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CC(CC1=CNC2=CC(F)=C(F)C=C12)NC(=O)C1(C(=O)[O-])CNCCO1	REAL000000123656	1	44	-1.0	-59.65	365.44	4.36	-55.29
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CCOC(=O)C(CC1CC=CCC1)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123662	0	54	-1.0	-59.65	423.55	11.15	-48.50
CCOC(=O)C(CC1=CC=CC(F)=C1)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123665	0	50	-1.0	-65.80	415.67	11.09	-54.70
CN(CC1=CC=CC(OC(F)F)=C1)C(=O)C1(C(=O)[O-])CNCCO1	REAL000000123666	1	41	-1.0	-47.64	334.50	3.86	-43.78
CN(CC1=CC=CC(OC(F)F)=C1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123669	0	45	-1.0	-60.20	368.31	9.71	-50.50
COC(=O)C(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1(C(F)(F)F)CC1	REAL000000123674	0	44	-1.0	-50.75	368.70	8.88	-41.87
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[NH3+][C@@H](CCC(=O)[O-])C(=O)NCCC([O-])(C(F)(F)F)C(F)(F)F	REAL000000123676	1	35	-1.0	-89.31	312.74	0.04	-89.27
[NH3+][C@@H](CC(=O)NCCC([O-])(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL000000123677	1	32	-1.0	-58.00	290.36	-0.55	-58.56
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CC1CC2=C(Cl)C=CC=C2C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123680	0	45	-1.0	-56.38	372.38	10.42	-45.96
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CC1=CC=C(CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C2CC2)C=C1	REAL000000123686	0	48	-1.0	-47.64	368.69	11.93	-35.72
CN1N=CC=C1CN(C(=O)C1CCC2(CC2C(=O)[O-])C1)C1CC1	REAL000000123687	0	45	-1.0	-60.01	345.20	8.80	-51.21
CC1=CC=CC(N2CCCC(NC(=O)C3(C(=O)[O-])CNCCO3)C2=O)=C1	REAL000000123688	1	48	-1.0	-55.37	380.04	4.28	-51.09
CC1=CC=CC(N2CCCC(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C2=O)=C1	REAL000000123691	0	52	-1.0	-73.17	412.49	10.06	-63.11
O=C([O-])C1CC12CCC(C(=O)NC1=CN=CC3=C1CCC3)C2	REAL000000123692	0	41	-1.0	-49.62	324.95	8.03	-41.59
O=C([O-])C1(C(=O)NCC(O)(C2=CC=CC=C2Cl)C(F)(F)F)CNCCO1	REAL000000123693	1	41	-1.0	-53.42	346.70	1.64	-51.78
O=C([O-])C1(C(=O)NCC(O)(C2=CC=C(Cl)C=C2)C(F)(F)F)CNCCO1	REAL000000123696	1	41	-1.0	-46.86	357.54	1.55	-45.31
CC(C)CCOCCCNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000123699	1	46	-1.0	-48.77	361.52	2.30	-46.48
CC(C)CCOCCCNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123700	0	50	-1.0	-56.69	391.40	8.03	-48.66
O=C([O-])C1(C(=O)NC(CO)CC2=CC=CC(F)=C2)CNCCO1	REAL000000123701	1	41	-1.0	-57.04	340.16	0.99	-56.05
O=C([O-])C1CC12CCC(C(=O)NC(CO)CC1=CC=CC(F)=C1)C2	REAL000000123702	0	45	-1.0	-59.65	370.14	6.72	-52.94
CCC1CCCC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000123703	0	50	-1.0	-46.50	365.73	9.45	-37.05
O=C([O-])C1CC12CCC(C(=O)NC1CCC3OCCC3C1)C2	REAL000000123704	0	46	-1.0	-58.46	350.73	7.12	-51.35
CC1(C)CC(=O)NC1CNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123705	0	45	-1.0	-52.93	349.88	4.71	-48.22
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)C(=O)C1(C(=O)[O-])CNCCO1)=C2	REAL000000123706	1	50	-1.0	-60.25	394.06	8.64	-51.61
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)C(=O)C1CCC3(CC3C(=O)[O-])C1)=C2	REAL000000123709	0	54	-1.0	-66.60	428.20	14.30	-52.30
O=C([O-])C1CC12CCC(C(=O)N1CC3CC1(CO)CCC3)C2	REAL000000123710	0	46	-1.0	-50.20	333.50	7.10	-43.10
CC1(C)SCCC1CNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000123711	1	41	-1.0	-48.96	323.21	2.80	-46.16
CC1(C)SCCC1CNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123712	0	45	-1.0	-47.68	350.95	8.45	-39.23
CC(CC1=CC=C(Cl)S1)NC(=O)C1(C(=O)[O-])CNCCO1	REAL000000123714	1	37	-1.0	-47.90	325.78	3.55	-44.35
CC(CC1=CC=C(Cl)S1)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123716	0	41	-1.0	-57.17	362.69	9.50	-47.67
O=C([O-])C1(C(=O)N[C@H]2C[C@H](C3=CC=CC(Br)=C3)C2)CNCCO1	REAL000000123717	1	41	-1.0	-48.10	346.86	4.91	-43.18
O=C([O-])C1CC12CCC(C(=O)N[C@H]1C[C@H](C3=CC=CC(Br)=C3)C1)C2	REAL000000123720	0	45	-1.0	-51.85	376.58	10.61	-41.24
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)C1(C(=O)[O-])CNCCO1)C2	REAL000000123721	1	47	-1.0	-52.07	321.95	4.83	-47.24
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)C1CCC3(CC3C(=O)[O-])C1)C2	REAL000000123722	0	51	-1.0	-57.95	359.66	10.82	-47.13
O=C([O-])C1(C(=O)NC2=CC=C(Br)C3=C2CCO3)CNCCO1	REAL000000123723	1	36	-1.0	-46.98	314.68	2.68	-44.30
O=C([O-])C1CC12CCC(C(=O)NC1=CC=C(Br)C3=C1CCO3)C2	REAL000000123726	0	40	-1.0	-47.72	341.71	8.40	-39.32
COC1=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=CC=C1N1CCCCC1=O	REAL000000123727	1	49	-1.0	-54.67	389.05	3.55	-51.12
COC1=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=CC=C1N1CCCCC1=O	REAL000000123730	0	53	-1.0	-56.35	417.46	9.30	-47.05
CC1(C)[C@H](OC2=CC=CC=C2)C[C@@H]1NC(=O)C1(C(=O)[O-])CNCCO1	REAL000000123731	1	48	-1.0	-48.09	373.40	4.56	-43.52
CC1(C)[C@H](OC2=CC=CC=C2)C[C@@H]1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123734	0	52	-1.0	-50.20	404.57	10.30	-39.89
COC(=O)C1=C2CN(C(=O)C3(C(=O)[O-])CNCCO3)CCN2C=C1	REAL000000123735	1	42	-1.0	-48.69	334.53	3.82	-44.87
COC(=O)C1=C2CN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CCN2C=C1	REAL000000123737	0	46	-1.0	-62.75	365.85	9.58	-53.17
O=C([O-])C1(C(=O)NCC23CC(CCC2)C(=O)N3)CNCCO1	REAL000000123738	1	42	-1.0	-51.55	322.58	-0.27	-51.82
O=C([O-])C1CC12CCC(C(=O)NCC13CC(CCC1)C(=O)N3)C2	REAL000000123739	0	46	-1.0	-61.82	352.54	5.60	-56.21
O=C([O-])C1CC12CCC(C(=O)NCC(O)CN1C=CC=N1)C2	REAL000000123740	0	42	-1.0	-61.66	348.46	3.55	-58.11
O=C([O-])C1(C(=O)NCC2(CO)CCC2CO)CNCCO1	REAL000000123745	1	42	-1.0	-56.05	327.74	-4.07	-60.11
O=C([O-])C1CC12CCC(C(=O)NCC1(CO)CCC1CO)C2	REAL000000123746	0	46	-1.0	-61.99	357.73	1.62	-60.37
O=C([O-])C1CC12CCC(C(=O)NC[C@]1(CO)COC[C@H]3CCCN31)C2	REAL000000123750	1	52	-1.0	-50.96	381.14	2.62	-48.34
O=C([O-])C1(C(=O)NCC2=NOC(C3=CC=C(Cl)C=C3)=C2)CNCCO1	REAL000000123753	1	40	-1.0	-52.98	355.51	3.96	-49.02
O=C([O-])C1CC12CCC(C(=O)NCC1=NOC(C3=CC=C(Cl)C=C3)=C1)C2	REAL000000123756	0	44	-1.0	-58.96	385.40	9.68	-49.28
O=C([O-])C1(C(=O)N2CCC(CC(F)F)CC2)CNCCO1	REAL000000123757	1	40	-1.0	-53.50	304.42	3.85	-49.65
O=C([O-])C1CC12CCC(C(=O)N1CCC(CC(F)F)CC1)C2	REAL000000123758	0	44	-1.0	-63.92	335.89	9.52	-54.41
CC1CN(C(=O)C2(C(=O)[O-])CNCCO2)CC2=C(Cl)C=CC=C21	REAL000000123759	1	41	-1.0	-48.14	325.13	5.30	-42.84
CC1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC2=C(Cl)C=CC=C21	REAL000000123761	0	45	-1.0	-52.02	356.72	11.03	-40.99
CC1OC2=CC=C(CNC(=O)C3(C(=O)[O-])CNCCO3)C=C2C1C	REAL000000123762	1	45	-1.0	-50.30	357.23	3.49	-46.81
CC1OC2=CC=C(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)C=C2C1C	REAL000000123764	0	49	-1.0	-57.46	387.13	9.22	-48.24
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)C1(C(=O)[O-])CNCCO1	REAL000000123766	1	44	-1.0	-47.43	357.41	4.08	-43.36
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123769	0	48	-1.0	-51.50	386.84	9.87	-41.63
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123773	0	48	-1.0	-51.94	389.80	9.14	-42.80
O=C([O-])C1CC12CCC(C(=O)N[C@H]1C[C@H]3CCCC[C@H]3C1)C2	REAL000000123776	0	48	-1.0	-62.03	354.43	9.45	-52.58
O=C([O-])C1CC12CCC(C(=O)NC1(C3=NC=CC(C(F)(F)F)=N3)CCC1)C2	REAL000000123779	0	46	-1.0	-63.03	385.02	8.14	-54.89
O=C([O-])C1(C(=O)NC2=CC=CC(C3CC3(F)F)=C2)CNCCO1	REAL000000123780	1	38	-1.0	-47.56	316.00	4.33	-43.23
O=C([O-])C1CC12CCC(C(=O)NC1=CC=CC(C3CC3(F)F)=C1)C2	REAL000000123781	0	42	-1.0	-57.68	347.71	10.22	-47.46
CC(C)CNC(=O)CCNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000123782	1	43	-1.0	-55.29	345.41	0.03	-55.26
CC(C)CNC(=O)CCNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123783	0	47	-1.0	-66.51	375.28	5.76	-60.75
O=C([O-])C1(C(=O)NCC2CCCC3=CC=CN=C32)CNCCO1	REAL000000123784	1	43	-1.0	-56.62	334.23	3.96	-52.66
O=C([O-])C1CC12CCC(C(=O)NCC1CCCC3=CC=CN=C31)C2	REAL000000123785	0	47	-1.0	-53.06	363.98	9.68	-43.38
COC(=O)C12CC(CNC(=O)C3(C(=O)[O-])CNCCO3)(C1)C2	REAL000000123788	1	41	-1.0	-49.84	337.78	2.72	-47.12
COC(=O)C12CC(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)(C1)C2	REAL000000123789	0	45	-1.0	-49.61	365.59	8.39	-41.22
O=C([O-])C1(C(=O)NCC(F)C2=CC=C(Br)C=C2)CNCCO1	REAL000000123790	1	37	-1.0	-46.03	329.46	3.77	-42.26
O=C([O-])C1CC12CCC(C(=O)NCC(F)C1=CC=C(Br)C=C1)C2	REAL000000123793	0	41	-1.0	-58.92	361.32	9.54	-49.38
COC(=O)C1=CC(F)=C(OC)C(NC(=O)C2(C(=O)[O-])CNCCO2)=C1	REAL000000123794	1	41	-1.0	-50.22	347.73	2.43	-47.79
COC(=O)C1=CC(F)=C(OC)C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL000000123797	0	45	-1.0	-49.69	379.22	8.19	-41.50
O=C([O-])C1(C(=O)N2CCC(NC3=CC=CN=C3)CC2)CNCCO1	REAL000000123798	1	45	-1.0	-50.01	344.79	2.47	-47.55
O=C([O-])C1CC12CCC(C(=O)N1CCC(NC3=CC=CN=C3)CC1)C2	REAL000000123800	0	49	-1.0	-62.81	375.61	8.14	-54.67
O=C([O-])C1(C(=O)NC2CCN(C3=NC4=CC=CC=C4N3)CC2)CNCCO1	REAL000000123801	1	49	-1.0	-53.94	385.55	3.93	-50.01
O=C([O-])C1CC12CCC(C(=O)NC1CCN(C3=NC4=CC=CC=C4N3)CC1)C2	REAL000000123804	0	53	-1.0	-62.49	415.45	9.66	-52.82
CCCC1C2=CC=CC=C2CCN1C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123806	0	51	-1.0	-55.74	372.77	11.89	-43.85
O=C([O-])C1(C(=O)NCC2CC3(CC3(F)F)C2)CNCCO1	REAL000000123808	1	38	-1.0	-49.64	318.11	3.02	-46.62
O=C([O-])C1CC12CCC(C(=O)NCC1CC3(CC3(F)F)C1)C2	REAL000000123809	0	42	-1.0	-57.48	347.96	8.75	-48.73
O=C(CCCNC(=O)C1(C(=O)[O-])CNCCO1)NC1CCC1	REAL000000123810	1	44	-1.0	-54.86	353.41	0.76	-54.10
O=C([O-])C1CC12CCC(C(=O)NCCCC(=O)NC1CCC1)C2	REAL000000123811	0	48	-1.0	-61.06	383.28	6.48	-54.58
O=C([O-])C1(C(=O)NCC2=CC=C(C3=CSC=C3)N=C2)CNCCO1	REAL000000123812	1	40	-1.0	-52.37	346.75	3.15	-49.22
O=C([O-])C1CC12CCC(C(=O)NCC1=CC=C(C3=CSC=C3)N=C1)C2	REAL000000123815	0	44	-1.0	-57.75	376.65	8.88	-48.87
CCOC(=O)C12CC(CNC(=O)C3(C(=O)[O-])CNCCO3)(C1)OC2(C)C	REAL000000123816	1	51	-1.0	-53.08	402.55	2.75	-50.33
CCOC(=O)C12CC(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)(C1)OC2(C)C	REAL000000123819	0	55	-1.0	-49.16	426.77	8.27	-40.88
COC(=O)COCC1CCCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000123820	1	47	-1.0	-59.29	367.47	3.75	-55.54
COC(=O)COCC1CCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000123823	0	51	-1.0	-52.91	398.56	9.53	-43.39
O=C([O-])C1(C(=O)NCC2=CN=C3SC=CN23)CNCCO1	REAL000000123824	1	34	-1.0	-50.73	301.22	2.05	-48.68
O=C([O-])C1CC12CCC(C(=O)NCC1=CN=C3SC=CN13)C2	REAL000000123825	0	38	-1.0	-58.40	331.11	7.77	-50.63
O=C([O-])C1(C(=O)NCCNC2=CC=C(F)C=N2)CNCCO1	REAL000000123826	1	38	-1.0	-49.06	320.16	0.48	-48.57
O=C([O-])C1CC12CCC(C(=O)NCCNC1=CC=C(F)C=N1)C2	REAL000000123827	0	42	-1.0	-60.13	350.07	6.20	-53.93
CC1=C(C)N=C2C=C(NC(=O)C3(C(=O)[O-])CNCCO3)C=CC2=N1	REAL000000123828	1	41	-1.0	-51.99	332.61	1.76	-50.23
CC1=C(C)N=C2C=C(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C=CC2=N1	REAL000000123830	0	45	-1.0	-61.03	362.79	7.54	-53.49
CC(C)CN(C(=O)C1CCC2(CC2C(=O)[O-])C1)C(C)C1=CC=CC=C1Cl	REAL000000123838	0	53	-1.0	-56.84	408.99	13.79	-43.04
CCOC(=O)C(CC(F)(F)F)NC(=O)C1(C(=O)[O-])CNCCO1	REAL000000123839	1	39	-1.0	-51.94	318.64	2.71	-49.23
CCOC(=O)C(CC(F)(F)F)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123842	0	43	-1.0	-59.47	353.04	7.86	-51.61
CCOC(=O)C(CC1CCOC1)NC(=O)C1(C(=O)[O-])CNCCO1	REAL000000123843	1	47	-1.0	-51.32	371.75	2.22	-49.10
CCOC(=O)C(CC1CCOC1)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123846	0	51	-1.0	-63.50	400.11	8.52	-54.99
CC(F)(F)C1=CC=CC(CNC(=O)C2(C(=O)[O-])CNCCO2)=C1	REAL000000123847	1	40	-1.0	-51.09	335.05	3.85	-47.23
CC(F)(F)C1=CC=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL000000123849	0	44	-1.0	-49.88	365.20	9.60	-40.29
CCOC(=O)C12CC(C)(C1)OC21CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL000000123851	1	55	-1.0	-59.14	407.08	4.69	-54.46
COC(=O)C1(C2CCN(C(=O)C3(C(=O)[O-])CNCCO3)CC2)CCOCC1	REAL000000123854	1	54	-1.0	-60.50	380.13	3.93	-56.57
COC(=O)C1(C2CCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CC2)CCOCC1	REAL000000123857	0	58	-1.0	-53.50	412.03	9.65	-43.85
CCCOC1=C2N=C(NC(=O)C3(C(=O)[O-])CNCCO3)SC2=CC=C1	REAL000000123858	1	43	-1.0	-53.19	362.35	3.78	-49.41
CCCOC1=C2N=C(NC(=O)C3CCC4(CC4C(=O)[O-])C3)SC2=CC=C1	REAL000000123861	0	47	-1.0	-51.35	390.11	9.51	-41.84
C[C@H](NC(=O)C1(C(=O)[O-])CNCCO1)C1=CC=C(F)C=C1OC(F)F	REAL000000123862	1	41	-1.0	-49.86	344.82	2.97	-46.89
C[C@H](NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=C(F)C=C1OC(F)F	REAL000000123865	0	45	-1.0	-55.05	372.55	8.66	-46.39
O=C([O-])C1(C(=O)NC2=CC(Cl)=C3OCOC3=C2)CNCCO1	REAL000000123866	1	34	-1.0	-49.49	300.71	1.36	-48.13
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CC1(C)OC2(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)CC1C2	REAL000000123870	0	46	-1.0	-47.73	353.27	6.97	-40.75
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C(=O)C1(C(=O)[O-])CNCCO1	REAL000000123873	1	58	-1.0	-48.20	423.93	8.58	-39.62
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123876	0	62	-1.0	-58.78	461.06	14.38	-44.41
COC(=O)C1CC(C)CN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000123877	1	43	-1.0	-46.52	323.62	3.74	-42.78
COC(=O)C1CC(C)CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000123878	0	47	-1.0	-47.16	363.59	9.32	-37.84
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COC(=O)C1=CC=C(NC(=O)C2(C(=O)[O-])CNCCO2)C=C1Br	REAL000000123882	1	37	-1.0	-46.58	328.82	3.34	-43.24
COC(=O)C1=CC=C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1Br	REAL000000123885	0	41	-1.0	-54.00	357.02	9.10	-44.91
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CC1=CC=C(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1C	REAL000000123890	0	44	-1.0	-56.66	352.14	9.31	-47.36
CC1(C)C(CNC(=O)C2(C(=O)[O-])CNCCO2)CCS1(=O)=O	REAL000000123891	1	43	-1.0	-53.48	341.85	-0.66	-54.15
CC1(C)C(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CCS1(=O)=O	REAL000000123893	0	47	-1.0	-59.83	367.40	4.93	-54.91
O=C([O-])C1(C(=O)N2CCN3N=CC(Cl)=C3C2)CNCCO1	REAL000000123894	1	35	-1.0	-44.85	292.00	1.89	-42.95
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O=C([O-])C1(C(=O)N2CCC3CCCCCC3C2)CNCCO1	REAL000000123896	1	47	-1.0	-49.52	331.39	5.15	-44.37
O=C([O-])C1CC12CCC(C(=O)N1CCC3CCCCCC3C1)C2	REAL000000123897	0	51	-1.0	-45.96	363.49	10.96	-35.00
O=C([O-])C1(C(=O)NCCN2C=C(C3CCOC3)C=N2)CNCCO1	REAL000000123898	1	45	-1.0	-51.88	363.31	1.06	-50.81
O=C([O-])C1CC12CCC(C(=O)NCCN1C=C(C3CCOC3)C=N1)C2	REAL000000123900	0	49	-1.0	-63.36	393.22	6.78	-56.58
CN(CC1CC(F)(F)C1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123901	0	41	-1.0	-58.38	332.22	9.40	-48.98
COC1=CC=CC([C@@H]2[C@@H](NC(=O)C3CCC4(CC4C(=O)[O-])C3)CCN2C2CC2)=C1	REAL000000123905	1	58	-1.0	-58.92	442.48	8.97	-49.95
COC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL000000123906	1	47	-1.0	-56.49	361.12	5.15	-51.34
COC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000123908	0	51	-1.0	-57.16	394.56	10.91	-46.25
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COC(=O)C1=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=CN=C1C	REAL000000123910	1	39	-1.0	-47.47	323.57	1.60	-45.88
COC(=O)C1=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=CN=C1C	REAL000000123911	0	43	-1.0	-51.42	352.32	7.35	-44.07
COC1=CC=C2C(=C1)N(C(=O)C1(C(=O)[O-])CNCCO1)CC2C	REAL000000123912	1	42	-1.0	-57.24	326.87	4.28	-52.96
COC1=CC=C2C(=C1)N(C(=O)C1CCC3(CC3C(=O)[O-])C1)CC2C	REAL000000123913	0	46	-1.0	-60.15	361.05	10.03	-50.12
CCOC1=CC=C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C(OCC)=C1	REAL000000123915	0	49	-1.0	-47.93	387.52	8.52	-39.41
CCC(NC(=O)CNC(=O)C1(C(=O)[O-])CNCCO1)C1=CC=CC=C1	REAL000000123916	1	47	-1.0	-52.75	374.14	2.35	-50.40
CCC(NC(=O)CNC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=CC=C1	REAL000000123919	0	51	-1.0	-57.13	404.04	8.08	-49.05
N#CC1CN(C(=O)C2(C(=O)[O-])CNCCO2)CCC1(F)F	REAL000000123920	1	35	-1.0	-41.70	288.09	2.69	-39.01
N#CC1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CCC1(F)F	REAL000000123921	0	39	-1.0	-48.86	319.15	8.45	-40.41
O=C([O-])C1(C(=O)N2CC[C@H]3CCNC(=O)[C@H]3C2)CNCCO1	REAL000000123922	1	42	-1.0	-55.13	305.04	0.55	-54.58
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COC1=CC(CNC(=O)C2(C(=O)[O-])CNCCO2)=CC=C1Cl	REAL000000123924	1	38	-1.0	-47.67	327.38	2.19	-45.49
COC1=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=CC=C1Cl	REAL000000123926	0	42	-1.0	-56.92	359.26	7.96	-48.97
O=C([O-])C1(C(=O)N2CCC(CO)(C3CCOCC3)C2)CNCCO1	REAL000000123936	1	49	-1.0	-56.06	350.47	-0.01	-56.07
O=C([O-])C1CC12CCC(C(=O)N1CCC(CO)(C3CCOCC3)C1)C2	REAL000000123939	0	53	-1.0	-60.49	383.55	5.75	-54.74
O=C([O-])C1CC12CCC(C(=O)N1C[C@@H](CO)[C@H](C3CC3)C1)C2	REAL000000123940	0	46	-1.0	-50.34	352.74	6.63	-43.71
O=C([O-])C1(C(=O)NC2CCCN(C3=CC=C(F)C(F)=C3)C2=O)CNCCO1	REAL000000123941	1	45	-1.0	-54.74	371.36	3.74	-51.00
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O=C([O-])C1(C(=O)NCC2(C3=CC=CC=C3)NC(=O)NC2=O)CNCCO1	REAL000000123945	1	43	-1.0	-51.86	355.80	-1.28	-53.15
O=C([O-])C1CC12CCC(C(=O)NCC1(C3=CC=CC=C3)NC(=O)NC1=O)C2	REAL000000123948	0	47	-1.0	-58.42	385.79	4.49	-53.93
O=C([O-])C1(C(=O)NCC2=CNN=C2C2=CC=CC(F)=C2)CNCCO1	REAL000000123949	1	41	-1.0	-54.38	343.46	2.71	-51.67
O=C([O-])C1CC12CCC(C(=O)NCC1=CNN=C1C1=CC=CC(F)=C1)C2	REAL000000123952	0	45	-1.0	-59.26	373.15	8.89	-50.37
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123955	0	56	-1.0	-57.16	422.65	12.58	-44.58
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2(C(=O)[O-])CNCCO2)N=N1	REAL000000123956	1	45	-1.0	-52.13	373.07	-4.47	-56.61
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2CCC3(CC3C(=O)[O-])C2)N=N1	REAL000000123959	0	49	-1.0	-58.89	400.39	1.23	-57.65
O=C([O-])C1CC12CCC(C(=O)NC[C@]13CCC[C@H]1CCO3)C2	REAL000000123960	0	46	-1.0	-60.11	350.23	7.34	-52.77
NC1=CC=C2CCN(C(=O)C3(C(=O)[O-])CNCCO3)CC2=C1	REAL000000123961	1	40	-1.0	-49.81	308.82	2.34	-47.47
COC(=O)C1=CC(CNC(=O)C2(C(=O)[O-])CNCCO2)=C(C)S1	REAL000000123962	1	40	-1.0	-48.21	347.34	2.83	-45.38
COC(=O)C1=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=C(C)S1	REAL000000123965	0	44	-1.0	-61.36	379.24	8.59	-52.76
CC(C)N1C=C([C@@H]2CN(C(=O)C3(C(=O)[O-])CNCCO3)C[C@H]2CO)C=N1	REAL000000123966	1	51	-1.0	-60.44	393.33	1.53	-58.91
CC(C)N1C=C([C@@H]2CN(C(=O)C3CCC4(CC4C(=O)[O-])C3)C[C@H]2CO)C=N1	REAL000000123969	0	55	-1.0	-59.58	425.99	7.22	-52.36
COC(=O)N1CCN(C(=O)C2(C(=O)[O-])CNCCO2)C[C@@H]1C	REAL000000123970	1	42	-1.0	-47.42	320.07	1.98	-45.44
COC(=O)N1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C[C@@H]1C	REAL000000123971	0	46	-1.0	-63.87	352.31	7.67	-56.21
COC(=O)C(CC1=CC=CS1)NC(=O)C1(C(=O)[O-])CNCCO1	REAL000000123972	1	40	-1.0	-50.72	346.32	3.32	-47.40
COC(=O)C(CC1=CC=CS1)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123975	0	44	-1.0	-59.89	379.28	9.14	-50.75
COCC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)(C(=O)OC)C1=CC=CC=C1	REAL000000123978	0	51	-1.0	-60.63	408.58	8.73	-51.90
CCN(CC(=O)OCC1=CC=CC=C1)C(=O)C1(C(=O)[O-])CNCCO1	REAL000000123979	1	46	-1.0	-57.95	372.92	6.63	-51.32
CCN(CC(=O)OCC1=CC=CC=C1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000123982	0	50	-1.0	-65.48	402.24	12.25	-53.23
O=C([O-])C1CC12CCC(C(=O)N1CCOCC(C3CC3)C1)C2	REAL000000123986	0	46	-1.0	-49.65	342.74	8.63	-41.02
O=C([O-])C1CC12CCC(C(=O)NC13CCOC1CCCCC3)C2	REAL000000123987	0	49	-1.0	-55.78	354.54	7.83	-47.96
O=C([O-])C1(C(=O)N2CCC3OC(=O)OC3C2)CNCCO1	REAL000000123990	1	36	-1.0	-45.43	281.75	1.53	-43.90
O=C([O-])C1CC12CCC(C(=O)N1CCC3OC(=O)OC3C1)C2	REAL000000123991	0	40	-1.0	-51.17	314.65	7.42	-43.74
COC(=O)C(C)(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C(C)C	REAL000000123992	0	46	-1.0	-56.37	350.01	7.82	-48.55
COC(=O)CC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL000000123997	0	47	-1.0	-59.93	391.65	10.27	-49.67
CC1CCC(NC(=O)C2(C(=O)[O-])CNCCO2)CC2=CC=CC=C21	REAL000000123998	1	47	-1.0	-49.84	353.64	5.11	-44.73
CC1CCC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CC2=CC=CC=C21	REAL000000124000	0	51	-1.0	-60.25	385.47	10.89	-49.36
O=C([O-])C1CC12CCC(C(=O)NC1(C3=NC=CC=N3)CCOC1)C2	REAL000000124002	0	44	-1.0	-54.12	347.92	6.12	-48.00
CC(C)(CNC(=O)C1(C(=O)[O-])CNCCO1)C1=COC(C2=CC=CC=C2)=N1	REAL000000124003	1	49	-1.0	-56.96	395.49	3.07	-53.89
CC(C)(CNC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=COC(C2=CC=CC=C2)=N1	REAL000000124006	0	53	-1.0	-65.71	425.40	8.80	-56.92
COC(=O)C1CN(C(=O)C2(C(=O)[O-])CNCCO2)CC(F)(F)C1	REAL000000124007	1	40	-1.0	-50.02	321.35	2.99	-47.03
COC(=O)C1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC(F)(F)C1	REAL000000124009	0	44	-1.0	-57.14	355.99	8.89	-48.25
COC(=O)C1(C2CCCN(C(=O)C3(C(=O)[O-])CNCCO3)C2)CC(F)(F)C1	REAL000000124010	1	50	-1.0	-57.84	373.01	5.37	-52.48
COC(=O)C1(C2CCCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)C2)CC(F)(F)C1	REAL000000124013	0	54	-1.0	-54.82	407.14	11.09	-43.74
O=C([O-])C1(C(=O)N2C[C@@H](F)[C@@H](C3=CC=CC=C3)C2)CNCCO1	REAL000000124014	1	41	-1.0	-59.97	321.83	5.03	-54.94
O=C([O-])C1CC12CCC(C(=O)N1C[C@@H](F)[C@@H](C3=CC=CC=C3)C1)C2	REAL000000124015	0	45	-1.0	-50.81	351.68	10.65	-40.16
O=C([O-])C1CC12CCC(C(=O)NC1(C3CCCO3)CCOCC1)C2	REAL000000124017	0	50	-1.0	-58.56	368.60	6.64	-51.92
CN1N=CC=C1[C@H]1[C@H](CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CCCN1C	REAL000000124021	1	56	-1.0	-61.91	421.96	7.35	-54.56
COC(=O)C[C@@H](NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1CCCCC1	REAL000000124024	0	53	-1.0	-54.01	401.89	10.35	-43.66
CN(CCC(=O)OCC1=CC=CC=C1)C(=O)C1(C(=O)[O-])CNCCO1	REAL000000124025	1	46	-1.0	-52.92	371.29	6.13	-46.79
CN(CCC(=O)OCC1=CC=CC=C1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124028	0	50	-1.0	-61.64	406.39	11.83	-49.81
O=C([O-])C1(C(=O)NCCC2=NC=CC(C(F)(F)F)=N2)CNCCO1	REAL000000124029	1	38	-1.0	-52.70	335.25	1.36	-51.35
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O=C([O-])C1CC12CCC(C(=O)NC1=CN(CCN3CCOC3=O)N=C1)C2	REAL000000124036	0	47	-1.0	-75.09	387.71	6.75	-68.34
COC(=O)C1=CN(CC2CN(C(=O)C3(C(=O)[O-])CNCCO3)CCO2)N=N1	REAL000000124037	1	47	-1.0	-58.44	383.57	0.92	-57.52
COC(=O)C1=CN(CC2CN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CCO2)N=N1	REAL000000124040	0	51	-1.0	-58.44	413.51	6.61	-51.84
COC(=O)C1=NN(C2CCCN(C(=O)C3(C(=O)[O-])CNCCO3)C2)C=C1	REAL000000124041	1	47	-1.0	-54.17	370.80	3.64	-50.53
COC(=O)C1=NN(C2CCCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)C2)C=C1	REAL000000124044	0	51	-1.0	-54.78	404.08	9.49	-45.28
CN(C[C@@H]1CCCN(C)[C@H]1C1=CC=NN1C)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124048	1	59	-1.0	-64.11	434.93	9.17	-54.94
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CC1=CC=NC(CCNC(=O)C2CCC3(CC3C(=O)[O-])C2)=N1	REAL000000124054	0	42	-1.0	-62.43	346.87	6.68	-55.75
CC1CC(C(N)=O)CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000124055	0	45	-1.0	-47.69	344.88	5.36	-42.33
O=C([O-])C1(C(=O)N2CCC(C3=CC=CC=C3C(F)(F)F)C2)CNCCO1	REAL000000124056	1	44	-1.0	-52.35	351.00	5.92	-46.43
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CCOC1=CC=CC=C1OC1CCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000124060	1	49	-1.0	-56.38	376.79	4.85	-51.53
CCOC1=CC=CC=C1OC1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000124063	0	53	-1.0	-50.69	409.06	10.48	-40.21
O=C([O-])C1CC12CCC(C(=O)N1CCCC1C1=C(F)C=CC=C1Cl)C2	REAL000000124066	0	45	-1.0	-52.98	364.71	11.81	-41.17
CC1=CC(C)=CC(C(CO)NC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL000000124067	0	48	-1.0	-56.76	382.83	7.13	-49.62
O=C([O-])C1CC12CCC(C(=O)N1C[C@@H](F)C[C@@H]1C(F)(F)F)C2	REAL000000124068	0	38	-1.0	-56.63	312.74	8.46	-48.17
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O=C([O-])C1(C(=O)NCC2=CC=C(C3=NNC=N3)C=C2)CNCCO1	REAL000000124086	1	40	-1.0	-55.47	338.97	3.24	-52.23
O=C([O-])C1CC12CCC(C(=O)NCC1=CC=C(C3=NNC=N3)C=C1)C2	REAL000000124088	0	44	-1.0	-62.63	368.87	8.96	-53.67
O=C([O-])C1(C(=O)NCC2=NOC(COC3=CC=C(Cl)C=C3)=N2)CNCCO1	REAL000000124089	1	43	-1.0	-51.84	380.01	0.93	-50.92
O=C([O-])C1(C(=O)N2CCN(C3=CC=NC=N3)CC2)CNCCO1	REAL000000124092	1	41	-1.0	-52.01	315.84	2.54	-49.47
O=C([O-])C1CC12CCC(C(=O)N1CCN(C3=CC=NC=N3)CC1)C2	REAL000000124093	0	45	-1.0	-61.24	350.30	8.32	-52.91
CC1=NC2=C(CC[C@H]3[C@@H]2CCCN3C(=O)C2CCC3(CC3C(=O)[O-])C2)N1	REAL000000124097	0	52	-1.0	-58.66	386.11	9.86	-48.80
CC1=NC2=C(N1)[C@H]1CCCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)[C@H]1CC2	REAL000000124097	1	52	-1.0	-57.00	388.75	9.95	-47.05
CN1N=C(CNC(=O)C2(C(=O)[O-])CNCCO2)C(Br)=C1Cl	REAL000000124099	1	34	-1.0	-50.26	323.33	1.02	-49.24
CN1N=C(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C(Br)=C1Cl	REAL000000124102	0	38	-1.0	-56.90	353.24	6.75	-50.16
O=C([O-])C1CC12CCC(C(=O)NC1CCC3(CCC3)CC1)C2	REAL000000124103	0	48	-1.0	-57.75	359.98	9.47	-48.28
NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124105	0	46	-1.0	-56.51	377.26	3.22	-53.29
CC(CC1=CN(C)C2=CC=CC=C12)NC(=O)C1(C(=O)[O-])CNCCO1	REAL000000124106	1	47	-1.0	-57.39	375.10	5.94	-51.44
CC(CC1=CN(C)C2=CC=CC=C12)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124109	0	51	-1.0	-63.35	409.83	11.55	-51.81
O=C([O-])C1CC12CCC(C(=O)NC1=CC=NN1C1CCCC1)C2	REAL000000124110	0	45	-1.0	-48.00	350.83	9.56	-38.44
O=C([O-])C1(C(=O)NCCC2CCOC3=CC=CC=C32)CNCCO1	REAL000000124111	1	45	-1.0	-50.69	352.21	3.47	-47.22
O=C([O-])C1CC12CCC(C(=O)NCCC1CCOC3=CC=CC=C31)C2	REAL000000124113	0	49	-1.0	-59.19	382.23	9.19	-50.01
NC1=CC=C2CN(C(=O)C3(C(=O)[O-])CNCCO3)CCC2=C1	REAL000000124114	1	40	-1.0	-49.76	308.80	2.34	-47.42
CN1N=C(C(F)(F)F)C(Cl)=C1CNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000124115	1	37	-1.0	-43.56	338.08	1.29	-42.27
CN1N=C(C(F)(F)F)C(Cl)=C1CNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124118	0	41	-1.0	-57.73	369.95	7.06	-50.67
CC1(C)C[C@H](NC(=O)C2(C(=O)[O-])CNCCO2)C2=CC(F)=CC=C2O1	REAL000000124119	1	45	-1.0	-49.98	349.49	3.34	-46.63
CC1(C)C[C@H](NC(=O)C2CCC3(CC3C(=O)[O-])C2)C2=CC(F)=CC=C2O1	REAL000000124122	0	49	-1.0	-56.52	379.56	9.09	-47.43
CN1C2=CC=CC=C2C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CS1(=O)=O	REAL000000124125	0	47	-1.0	-69.31	376.33	5.72	-63.59
CN1CCC2=C(C=C(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)C(=O)N2)C1	REAL000000124129	1	50	-1.0	-67.94	390.85	4.35	-63.60
O=C([O-])C1(C(=O)N2CCC3(CCC(=O)N3)CC2)CNCCO1	REAL000000124130	1	42	-1.0	-47.28	313.74	0.90	-46.38
O=C([O-])C1CC12CCC(C(=O)N1CCC3(CCC(=O)N3)CC1)C2	REAL000000124131	0	46	-1.0	-60.45	348.24	6.78	-53.67
O=C([O-])C1(C(=O)NCC2=CC=C3NCCOC3=C2)CNCCO1	REAL000000124132	1	41	-1.0	-52.31	332.70	0.42	-51.90
O=C([O-])C1CC12CCC(C(=O)NCCCOCC(F)F)C2	REAL000000124133	0	41	-1.0	-60.56	343.85	6.22	-54.34
CC1(C)OC2=CC=C(CNC(=O)C3(C(=O)[O-])CNCCO3)C=C2O1	REAL000000124134	1	43	-1.0	-52.26	352.06	2.66	-49.60
CC1(C)OC2=CC=C(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)C=C2O1	REAL000000124136	0	47	-1.0	-59.29	381.90	8.38	-50.92
O=C([O-])C1CC12CCC(C(=O)NCC1CC(F)(F)CO1)C2	REAL000000124137	0	39	-1.0	-47.86	321.76	5.56	-42.31
O=C([O-])C1(C(=O)NC(CF)C2=CC=CC(Br)=C2)CNCCO1	REAL000000124138	1	37	-1.0	-51.57	326.27	3.94	-47.63
O=C([O-])C1CC12CCC(C(=O)NC(CF)C1=CC=CC(Br)=C1)C2	REAL000000124141	0	41	-1.0	-54.31	354.01	9.62	-44.69
CN(C(=O)C1CCC2(CC2C(=O)[O-])C1)C(CF)C1=CC=C(Br)C=C1	REAL000000124146	0	44	-1.0	-60.56	365.71	11.12	-49.44
CN(C)C1=NC=CC2=C1CCN(C(=O)C1(C(=O)[O-])CNCCO1)C2	REAL000000124147	1	45	-1.0	-50.22	344.59	3.46	-46.77
CN(C)C1=NC=CC2=C1CCN(C(=O)C1CCC3(CC3C(=O)[O-])C1)C2	REAL000000124149	0	49	-1.0	-60.55	377.10	9.20	-51.35
CC(C)C[C@H](CS(C)(=O)=O)NC(=O)C1(C(=O)[O-])CNCCO1	REAL000000124150	1	45	-1.0	-63.89	345.98	2.01	-61.89
CC(C)C[C@H](CS(C)(=O)=O)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124152	0	49	-1.0	-59.51	378.02	7.34	-52.17
O=C([O-])C1(C(=O)NC2CC3CCCCCC3C2)CNCCO1	REAL000000124153	1	47	-1.0	-51.45	344.87	4.43	-47.02
O=C([O-])C1CC12CCC(C(=O)NC1CC3CCCCCC3C1)C2	REAL000000124154	0	51	-1.0	-46.40	372.92	10.11	-36.29
C[C@@H]1CN(C(=O)C2(C(=O)[O-])CNCCO2)C[C@H](C2=CC=C(F)C=C2)O1	REAL000000124155	1	45	-1.0	-45.55	353.55	4.61	-40.95
C[C@@H]1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C[C@H](C2=CC=C(F)C=C2)O1	REAL000000124158	0	49	-1.0	-51.35	383.88	10.19	-41.17
CCCN1C=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=N1	REAL000000124159	0	44	-1.0	-61.00	359.62	7.43	-53.57
O=C([O-])C1(C(=O)N[C@@H]2CC3(CCCC3)OC3=CC=C(F)C=C32)CNCCO1	REAL000000124160	1	49	-1.0	-53.28	375.63	5.44	-47.84
O=C([O-])C1CC12CCC(C(=O)N[C@@H]1CC3(CCCC3)OC3=CC=C(F)C=C31)C2	REAL000000124163	0	53	-1.0	-48.13	408.71	11.41	-36.73
O=C([O-])C1CC12CCC(C(=O)NC(CC1=CC=CC=C1)CC1CCCCC1)C2	REAL000000124166	0	60	-1.0	-59.54	447.87	13.56	-45.98
CN1N=C(C(C)(C)NC(=O)C2CCC3(CC3C(=O)[O-])C2)C2=CC=CC=C21	REAL000000124169	0	50	-1.0	-58.25	390.24	9.17	-49.08
O=C([O-])C1(C(=O)NC2=CC(Cl)=C3OCCCOC3=C2)CNCCO1	REAL000000124170	1	40	-1.0	-48.92	334.82	2.62	-46.31
O=C([O-])C1CC12CCC(C(=O)NC1=CC(Cl)=C3OCCCOC3=C1)C2	REAL000000124173	0	44	-1.0	-59.78	366.81	8.47	-51.31
COC1=CC=C(C(CF)NC(=O)C2(C(=O)[O-])CNCCO2)C=C1	REAL000000124174	1	41	-1.0	-52.42	334.46	2.64	-49.78
COC1=CC=C(C(CF)NC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1	REAL000000124175	0	45	-1.0	-61.03	364.34	8.37	-52.66
O=C([O-])C1(C(=O)NCCN2C=CC(C3CC3)=N2)CNCCO1	REAL000000124176	1	41	-1.0	-50.80	336.08	2.40	-48.40
O=C([O-])C1CC12CCC(C(=O)NCCN1C=CC(C3CC3)=N1)C2	REAL000000124177	0	45	-1.0	-64.06	367.92	8.17	-55.89
O=C([O-])C1(C(=O)N[C@H]2CC3(CCC3)OC3=CC=C(F)C=C32)CNCCO1	REAL000000124178	1	46	-1.0	-48.24	355.14	4.11	-44.12
O=C([O-])C1CC12CCC(C(=O)N[C@H]1CC3(CCC3)OC3=CC=C(F)C=C31)C2	REAL000000124181	0	50	-1.0	-66.40	389.50	9.84	-56.56
O=C([O-])C1(C(=O)NC2=NNC(C3=CC=CC=C3C(F)(F)F)=C2)CNCCO1	REAL000000124182	1	41	-1.0	-51.63	347.80	4.14	-47.49
O=C([O-])C1CC12CCC(C(=O)NC1=NNC(C3=CC=CC=C3C(F)(F)F)=C1)C2	REAL000000124185	0	45	-1.0	-50.31	375.54	9.87	-40.44
O=C([O-])C1(C(=O)NCC2=CNN=C2C2=CC=CC=C2)CNCCO1	REAL000000124186	1	41	-1.0	-51.52	333.68	2.56	-48.96
O=C([O-])C1CC12CCC(C(=O)NCC1=CNN=C1C1=CC=CC=C1)C2	REAL000000124188	0	45	-1.0	-59.22	367.33	8.85	-50.37
O=C([O-])C1(C(=O)NC2=CC=C(OCC3CC3)C=C2F)CNCCO1	REAL000000124189	1	42	-1.0	-45.88	344.79	4.10	-41.78
O=C([O-])C1CC12CCC(C(=O)NC1=CC=C(OCC3CC3)C=C1F)C2	REAL000000124191	0	46	-1.0	-47.76	373.89	9.90	-37.86
O=C([O-])C1(C(=O)NC2=NC(N3CCOCC3)=NN2)CNCCO1	REAL000000124192	1	40	-1.0	-43.25	320.14	1.84	-41.41
O=C([O-])C1CC12CCC(C(=O)NC1=NC(N3CCOCC3)=NN1)C2	REAL000000124193	0	44	-1.0	-47.84	349.88	7.62	-40.22
CN(CC1=CN=C2C=CC(Cl)=CN12)C(=O)C1(C(=O)[O-])CNCCO1	REAL000000124194	1	40	-1.0	-46.56	333.69	5.24	-41.33
CN(CC1=CN=C2C=CC(Cl)=CN12)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124197	0	44	-1.0	-59.37	367.95	10.85	-48.52
CC(C)C[C@@H](CS(C)(=O)=O)NC(=O)C1(C(=O)[O-])CNCCO1	REAL000000124198	1	45	-1.0	-63.81	344.81	2.79	-61.03
CC(C)C[C@@H](CS(C)(=O)=O)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124200	0	49	-1.0	-69.34	381.96	7.32	-62.02
O=C([O-])C1(C(=O)NC(CF)C2=CC=C(Cl)C=C2)CNCCO1	REAL000000124201	1	37	-1.0	-50.37	321.70	3.84	-46.53
O=C([O-])C1CC12CCC(C(=O)NC(CF)C1=CC=C(Cl)C=C1)C2	REAL000000124203	0	41	-1.0	-59.40	351.58	9.57	-49.84
O=C([O-])C1(C(=O)NCC2=NC3=C(CCCCC3)S2)CNCCO1	REAL000000124204	1	43	-1.0	-51.90	347.73	2.64	-49.26
O=C([O-])C1CC12CCC(C(=O)NCC1=NC3=C(CCCCC3)S1)C2	REAL000000124206	0	47	-1.0	-56.31	379.60	8.41	-47.90
O=C([O-])C1(C(=O)NC(CO)CC2=CC=CS2)CNCCO1	REAL000000124207	1	38	-1.0	-51.82	325.68	-0.04	-51.87
O=C([O-])C1CC12CCC(C(=O)NC(CO)CC1=CC=CS1)C2	REAL000000124208	0	42	-1.0	-58.31	355.58	5.69	-52.62
O=C([O-])C1CC12CCC(C(=O)NC1CCCC13CCCC3)C2	REAL000000124209	0	48	-1.0	-46.88	352.14	10.24	-36.63
CC1=CC([C@@H](C)NC(=O)C2(C(=O)[O-])CNCCO2)=CC=C1Br	REAL000000124210	1	40	-1.0	-48.75	340.82	4.43	-44.32
CC1=CC([C@@H](C)NC(=O)C2CCC3(CC3C(=O)[O-])C2)=CC=C1Br	REAL000000124213	0	44	-1.0	-46.65	368.58	10.09	-36.56
O=C([O-])C1(C(=O)N2CCN(C3=CC(F)=CC(F)=C3)CC2)CNCCO1	REAL000000124214	1	43	-1.0	-45.36	336.33	3.35	-42.00
O=C([O-])C1CC12CCC(C(=O)N1CCN(C3=CC(F)=CC(F)=C3)CC1)C2	REAL000000124217	0	47	-1.0	-53.26	368.10	9.12	-44.14
COC1=CC=C(NC(=O)N2CCN(C(=O)C3(C(=O)[O-])CNCCO3)CC2)C=C1	REAL000000124219	1	51	-1.0	-52.08	388.81	3.24	-48.84
CC1(C)CCC2=C(C1)SC(CNC(=O)C1(C(=O)[O-])CNCCO1)=N2	REAL000000124222	1	46	-1.0	-51.27	366.08	2.99	-48.28
CC1(C)CCC2=C(C1)SC(CNC(=O)C1CCC3(CC3C(=O)[O-])C1)=N2	REAL000000124225	0	50	-1.0	-56.01	397.95	8.76	-47.26
CC(CCC1=CC=CC=C1F)NC(=O)C1(C(=O)[O-])CNCCO1	REAL000000124226	1	43	-1.0	-50.76	350.47	4.91	-45.85
CC(CCC1=CC=CC=C1F)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124227	0	47	-1.0	-58.19	382.04	10.71	-47.49
O=C([O-])C1(C(=O)NCC2=CC=C(I)C=C2)CNCCO1	REAL000000124229	1	34	-1.0	-46.27	309.64	3.41	-42.86
O=C([O-])C1CC12CCC(C(=O)NCC1=CC=C(I)C=C1)C2	REAL000000124232	0	38	-1.0	-55.54	341.50	9.18	-46.36
O=C([O-])C1CC12CCC(C(=O)N1CCCC1CC1=C3C=CC=CC3=CC=C1)C2	REAL000000124235	0	54	-1.0	-50.24	412.29	13.77	-36.47
CC1=COC(C2CCCN2C(=O)C2CCC3(CC3C(=O)[O-])C2)=N1	REAL000000124236	0	44	-1.0	-55.00	348.70	6.22	-48.78
O=C([O-])C1(C(=O)N2CCC3=CC=C4C=CC=CC4=C3C2)CNCCO1	REAL000000124237	1	44	-1.0	-49.99	336.84	6.52	-43.46
O=C([O-])C1CC12CCC(C(=O)N1CCC3=CC=C4C=CC=CC4=C3C1)C2	REAL000000124239	0	48	-1.0	-51.75	367.87	12.27	-39.48
O=C([O-])C1(C(=O)N2CC3=CC=CC4=C3C(CCC4)C2)CNCCO1	REAL000000124240	1	45	-1.0	-51.25	331.36	5.79	-45.47
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CC(C)(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=NC2=CC=CC=C2N1	REAL000000124247	0	47	-1.0	-57.83	372.27	8.16	-49.67
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COC(=O)[C@H]1CC[C@H](NC(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000124385	0	47	-1.0	-58.04	369.82	8.40	-49.64
COC(=O)CCCCCCCCCNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000124386	1	54	-1.0	-53.16	429.88	5.65	-47.52
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CCCN(CC1=CC=C(F)C=C1F)C(=O)C1(C(=O)[O-])CNCCO1	REAL000000124407	1	43	-1.0	-50.31	339.97	6.08	-44.24
CCCN(CC1=CC=C(F)C=C1F)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124410	0	47	-1.0	-61.59	375.57	11.89	-49.70
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COC(=O)CCOCCNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000124425	1	40	-1.0	-52.74	334.85	0.28	-52.46
COC(=O)CCOCCNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124426	0	44	-1.0	-59.72	364.72	6.01	-53.71
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COC(=O)C1=CC=C(C2(CNC(=O)C3(C(=O)[O-])CNCCO3)CC2)C=C1	REAL000000124803	1	47	-1.0	-56.81	381.93	4.88	-51.93
COC(=O)C1=CC=C(C2(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)CC2)C=C1	REAL000000124806	0	51	-1.0	-57.92	418.44	10.73	-47.18
COC1=CC2=C(C=C1CNC(=O)C1(C(=O)[O-])CNCCO1)OCO2	REAL000000124808	1	41	-1.0	-52.53	338.29	0.38	-52.15
COC1=CC2=C(C=C1CNC(=O)C1CCC3(CC3C(=O)[O-])C1)OCO2	REAL000000124810	0	45	-1.0	-59.33	368.20	6.11	-53.22
COC(=O)[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CNCCO2)CN1	REAL000000124811	1	39	-1.0	-48.55	317.47	-1.58	-50.13
O=C([O-])C1CC12CCC(C(=O)N(CC1=CC=CN=C1)C1CC1)C2	REAL000000124812	0	44	-1.0	-47.58	339.71	9.20	-38.38
CC(CC1=CC=CC=C1)(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C(N)=O	REAL000000124818	0	48	-1.0	-64.47	378.05	6.12	-58.35
CCN1C=CN=C1CN(C)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124820	0	44	-1.0	-66.97	348.66	9.29	-57.68
CC1=CC(CN(C)C(=O)C2(C(=O)[O-])CNCCO2)=CC=C1Br	REAL000000124821	1	40	-1.0	-51.26	332.84	5.61	-45.65
CC1=CC(CN(C)C(=O)C2CCC3(CC3C(=O)[O-])C2)=CC=C1Br	REAL000000124824	0	44	-1.0	-57.72	368.57	11.33	-46.39
CC1=CC=C(C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C2=CC=C(Cl)C=C2)C=C1	REAL000000124829	0	51	-1.0	-58.08	426.89	13.35	-44.73
C=CCN(CC1=CC=CC(OC)=C1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124831	0	49	-1.0	-57.67	387.39	10.77	-46.90
CC1(C)CC(CCNC(=O)C2(C(=O)[O-])CNCCO2)C(=O)N1	REAL000000124835	1	44	-1.0	-60.22	341.40	-0.29	-60.51
CC1(C)CC(CCNC(=O)C2CCC3(CC3C(=O)[O-])C2)C(=O)N1	REAL000000124836	0	48	-1.0	-68.62	374.88	5.65	-62.97
CC1=CC=CC=C1C(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL000000124839	0	51	-1.0	-48.04	417.46	13.14	-34.90
CC1(CNC(=O)C2(C(=O)[O-])CNCCO2)CCOC1C1CC1	REAL000000124840	1	45	-1.0	-48.45	343.24	2.43	-46.02
CC1(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CCOC1C1CC1	REAL000000124841	0	49	-1.0	-57.32	371.93	8.35	-48.98
CC1(C)[C@H]2[C@H](CCCN2C(=O)C2(C(=O)[O-])CNCCO2)[C@@H]1O	REAL000000124842	1	45	-1.0	-50.26	318.40	1.24	-49.02
CC1(C)[C@H]2[C@H](CCCN2C(=O)C2CCC3(CC3C(=O)[O-])C2)[C@@H]1O	REAL000000124843	0	49	-1.0	-56.04	347.94	6.90	-49.15
CC1=CC(Cl)=CC2=C1CN(C(=O)C1(C(=O)[O-])CNCCO1)CC2	REAL000000124846	1	41	-1.0	-46.96	327.77	5.48	-41.48
CC1=CC(Cl)=CC2=C1CN(C(=O)C1CCC3(CC3C(=O)[O-])C1)CC2	REAL000000124848	0	45	-1.0	-52.93	359.25	11.23	-41.70
CC1=CC=CC(C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C2=CC=C(Cl)C=C2)=C1	REAL000000124851	0	51	-1.0	-47.99	424.62	13.27	-34.72
CC(=O)N1CC2(CCN(C(=O)C3(C(=O)[O-])CNCCO3)CC2)[C@@H]2COC[C@@H]21	REAL000000124852	1	53	-1.0	-49.79	379.56	2.20	-47.59
CC(=O)N1CC2(CCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CC2)[C@@H]2COC[C@@H]21	REAL000000124855	0	57	-1.0	-52.47	410.31	7.95	-44.51
CC1CN2N=CC=C2CN1C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124856	0	42	-1.0	-59.83	325.51	7.71	-52.12
O=C([O-])C1(C(=O)NC2=CC=C(OC(F)F)N=C2)CNCCO1	REAL000000124859	1	34	-1.0	-49.39	296.08	-0.39	-49.78
O=C([O-])C1CC12CCC(C(=O)NC1=CC=C(OC(F)F)N=C1)C2	REAL000000124860	0	38	-1.0	-59.50	326.09	5.40	-54.10
CCC1OC2(CCN(C(=O)C3(C(=O)[O-])CNCCO3)CC2)NC1=O	REAL000000124861	1	46	-1.0	-46.95	346.68	-0.32	-47.27
CCC1OC2(CCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CC2)NC1=O	REAL000000124863	0	50	-1.0	-58.75	380.15	5.42	-53.33
O=C([O-])C1(C(=O)N2CCC(OC3=CC=C(Cl)C=C3)CC2)CNCCO1	REAL000000124864	1	45	-1.0	-49.73	359.48	5.43	-44.30
O=C([O-])C1CC12CCC(C(=O)N1CCC(OC3=CC=C(Cl)C=C3)CC1)C2	REAL000000124867	0	49	-1.0	-58.04	393.60	11.14	-46.90
O=C([O-])C1(C(=O)NCC2CCC3C(C2)C3(F)F)CNCCO1	REAL000000124868	1	41	-1.0	-49.22	322.60	3.54	-45.68
O=C([O-])C1CC12CCC(C(=O)NCC1CCC3C(C1)C3(F)F)C2	REAL000000124869	0	45	-1.0	-58.11	352.05	9.27	-48.84
O=C([O-])C1(C(=O)NCCCC(F)(F)C(F)(F)F)CNCCO1	REAL000000124870	1	36	-1.0	-48.49	317.57	2.21	-46.28
O=C([O-])C1CC12CCC(C(=O)NCCCC(F)(F)C(F)(F)F)C2	REAL000000124872	0	40	-1.0	-57.24	347.44	7.93	-49.31
CC1(C)CC(O)CCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000124875	1	44	-1.0	-50.79	303.00	0.51	-50.28
CC1(C)CC(O)CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000124876	0	48	-1.0	-57.63	344.32	6.57	-51.06
CC(C)C1=NC=C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C=N1	REAL000000124877	0	42	-1.0	-58.99	340.90	7.18	-51.81
CC(O)C1=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=CC=C1F	REAL000000124878	1	38	-1.0	-49.24	315.63	0.45	-48.80
CC(O)C1=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=CC=C1F	REAL000000124879	0	42	-1.0	-49.46	343.83	6.21	-43.24
COC1=CC=CC([C@H]2C[C@H](N(C)C(=O)C3(C(=O)[O-])CNCCO3)C2)=C1	REAL000000124880	1	48	-1.0	-50.21	357.41	5.02	-45.19
COC1=CC=CC([C@H]2C[C@H](N(C)C(=O)C3CCC4(CC4C(=O)[O-])C3)C2)=C1	REAL000000124883	0	52	-1.0	-59.06	393.55	10.69	-48.37
CC1(C)CN(C(=O)C2(C(=O)[O-])CNCCO2)CCN1S(C)(=O)=O	REAL000000124884	1	45	-1.0	-49.65	337.18	0.14	-49.50
CC1(C)CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CCN1S(C)(=O)=O	REAL000000124887	0	49	-1.0	-60.29	370.11	5.95	-54.34
CC(F)(F)C1=CC=CC=C1CNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000124890	1	40	-1.0	-54.99	319.11	3.99	-51.00
CC(F)(F)C1=CC=CC=C1CNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124892	0	44	-1.0	-60.36	355.86	9.98	-50.38
C[C@H](NC(=O)C1(C(=O)[O-])CNCCO1)C1=C(F)C=C(F)C=C1F	REAL000000124893	1	37	-1.0	-50.20	316.19	3.45	-46.74
C[C@H](NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=C(F)C=C(F)C=C1F	REAL000000124895	0	41	-1.0	-50.19	343.96	9.12	-41.07
O=C([O-])C1(C(=O)N2CCOC(C3=NNC=C3)C2)CNCCO1	REAL000000124896	1	39	-1.0	-50.56	306.13	0.05	-50.51
O=C([O-])C1CC12CCC(C(=O)N1CCOC(C3=NNC=C3)C1)C2	REAL000000124897	0	43	-1.0	-51.38	336.18	5.73	-45.64
O=C([O-])C1(C(=O)N2CCCC(CC(F)F)C2)CNCCO1	REAL000000124898	1	40	-1.0	-47.25	307.00	3.85	-43.41
O=C([O-])C1CC12CCC(C(=O)N1CCCC(CC(F)F)C1)C2	REAL000000124899	0	44	-1.0	-49.85	338.87	9.60	-40.26
O=C([O-])C1(C(=O)NCCCCN2C(=O)OC3=CC=CC=C32)CNCCO1	REAL000000124900	1	46	-1.0	-59.93	381.40	4.25	-55.68
O=C([O-])C1CC12CCC(C(=O)NCCCCN1C(=O)OC3=CC=CC=C31)C2	REAL000000124903	0	50	-1.0	-68.70	411.31	9.97	-58.73
C[C@@H](NC(=O)C1(C(=O)[O-])CNCCO1)C1=C(F)C=C(F)C=C1F	REAL000000124904	1	37	-1.0	-48.39	314.29	3.41	-44.98
C[C@@H](NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=C(F)C=C(F)C=C1F	REAL000000124906	0	41	-1.0	-53.76	345.58	9.19	-44.57
CC1=C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C2=NSN=C2C=C1	REAL000000124911	0	39	-1.0	-53.23	333.40	7.19	-46.04
CC(C)(C)C1(CNC(=O)C2(C(=O)[O-])CNCCO2)CCCO1	REAL000000124912	1	47	-1.0	-53.05	339.85	2.36	-50.69
CC(C)(C)C1(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CCCO1	REAL000000124913	0	51	-1.0	-56.29	372.41	7.93	-48.36
O=C([O-])C1(C(=O)N2CCC3(CC2)CC2=CC=CC=C2NC3=O)CNCCO1	REAL000000124914	1	49	-1.0	-51.22	364.32	3.97	-47.25
O=C([O-])C1CC12CCC(C(=O)N1CCC3(CC1)CC1=CC=CC=C1NC3=O)C2	REAL000000124917	0	53	-1.0	-51.41	394.22	9.60	-41.81
O=C([O-])C1(C(=O)NCCC2=CC=C(Br)C(F)=C2)CNCCO1	REAL000000124920	1	37	-1.0	-48.75	332.35	3.82	-44.94
O=C([O-])C1CC12CCC(C(=O)NCCC1=CC=C(Br)C(F)=C1)C2	REAL000000124923	0	41	-1.0	-60.54	362.23	9.55	-50.99
CC1=CC(CC2(NC(=O)C3CCC4(CC4C(=O)[O-])C3)CC2)=CC=C1F	REAL000000124925	0	48	-1.0	-61.45	390.71	10.95	-50.50
CN(CC1=NC=CN1CC(F)F)C(=O)C1(C(=O)[O-])CNCCO1	REAL000000124926	1	40	-1.0	-59.98	325.39	3.92	-56.06
CN(CC1=NC=CN1CC(F)F)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124928	0	44	-1.0	-66.65	361.94	9.57	-57.08
O=C([O-])C1(C(=O)N2CCC3CC(C4=CC=C(F)C=C4)C3C2)CNCCO1	REAL000000124929	1	48	-1.0	-51.82	358.17	6.70	-45.12
O=C([O-])C1CC12CCC(C(=O)N1CCC3CC(C4=CC=C(F)C=C4)C3C1)C2	REAL000000124932	0	52	-1.0	-48.11	395.72	12.73	-35.38
O=C([O-])C1(C(=O)NCC2=CSC=C2Br)CNCCO1	REAL000000124933	1	31	-1.0	-48.15	293.42	1.87	-46.27
O=C([O-])C1CC12CCC(C(=O)NCC1=CSC=C1Br)C2	REAL000000124936	0	35	-1.0	-55.54	323.31	7.58	-47.95
CC(C)C1=CC=C2OCC[C@@H](NC(=O)C3(C(=O)[O-])CNCCO3)C2=C1	REAL000000124937	1	48	-1.0	-50.22	371.98	4.43	-45.80
CC(C)C1=CC=C2OCC[C@@H](NC(=O)C3CCC4(CC4C(=O)[O-])C3)C2=C1	REAL000000124940	0	52	-1.0	-52.84	401.42	10.19	-42.65
O=C([O-])C1(C(=O)N2CC(CO)C3(C2)CCOCC3)CNCCO1	REAL000000124941	1	46	-1.0	-56.99	333.53	-0.87	-57.86
O=C([O-])C1CC12CCC(C(=O)N1CC(CO)C3(C1)CCOCC3)C2	REAL000000124943	0	50	-1.0	-49.81	367.62	4.81	-45.01
O=C([O-])C1(C(=O)NC2CS(=O)(=O)C23CCOCC3)CNCCO1	REAL000000124944	1	42	-1.0	-49.91	322.70	-2.44	-52.36
O=C([O-])C1CC12CCC(C(=O)NC1CS(=O)(=O)C13CCOCC3)C2	REAL000000124947	0	46	-1.0	-52.65	360.93	3.56	-49.10
O=C([O-])C1(C(=O)NC2=CN(C3CCOC3)N=N2)CNCCO1	REAL000000124948	1	38	-1.0	-48.08	307.56	-0.28	-48.36
O=C([O-])C1CC12CCC(C(=O)NC1=CN(C3CCOC3)N=N1)C2	REAL000000124949	0	42	-1.0	-50.75	335.70	5.64	-45.11
CC1CN(S(C)(=O)=O)CCN1C(=O)C1(C(=O)[O-])CNCCO1	REAL000000124950	1	42	-1.0	-48.37	323.03	-0.54	-48.91
CC1CN(S(C)(=O)=O)CCN1C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124952	0	46	-1.0	-52.77	354.75	5.12	-47.65
CC(C)C1=CC=C2OCC[C@H](NC(=O)C3(C(=O)[O-])CNCCO3)C2=C1	REAL000000124953	1	48	-1.0	-50.57	371.97	4.46	-46.11
CC(C)C1=CC=C2OCC[C@H](NC(=O)C3CCC4(CC4C(=O)[O-])C3)C2=C1	REAL000000124956	0	52	-1.0	-50.68	401.70	10.15	-40.53
O=C([O-])C1(C(=O)NC2=CC=C(C3=NNC4=C3COCC4)C=C2)CNCCO1	REAL000000124957	1	46	-1.0	-56.37	367.83	2.05	-54.32
O=C([O-])C1CC12CCC(C(=O)NC1=CC=C(C3=NNC4=C3COCC4)C=C1)C2	REAL000000124960	0	50	-1.0	-65.35	397.86	7.86	-57.49
O=C([O-])C1CC12CCC(C(=O)NC1=CC=C(C3=C4COCCC4=NN3)C=C1)C2	REAL000000124960	1	50	-1.0	-61.50	399.31	7.90	-53.60
CC1(CNC(=O)C2(C(=O)[O-])CNCCO2)NC(=O)NC1=O	REAL000000124961	1	36	-1.0	-50.75	301.22	-4.39	-55.14
CC1(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)NC(=O)NC1=O	REAL000000124962	0	40	-1.0	-61.38	331.07	1.34	-60.03
CC(C1=CC=CC=C1)C1CCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000124963	1	47	-1.0	-51.72	356.84	6.31	-45.41
CC(C1=CC=CC=C1)C1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000124965	0	51	-1.0	-47.43	387.76	11.90	-35.53
CCC1(C)COCCC1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000124966	0	48	-1.0	-55.54	350.92	7.28	-48.26
COC(=O)C(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1(OC)CCC1	REAL000000124968	0	48	-1.0	-52.08	373.73	6.78	-45.30
CC1=NC(C2=CC=C(CNC(=O)C3(C(=O)[O-])CNCCO3)C=C2)=NO1	REAL000000124969	1	42	-1.0	-53.14	356.12	1.70	-51.43
CC1=NC(C2=CC=C(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)C=C2)=NO1	REAL000000124972	0	46	-1.0	-60.62	386.02	7.42	-53.21
CC1(C)CCN(C(=O)C2(C(=O)[O-])CNCCO2)C[C@@H]2CCO[C@@H]21	REAL000000124973	1	48	-1.0	-56.95	332.03	3.61	-53.34
CC1(C)CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C[C@@H]2CCO[C@@H]21	REAL000000124974	0	52	-1.0	-64.34	364.16	9.05	-55.29
CCC(C)C1=CSC(NC(=O)C2(C(=O)[O-])CNCCO2)=N1	REAL000000124975	1	39	-1.0	-47.05	321.64	2.88	-44.17
CCC(C)C1=CSC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=N1	REAL000000124976	0	43	-1.0	-47.79	349.81	8.63	-39.15
CC1=CC(F)=CC=C1CC1(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000124978	0	48	-1.0	-47.01	371.59	10.19	-36.81
O=C([O-])C1(C(=O)NCC2CCOCC23CCCC3)CNCCO1	REAL000000124979	1	48	-1.0	-49.10	350.08	2.42	-46.69
O=C([O-])C1CC12CCC(C(=O)NCC1CCOCC13CCCC3)C2	REAL000000124980	0	52	-1.0	-47.22	377.87	8.06	-39.16
O=C([O-])C1CC12CCC(C(=O)N1CCCC3(CCC3)CC1)C2	REAL000000124981	0	48	-1.0	-57.44	332.84	10.26	-47.18
O=C([O-])C1CC12CCC(C(=O)N1CC3CCCC1C3CO)C2	REAL000000124982	0	46	-1.0	-62.52	338.39	6.52	-56.00
CCOC(=O)C12CC(CNC(=O)C3(C(=O)[O-])CNCCO3)(C1)OC2	REAL000000124983	1	45	-1.0	-53.07	367.03	1.61	-51.45
CCOC(=O)C12CC(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)(C1)OC2	REAL000000124986	0	49	-1.0	-49.81	395.06	7.22	-42.59
CN1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C(CC2=CC=CC=C2)C1=O	REAL000000124989	0	52	-1.0	-63.99	402.43	10.72	-53.27
O=C([O-])C1(C(=O)NCC2CC3C(C2)C3(F)F)CNCCO1	REAL000000124990	1	38	-1.0	-50.15	306.81	2.82	-47.33
O=C([O-])C1CC12CCC(C(=O)NCC1CC3C(C1)C3(F)F)C2	REAL000000124991	0	42	-1.0	-59.39	337.19	8.57	-50.81
COC(=O)C1(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CCC(C(F)F)CC1	REAL000000124994	0	50	-1.0	-49.69	386.19	10.28	-39.41
COC(=O)C1(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CCC2=CC=CC=C2C1	REAL000000124997	0	51	-1.0	-55.62	394.22	11.43	-44.19
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COC1=CC(Br)=CC=C1CNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000125165	1	38	-1.0	-49.65	333.55	2.35	-47.31
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CC1(C)NCC2=C1N=C(NC(=O)C1(C(=O)[O-])CNCCO1)S2	REAL000000125321	1	39	-1.0	-47.94	324.05	-0.39	-48.33
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COCC1=NN=C(NC(=O)C2(C(=O)[O-])CNCCO2)S1	REAL000000125346	1	33	-1.0	-54.36	294.84	-0.63	-54.99
COCC1=NN=C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)S1	REAL000000125347	0	37	-1.0	-54.35	322.62	5.10	-49.24
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CC(C)(C)C1=CN=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=C1	REAL000000125358	1	42	-1.0	-49.79	329.27	2.73	-47.06
CC(C)(C)C1=CN=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL000000125359	0	46	-1.0	-51.94	356.99	8.49	-43.45
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CCC(CCC(=O)OC)NC(=O)C1(C(=O)[O-])CNCCO1	REAL000000125366	1	42	-1.0	-48.91	333.31	2.51	-46.40
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CC(C)CC(=O)N1CCCC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000125370	0	54	-1.0	-53.56	407.81	8.72	-44.85
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CC(C)CN(CC1=CC=C(F)C=C1F)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000125574	0	50	-1.0	-54.05	388.14	12.03	-42.02
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CCCCN(CC1=CC=C(F)C=C1F)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000125578	0	50	-1.0	-57.73	392.06	12.48	-45.26
O=C([O-])C1(C(=O)NC2CCNC3=CC=CC=C32)CNCCO1	REAL000000125579	1	40	-1.0	-51.93	309.66	1.46	-50.47
COC(=O)C1=CC=C2C=CC=C(CNC(=O)C3(C(=O)[O-])CNCCO3)C2=C1	REAL000000125580	1	46	-1.0	-64.54	379.40	5.06	-59.47
COC(=O)C1=CC=C2C=CC=C(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)C2=C1	REAL000000125583	0	50	-1.0	-62.08	411.28	10.83	-51.24
COC(=O)C1=CN=C2CC(CNC(=O)C3(C(=O)[O-])CNCCO3)CCN12	REAL000000125584	1	47	-1.0	-53.22	378.51	3.18	-50.04
COC(=O)C1=CN=C2CC(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)CCN12	REAL000000125587	0	51	-1.0	-54.40	406.26	8.82	-45.57
CCOC(=O)C1=C(C)N=C(CCNC(=O)C2(C(=O)[O-])CNCCO2)S1	REAL000000125588	1	45	-1.0	-52.75	385.82	2.50	-50.25
CCOC(=O)C1=C(C)N=C(CCNC(=O)C2CCC3(CC3C(=O)[O-])C2)S1	REAL000000125591	0	49	-1.0	-62.71	415.73	8.23	-54.48
COC(=O)[C@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CNCCO2)C1(C)C	REAL000000125592	1	43	-1.0	-49.28	334.64	2.52	-46.77
COC(=O)[C@H]1C[C@@H](NC(=O)C2CCC3(CC3C(=O)[O-])C2)C1(C)C	REAL000000125593	0	47	-1.0	-57.19	366.49	8.31	-48.88
COC(=O)C1(C)CC(NC(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000125594	1	40	-1.0	-49.76	318.06	2.35	-47.41
COC(=O)C1(C)CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000125595	0	44	-1.0	-62.82	355.00	7.69	-55.13
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CC1=CN=C(CCNC(=O)C2CCC3(CC3C(=O)[O-])C2)N=C1C	REAL000000125601	0	45	-1.0	-62.68	364.19	7.22	-55.45
O=C([O-])C1(C(=O)NCCCCC2=CNN=C2C(F)(F)F)CNCCO1	REAL000000125602	1	43	-1.0	-56.60	362.51	1.94	-54.66
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C=CCN(CCC1=CC=CC=C1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000125607	0	48	-1.0	-56.62	382.81	12.33	-44.28
COC(=O)C1=CC=CC(C2=CC=CC(CNC(=O)C3(C(=O)[O-])CNCCO3)=C2)=C1	REAL000000125608	1	50	-1.0	-53.83	412.80	6.45	-47.38
COC(=O)C1(CNC(=O)C2(C(=O)[O-])CNCCO2)CC12CCOCC2	REAL000000125611	1	48	-1.0	-51.89	375.08	2.26	-49.63
COC(=O)C1(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CC12CCOCC2	REAL000000125614	0	52	-1.0	-57.35	407.07	7.68	-49.67
COC(=O)C(CNC(=O)C1(C(=O)[O-])CNCCO1)CC(C)(C)C	REAL000000125615	1	48	-1.0	-56.77	369.68	3.12	-53.64
COC(=O)C(CNC(=O)C1CCC2(CC2C(=O)[O-])C1)CC(C)(C)C	REAL000000125617	0	52	-1.0	-59.19	396.20	9.09	-50.10
COC(=O)C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000125618	1	47	-1.0	-54.65	374.54	4.75	-49.90
COC(=O)C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000125621	0	51	-1.0	-63.31	406.40	10.47	-52.84
O=C([O-])C1(C(=O)NCCCC2=CNN=C2C(F)(F)F)CNCCO1	REAL000000125622	1	40	-1.0	-52.77	341.00	1.16	-51.60
O=C([O-])C1CC12CCC(C(=O)NCCCC1=CNN=C1C(F)(F)F)C2	REAL000000125625	0	44	-1.0	-61.53	370.91	6.89	-54.64
O=C([O-])C1CC12CCC(C(=O)NCCC1CC3(CCC3)C1)C2	REAL000000125626	0	48	-1.0	-54.63	371.83	9.83	-44.81
COC(=O)C1(CNC(=O)C2(C(=O)[O-])CNCCO2)CC2CCC1C2	REAL000000125627	1	47	-1.0	-54.22	358.45	3.67	-50.55
COC(=O)C1(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CC2CCC1C2	REAL000000125629	0	51	-1.0	-57.60	388.32	9.41	-48.20
C[C@H](NC(=O)C1(C(=O)[O-])CNCCO1)C1=CC=C(Br)C=C1	REAL000000125630	1	37	-1.0	-48.46	322.64	3.85	-44.61
C[C@H](NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL000000125633	0	41	-1.0	-54.61	351.96	9.59	-45.02
COC(=O)C1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C2(CC2)C1	REAL000000125634	0	48	-1.0	-49.40	366.02	9.76	-39.64
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COC(=O)C12CCC(CC1)CN2C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000125637	0	48	-1.0	-65.80	356.54	10.63	-55.17
COC(=O)C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000125640	0	51	-1.0	-63.10	392.31	12.01	-51.09
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CN1N=C2CCOCC2=C1NC(=O)C1(C(=O)[O-])CNCCO1	REAL000000125648	1	39	-1.0	-49.11	312.43	0.64	-48.48
CN1N=C2CCOCC2=C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000125649	0	43	-1.0	-53.14	336.32	6.42	-46.72
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O=C([O-])C1(C(=O)N2CCCCCCCCCC2)CNCCO1	REAL000000125655	1	49	-1.0	-51.37	327.06	5.26	-46.11
O=C([O-])C1CC12CCC(C(=O)N1CCCCCCCCCC1)C2	REAL000000125656	0	53	-1.0	-53.26	374.43	11.36	-41.90
CN1N=C(NC(=O)C2(C(=O)[O-])CNCCO2)C=C1C1=CC=C(F)C=C1	REAL000000125657	1	41	-1.0	-50.88	337.12	4.14	-46.74
CN1N=C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1C1=CC=C(F)C=C1	REAL000000125660	0	45	-1.0	-50.46	366.87	9.92	-40.53
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COC1=CC=C([C@@H](C)NC(=O)C2(C(=O)[O-])CNCCO2)C=C1OC	REAL000000125664	1	45	-1.0	-52.49	360.07	2.46	-50.02
COC1=CC=C([C@@H](C)NC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1OC	REAL000000125666	0	49	-1.0	-50.10	387.82	8.12	-41.98
COC(=O)C1(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CCCC2CC21	REAL000000125667	0	48	-1.0	-58.82	362.11	10.17	-48.65
COC(=O)C1(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CCC2CC21	REAL000000125668	0	45	-1.0	-56.85	349.44	9.32	-47.53
CCOC(=O)C1(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CC2(CCC2)C1	REAL000000125670	0	51	-1.0	-51.19	398.16	9.68	-41.51
O=C([O-])C1(C(=O)NCCC2=CC=CN=C2Cl)CNCCO1	REAL000000125671	1	36	-1.0	-51.47	312.99	1.68	-49.79
O=C([O-])C1CC12CCC(C(=O)NCCC1=CC=CN=C1Cl)C2	REAL000000125672	0	40	-1.0	-61.28	342.89	7.39	-53.89
O=C([O-])C1(C(=O)NCCOC2=CNN=C2C(F)(F)F)CNCCO1	REAL000000125673	1	38	-1.0	-52.33	333.48	-0.55	-52.88
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O=C([O-])C1CC12CCC(C(=O)NCC1(O)C3CC4CC(C3)CC1C4)C2	REAL000000125679	0	53	-1.0	-51.61	373.57	7.03	-44.57
CS(=O)(=O)C1CCCCCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000125681	1	46	-1.0	-56.10	336.88	1.38	-54.72
CS(=O)(=O)C1CCCCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000125684	0	50	-1.0	-72.72	371.40	7.12	-65.60
O=C([O-])C1(C(=O)N2CCCCCCCNS(=O)(=O)CC2)CNCCO1	REAL000000125685	1	51	-1.0	-50.44	362.87	0.63	-49.81
O=C([O-])C1CC12CCC(C(=O)N1CCCCCCCNS(=O)(=O)CC1)C2	REAL000000125688	0	55	-1.0	-60.34	403.01	6.37	-53.97
CC(NC(=O)C1(C(=O)[O-])CNCCO1)C1=CC(F)=C(F)C(F)=C1	REAL000000125689	1	37	-1.0	-46.36	318.37	3.38	-42.98
CC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC(F)=C(F)C(F)=C1	REAL000000125691	0	41	-1.0	-57.32	350.20	9.17	-48.16
O=C([O-])C1CC12CCC(C(=O)N1CCCC1C1=CC(F)=CC=C1Cl)C2	REAL000000125694	0	45	-1.0	-50.31	370.53	11.91	-38.39
O=C([O-])C1CC12CCC(C(=O)N1CCCC1C1=CC(F)=CC=C1F)C2	REAL000000125696	0	45	-1.0	-50.54	361.77	11.55	-39.00
COC(=O)C1CCCC(NC(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL000000125697	1	46	-1.0	-52.89	351.10	3.14	-49.75
COC(=O)C1CCCC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000125699	0	50	-1.0	-60.15	380.66	8.86	-51.29
O=C([O-])C1(C(=O)NCCCN2C=NC3=C2CCCC3)CNCCO1	REAL000000125700	1	47	-1.0	-52.94	370.20	5.04	-47.90
O=C([O-])C1CC12CCC(C(=O)NCCCN1C=NC3=C1CCCC3)C2	REAL000000125702	0	51	-1.0	-61.34	400.10	10.77	-50.57
O=C([O-])C1(C(=O)N2CC=CCC3(CCCC3)C2)CNCCO1	REAL000000125703	1	45	-1.0	-47.88	310.43	4.94	-42.95
O=C([O-])C1CC12CCC(C(=O)N1CC=CCC3(CCCC3)C1)C2	REAL000000125704	0	49	-1.0	-57.86	355.19	11.13	-46.74
O=C([O-])C1(C(=O)NCCC2=CC=CC(Cl)=C2F)CNCCO1	REAL000000125707	1	37	-1.0	-54.65	326.96	3.70	-50.95
O=C([O-])C1CC12CCC(C(=O)NCCC1=CC=CC(Cl)=C1F)C2	REAL000000125709	0	41	-1.0	-62.48	356.86	9.42	-53.05
COC(CNC(=O)C1(C(=O)[O-])CNCCO1)C1CC(F)(F)C1	REAL000000125710	1	41	-1.0	-52.20	333.42	1.30	-50.90
COC(CNC(=O)C1CCC2(CC2C(=O)[O-])C1)C1CC(F)(F)C1	REAL000000125711	0	45	-1.0	-58.42	364.81	7.44	-50.98
O=C([O-])C1(C(=O)N2CCOC(C3=NOC(C4=CC=CC=C4)=N3)C2)CNCCO1	REAL000000125712	1	47	-1.0	-49.09	378.27	2.05	-47.04
O=C([O-])C1CC12CCC(C(=O)N1CCOC(C3=NOC(C4=CC=CC=C4)=N3)C1)C2	REAL000000125715	0	51	-1.0	-51.13	408.36	7.74	-43.39
C=CCN(CC1=CC=CC(F)=C1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000125719	0	45	-1.0	-55.88	364.30	11.53	-44.35
CC1C2=CC=CC=C2N(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1C	REAL000000125720	0	45	-1.0	-61.12	342.71	11.06	-50.06
O=C([O-])C1CC12CCC(C(=O)N1C3CCCC1CC(O)C3)C2	REAL000000125721	0	46	-1.0	-65.90	332.86	6.31	-59.59
CC(C)(C)C1=CN=CC(CNC(=O)C2(C(=O)[O-])CNCCO2)=C1	REAL000000125728	1	45	-1.0	-48.88	355.27	2.88	-45.99
CC(C)(C)C1=CN=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL000000125729	0	49	-1.0	-56.95	385.12	8.62	-48.33
CS(=O)(=O)N[C@H]1CCCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000125730	1	42	-1.0	-47.67	330.68	-1.63	-49.31
CS(=O)(=O)N[C@H]1CCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000125732	0	46	-1.0	-61.53	361.31	3.99	-57.54
O=C([O-])C1(C(=O)NCC2=C(O)C=CC=C2Br)CNCCO1	REAL000000125733	1	35	-1.0	-50.18	311.59	0.08	-50.10
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CN(CCC1=CC=C(F)C=C1)C(=O)C1(C(=O)[O-])CNCCO1	REAL000000125737	1	40	-1.0	-48.44	325.97	5.28	-43.16
CN(CCC1=CC=C(F)C=C1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000125738	0	44	-1.0	-59.52	355.51	10.87	-48.65
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COC1=CC=C2CCC(NC(=O)C3(C(=O)[O-])CNCCO3)CC2=C1	REAL000000125747	1	45	-1.0	-55.68	353.84	3.50	-52.18
COC1=CC=C2CCC(NC(=O)C3CCC4(CC4C(=O)[O-])C3)CC2=C1	REAL000000125749	0	49	-1.0	-67.30	381.01	9.16	-58.14
O=C([O-])C1(C(=O)NC2=CC(F)=CC3=C2OCCC3)CNCCO1	REAL000000125750	1	39	-1.0	-53.96	316.88	3.02	-50.94
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CN(CCNC(=O)C1(C(=O)[O-])CNCCO1)S(C)(=O)=O	REAL000000125753	1	38	-1.0	-54.61	319.80	-2.63	-57.24
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CC(C)CCC1=NC=C2CN(C(=O)C3(C(=O)[O-])CNCCO3)CCC2=N1	REAL000000125919	1	51	-1.0	-48.61	387.60	5.08	-43.52
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CC(C)C1CCC(C)N(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000126184	0	50	-1.0	-56.15	361.94	10.49	-45.66
CC1CCC(C2CCC2)CN1C(=O)C1(C(=O)[O-])CNCCO1	REAL000000126185	1	47	-1.0	-49.98	335.44	5.40	-44.58
CC1CCC(C2CCC2)CN1C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000126186	0	51	-1.0	-47.96	372.02	11.30	-36.66
CC12CCC(CNC(=O)C3(C(=O)[O-])CNCCO3)(CC1)OC2	REAL000000126187	1	45	-1.0	-49.90	337.36	2.05	-47.85
CC12CCC(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)(CC1)OC2	REAL000000126188	0	49	-1.0	-51.50	365.18	7.71	-43.79
CC(CNC(=O)C1(C(=O)[O-])CNCCO1)SCC1=CC=CC=C1	REAL000000126189	1	44	-1.0	-54.19	367.03	5.23	-48.96
CC(CNC(=O)C1CCC2(CC2C(=O)[O-])C1)SCC1=CC=CC=C1	REAL000000126191	0	48	-1.0	-58.52	395.37	10.93	-47.59
O=C([O-])C1(C(=O)N2CCC(C3=CC=C(F)C=C3F)CC2)CNCCO1	REAL000000126192	1	44	-1.0	-46.90	346.24	5.95	-40.95
O=C([O-])C1CC12CCC(C(=O)N1CCC(C3=CC=C(F)C=C3F)CC1)C2	REAL000000126195	0	48	-1.0	-61.97	373.56	11.56	-50.41
O=C(CC(F)(F)F)N[C@H]1CCCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000126196	1	44	-1.0	-60.05	352.52	1.94	-58.11
O=C([O-])C1CC12CCC(C(=O)N1CCC[C@H](NC(=O)CC(F)(F)F)C1)C2	REAL000000126199	0	48	-1.0	-63.06	388.29	7.74	-55.31
CC1CCC(C2CCCC2)CN1C(=O)C1(C(=O)[O-])CNCCO1	REAL000000126200	1	50	-1.0	-52.42	350.26	6.07	-46.35
CC1CCC(C2CCCC2)CN1C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000126201	0	54	-1.0	-46.26	385.14	11.72	-34.54
CC1CCC(C2CCCCC2)CN1C(=O)C1(C(=O)[O-])CNCCO1	REAL000000126202	1	53	-1.0	-50.70	367.35	6.49	-44.21
CC1CCC(C2CCCCC2)CN1C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000126204	0	57	-1.0	-46.11	399.83	12.31	-33.79
O=C([O-])C1(C(=O)NCCOC2=C(F)C=CC=C2Cl)CNCCO1	REAL000000126207	1	38	-1.0	-51.25	337.96	2.73	-48.51
O=C([O-])C1CC12CCC(C(=O)NCCOC1=C(F)C=CC=C1Cl)C2	REAL000000126210	0	42	-1.0	-58.51	369.81	8.51	-50.00
O=C([O-])C1(C(=O)N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)CNCCO1	REAL000000126211	1	51	-1.0	-57.08	381.86	4.44	-52.65
O=C([O-])C1CC12CCC(C(=O)N1CCC(C(=O)N3CCC(F)(F)CC3)CC1)C2	REAL000000126214	0	55	-1.0	-71.42	413.17	10.16	-61.27
CC1NC(=O)OC12CCN(C(=O)C1(C(=O)[O-])CNCCO1)CC2	REAL000000126215	1	43	-1.0	-46.76	321.06	-0.22	-46.97
CC1NC(=O)OC12CCN(C(=O)C1CCC3(CC3C(=O)[O-])C1)CC2	REAL000000126216	0	47	-1.0	-56.41	356.50	5.70	-50.70
O=C([O-])C1(C(=O)N2CC3CCCCCCC3C2)CNCCO1	REAL000000126217	1	47	-1.0	-50.36	325.62	4.70	-45.65
O=C([O-])C1CC12CCC(C(=O)N1CC3CCCCCCC3C1)C2	REAL000000126218	0	51	-1.0	-47.24	361.64	10.56	-36.67
O=C([O-])C1(C(=O)NCCC2=NC(C3CC3)=NO2)CNCCO1	REAL000000126221	1	39	-1.0	-51.87	328.28	0.28	-51.59
O=C([O-])C1CC12CCC(C(=O)NCCC1=NC(C3CC3)=NO1)C2	REAL000000126222	0	43	-1.0	-63.02	358.19	6.00	-57.02
CC(C)(C)C1=NOC(CNC(=O)C2(C(=O)[O-])CNCCO2)=N1	REAL000000126223	1	41	-1.0	-47.81	337.12	-0.39	-48.20
CC(C)(C)C1=NOC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=N1	REAL000000126224	0	45	-1.0	-55.54	367.01	5.33	-50.20
O=C([O-])C1(C(=O)NCC2=CC=CC(C3=CSC=C3)=C2)CNCCO1	REAL000000126225	1	41	-1.0	-50.67	347.42	4.75	-45.92
O=C([O-])C1CC12CCC(C(=O)NCC1=CC=CC(C3=CSC=C3)=C1)C2	REAL000000126228	0	45	-1.0	-57.15	379.30	10.53	-46.62
CCCCCCC1CCCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000126229	1	52	-1.0	-48.44	380.07	6.64	-41.80
CCCCCCC1CCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000126230	0	56	-1.0	-46.16	413.42	12.50	-33.66
O=C([O-])C1(C(=O)N2CCC3(CC2)OC(=O)NC2=CC=CC=C23)CNCCO1	REAL000000126231	1	47	-1.0	-50.23	358.08	3.05	-47.17
O=C([O-])C1CC12CCC(C(=O)N1CCC3(CC1)OC(=O)NC1=CC=CC=C13)C2	REAL000000126234	0	51	-1.0	-59.54	392.82	8.82	-50.71
O=C([O-])C1(C(=O)N2CCC3(C2)CCSCC3)CNCCO1	REAL000000126235	1	42	-1.0	-51.54	313.96	4.07	-47.48
O=C([O-])C1CC12CCC(C(=O)N1CCC3(C1)CCSCC3)C2	REAL000000126236	0	46	-1.0	-47.40	348.99	9.95	-37.45
O=C([O-])C1(C(=O)N2CC3CS(=O)(=O)CC3(C3=CC=CC=C3)C2)CNCCO1	REAL000000126237	1	48	-1.0	-66.10	363.70	3.91	-62.19
COC(C1CC1)C(F)(F)CNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000126240	1	41	-1.0	-49.57	336.20	1.60	-47.97
COC(C1CC1)C(F)(F)CNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000126241	0	45	-1.0	-55.69	366.56	7.33	-48.36
CCC1=NOC(CCNC(=O)C2CCC3(CC3C(=O)[O-])C2)=N1	REAL000000126242	0	42	-1.0	-62.47	348.28	5.09	-57.38
O=C([O-])C1(C(=O)NCCC2=CC=C3CCOCC3=C2)CNCCO1	REAL000000126243	1	45	-1.0	-51.35	359.04	3.25	-48.10
O=C([O-])C1CC12CCC(C(=O)NCCC1=CC=C3CCOCC3=C1)C2	REAL000000126245	0	49	-1.0	-60.39	388.93	8.97	-51.41
CCCCC1CCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000126246	0	50	-1.0	-46.12	370.42	10.93	-35.18
O=C([O-])C1(C(=O)N2CCCC3(C2)OC[C@H]2C[C@H]23)CNCCO1	REAL000000126247	1	43	-1.0	-56.50	319.97	3.22	-53.28
O=C([O-])C1CC12CCC(C(=O)N1CCCC3(C1)OC[C@H]1C[C@H]13)C2	REAL000000126248	0	47	-1.0	-54.76	351.36	8.90	-45.86
COC(=O)C(C)(C)C1CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL000000126249	1	49	-1.0	-48.11	356.37	4.41	-43.70
COC(=O)C(C)(C)C1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000126252	0	53	-1.0	-66.77	387.76	10.09	-56.68
COC(=O)C1CCCC1C1CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL000000126253	1	53	-1.0	-59.15	389.69	6.01	-53.14
COC(=O)C1CCCC1C1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000126256	0	57	-1.0	-56.29	421.73	11.73	-44.56
O=C([O-])C1(C(=O)N2CCC(N3C(=O)CCCC3=O)CC2)CNCCO1	REAL000000126257	1	47	-1.0	-61.83	351.47	3.21	-58.62
O=C([O-])C1CC12CCC(C(=O)N1CCC(N3C(=O)CCCC3=O)CC1)C2	REAL000000126260	0	51	-1.0	-66.99	381.77	8.90	-58.08
O=C([O-])C1CC12CCC(C(=O)N1CCC(OCC3CC3)C1)C2	REAL000000126261	0	46	-1.0	-47.20	357.42	8.78	-38.43
CC(C)=C(Br)CNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000126266	1	34	-1.0	-47.75	293.13	1.83	-45.92
CC(C)=C(Br)CNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000126267	0	38	-1.0	-56.10	321.82	7.56	-48.55
O=C([O-])C1(C(=O)NCC2=CC(C3=CC=C(Cl)C=C3)=NO2)CNCCO1	REAL000000126268	1	40	-1.0	-51.03	355.51	4.04	-46.99
O=C([O-])C1CC12CCC(C(=O)NCC1=CC(C3=CC=C(Cl)C=C3)=NO1)C2	REAL000000126271	0	44	-1.0	-58.38	385.41	9.76	-48.61
O=C([O-])C1(C(=O)NCC2=NN=NN2C2=CC=C(F)C=C2)CNCCO1	REAL000000126272	1	39	-1.0	-44.19	332.31	2.25	-41.94
O=C([O-])C1CC12CCC(C(=O)NCC1=NN=NN1C1=CC=C(F)C=C1)C2	REAL000000126275	0	43	-1.0	-57.60	364.18	8.02	-49.58
O=C([O-])C1(C(=O)N2CCP(=O)(C3=CC=CC=C3)CC2)CNCCO1	REAL000000126276	1	44	-1.0	-51.74	342.87	3.62	-48.12
O=C([O-])C1CC12CCC(C(=O)N1CCP(=O)(C3=CC=CC=C3)CC1)C2	REAL000000126279	0	48	-1.0	-58.02	384.50	9.69	-48.32
COC(=O)CC1CCC2CN(C(=O)C3(C(=O)[O-])CNCCO3)CCC2C1	REAL000000126280	1	53	-1.0	-50.61	389.06	5.84	-44.77
COC(=O)CC1CCC2CN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CCC2C1	REAL000000126283	0	57	-1.0	-51.14	414.50	11.43	-39.72
O=C(CN1CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1)NC1=CC=CC=N1	REAL000000126284	1	49	-1.0	-54.86	378.58	1.74	-53.11
O=C([O-])C1CC12CCC(C(=O)N1CCN(CC(=O)NC3=CC=CC=N3)CC1)C2	REAL000000126287	0	53	-1.0	-57.73	408.64	7.43	-50.30
O=C([O-])C1(C(=O)N2CCN3C(=NN=C3C3=CC=CS3)C2)CNCCO1	REAL000000126288	1	41	-1.0	-47.83	336.75	4.63	-43.21
O=C([O-])C1CC12CCC(C(=O)N1CCN3C(=NN=C3C3=CC=CS3)C1)C2	REAL000000126291	0	45	-1.0	-62.70	369.27	10.40	-52.30
O=C([O-])C1(C(=O)NCC2=CC(C(F)(F)F)=CC=N2)CNCCO1	REAL000000126296	1	36	-1.0	-48.16	316.11	1.49	-46.67
O=C([O-])C1CC12CCC(C(=O)NCC1=CC(C(F)(F)F)=CC=N1)C2	REAL000000126298	0	40	-1.0	-57.86	347.74	7.26	-50.60
O=C([O-])C1CC12CCC(C(=O)NCC=CBr)C2	REAL000000126299	0	32	-1.0	-57.11	286.56	6.34	-50.77
O=C([O-])C1(C(=O)NCC2=CC=C(C3CC3)C=C2)CNCCO1	REAL000000126300	1	41	-1.0	-48.12	331.08	4.42	-43.70
O=C([O-])C1CC12CCC(C(=O)NCC1=CC=C(C3CC3)C=C1)C2	REAL000000126301	0	45	-1.0	-57.54	361.41	10.17	-47.37
CC1=C(CNC(=O)C2(C(=O)[O-])CNCCO2)C(C(F)(F)F)=CO1	REAL000000126302	1	37	-1.0	-55.10	324.51	2.15	-52.95
CC1=C(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL000000126304	0	41	-1.0	-60.43	354.42	7.87	-52.56
O=C([O-])C1(C(=O)N2CCCC(NS(=O)(=O)C3=CC=CC=C3)C2)CNCCO1	REAL000000126305	1	49	-1.0	-51.86	388.98	1.46	-50.40
COC(=O)C1(C2=CCN(C(=O)C3(C(=O)[O-])CNCCO3)CC2)CCC1	REAL000000126308	1	48	-1.0	-50.75	365.67	5.31	-45.45
COC(=O)C1(C2=CCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CC2)CCC1	REAL000000126311	0	52	-1.0	-57.45	400.11	11.13	-46.32
COC(=O)C1(C2CCN(C(=O)C3(C(=O)[O-])CNCCO3)CC2)CCC1	REAL000000126312	1	50	-1.0	-62.29	366.36	5.13	-57.16
COC(=O)C1(C2CCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CC2)CCC1	REAL000000126315	0	54	-1.0	-56.07	397.65	10.95	-45.13
O=C([O-])C1(C(=O)N2CCN(C3=CC=CN=C3)CC2)CNCCO1	REAL000000126316	1	42	-1.0	-50.37	318.21	1.51	-48.86
O=C([O-])C1CC12CCC(C(=O)N1CCN(C3=CC=CN=C3)CC1)C2	REAL000000126317	0	46	-1.0	-55.23	350.27	7.17	-48.06
CN1C=CN=C1C1CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL000000126318	1	44	-1.0	-61.54	337.52	4.12	-57.42
CN1C=CN=C1C1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000126319	0	48	-1.0	-50.88	368.29	9.86	-41.02
O=C([O-])C1(C(=O)NCC2=CC(C3=CC=CC=C3)=NS2)CNCCO1	REAL000000126320	1	40	-1.0	-47.25	344.35	3.72	-43.53
O=C([O-])C1CC12CCC(C(=O)NCC1=CC(C3=CC=CC=C3)=NS1)C2	REAL000000126323	0	44	-1.0	-58.17	376.23	9.48	-48.68
O=C([O-])C1(C(=O)NCC2=CC(C(F)(F)F)=CO2)CNCCO1	REAL000000126324	1	34	-1.0	-47.05	303.42	1.54	-45.51
O=C([O-])C1CC12CCC(C(=O)NCC1=CC(C(F)(F)F)=CO1)C2	REAL000000126325	0	38	-1.0	-56.47	335.35	7.31	-49.17
O=C([O-])C1CC12CCC(C(=O)NCC13COC(C1)CCC3)C2	REAL000000126326	0	46	-1.0	-51.23	342.55	6.95	-44.28
O=C([O-])C1CC12CCC(C(=O)NCC1CC(C(F)F)C1)C2	REAL000000126327	0	41	-1.0	-49.40	332.82	7.97	-41.43
COC(=O)C1(C)CN(C(=O)C2(C(=O)[O-])CNCCO2)CCO1	REAL000000126328	1	41	-1.0	-44.50	317.06	1.82	-42.68
COC(=O)C1(C)CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CCO1	REAL000000126329	0	45	-1.0	-56.98	348.86	7.57	-49.40
CCN1CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC12CCOC2	REAL000000126330	1	47	-1.0	-51.41	333.40	0.32	-51.09
CCN1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC12CCOC2	REAL000000126331	0	51	-1.0	-58.97	366.88	6.08	-52.89
O=C([O-])C1(C(=O)NCCCCCC2=CC=C(Br)C=C2)CNCCO1	REAL000000126334	1	46	-1.0	-49.75	391.13	6.11	-43.64
COC(=O)C(C)(C)C1=CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL000000126337	1	47	-1.0	-59.59	353.63	4.45	-55.14
COC(=O)C(C)(C)C1=CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000126339	0	51	-1.0	-60.79	387.90	10.31	-50.48
CCC1=CC=C(N(C)C(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1	REAL000000126340	0	44	-1.0	-59.55	349.44	11.01	-48.54
CC1(C)CCCOC1CCNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000126341	1	47	-1.0	-49.62	347.54	2.09	-47.54
CC1(C)CCCOC1CCNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000126342	0	51	-1.0	-58.12	379.42	7.86	-50.26
O=C([O-])C1(C(=O)NCCN2C=CC3=C(Br)C=CC=C32)CNCCO1	REAL000000126343	1	41	-1.0	-49.70	357.37	4.93	-44.78
O=C([O-])C1(C(=O)N2CCC3=C(C=CC(Br)=C3F)C2)CNCCO1	REAL000000126346	1	38	-1.0	-49.17	319.65	5.12	-44.05
O=C([O-])C1CC12CCC(C(=O)N1CCC3=C(C=CC(Br)=C3F)C1)C2	REAL000000126349	0	42	-1.0	-56.61	354.03	10.94	-45.67
COC(=O)C12CC1CN(C(=O)C1CCC3(CC3C(=O)[O-])C1)C2	REAL000000126350	0	42	-1.0	-49.51	337.17	8.85	-40.66
CN(C(=O)C1(C(=O)[O-])CNCCO1)C1=CC=C2OCCOC2=C1	REAL000000126351	1	40	-1.0	-49.58	310.68	2.70	-46.88
CN(C(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL000000126352	0	44	-1.0	-51.00	338.90	8.31	-42.69
O=C([O-])C1(C(=O)NC(CO)CC2CCOCC2)CNCCO1	REAL000000126353	1	45	-1.0	-51.94	341.83	-0.57	-52.51
O=C([O-])C1CC12CCC(C(=O)NC(CO)CC1CCOCC1)C2	REAL000000126354	0	49	-1.0	-58.24	370.99	5.17	-53.07
CC12CCC(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)(CO1)C2	REAL000000126359	0	46	-1.0	-56.41	355.60	7.01	-49.40
O=C([O-])C1(C(=O)NCC23CCC(C(F)(F)F)(CC2)CC3)CNCCO1	REAL000000126360	1	47	-1.0	-47.19	356.60	4.47	-42.72
O=C([O-])C1CC12CCC(C(=O)NCC13CCC(C(F)(F)F)(CC1)CC3)C2	REAL000000126363	0	51	-1.0	-50.91	386.34	10.19	-40.73
O=C([O-])C1(C(=O)N2CCCC3(C2)OCC2=CC=CC=C23)CNCCO1	REAL000000126364	1	46	-1.0	-55.72	347.88	4.50	-51.22
O=C([O-])C1CC12CCC(C(=O)N1CCCC3(C1)OCC1=CC=CC=C13)C2	REAL000000126367	0	50	-1.0	-56.39	379.56	10.27	-46.12
CC(CNC(=O)C1(C(=O)[O-])CNCCO1)C1=CC(F)=CC(F)=C1	REAL000000126368	1	40	-1.0	-47.10	331.77	3.82	-43.28
CC(CNC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC(F)=CC(F)=C1	REAL000000126370	0	44	-1.0	-58.50	363.63	9.60	-48.90
CS(=O)(=O)NCC1=CC=CC(CNC(=O)C2(C(=O)[O-])CNCCO2)=C1	REAL000000126371	1	45	-1.0	-58.23	381.77	-0.88	-59.12
CS(=O)(=O)NCC1=CC=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL000000126374	0	49	-1.0	-69.06	413.66	4.89	-64.16
COC1=CC(C2CCCN(C(=O)C3(C(=O)[O-])CNCCO3)C2)=CC(F)=C1F	REAL000000126375	1	48	-1.0	-47.46	374.20	5.15	-42.31
COC1=CC(C2CCCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)C2)=CC(F)=C1F	REAL000000126378	0	52	-1.0	-49.97	407.35	10.98	-38.99
COCCOCC1CN(C(=O)C2(C(=O)[O-])CNCCO2)CCO1	REAL000000126379	1	46	-1.0	-50.14	356.43	0.24	-49.90
COCCOCC1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CCO1	REAL000000126381	0	50	-1.0	-49.82	389.59	6.05	-43.77
CN(CC1=CC(F)=CC=C1F)C(=O)C1(C(=O)[O-])CNCCO1	REAL000000126383	1	37	-1.0	-46.07	302.64	4.24	-41.83
CN(CC1=CC(F)=CC=C1F)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000126384	0	41	-1.0	-58.92	333.63	10.19	-48.73
CCCCC1=CC=C(CCNC(=O)C2(C(=O)[O-])CNCCO2)C=C1	REAL000000126387	1	49	-1.0	-47.99	389.25	6.10	-41.89
CCCCC1=CC=C(CCNC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1	REAL000000126389	0	53	-1.0	-62.95	421.34	11.88	-51.07
COCC1=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=NO1	REAL000000126390	0	41	-1.0	-60.57	344.31	5.30	-55.27
CC(F)(F)C1(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000126391	0	41	-1.0	-52.96	332.62	8.17	-44.79
COC1=CC=C2CN(C(=O)C3(C(=O)[O-])CNCCO3)CCC2=C1	REAL000000126392	1	42	-1.0	-49.85	323.24	3.78	-46.07
COC1=CC=C2CN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CCC2=C1	REAL000000126393	0	46	-1.0	-55.67	357.78	9.64	-46.04
NC1=C(C(F)F)N(C2CCN(C(=O)C3(C(=O)[O-])CNCCO3)CC2)N=C1	REAL000000126394	1	46	-1.0	-56.81	360.84	1.87	-54.94
COC1=CC=CC(CN(C)C(=O)C2(C(=O)[O-])CNCCO2)=C1	REAL000000126398	1	41	-1.0	-47.10	324.75	3.60	-43.50
COC1=CC=CC(CN(C)C(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL000000126399	0	45	-1.0	-57.73	358.63	9.45	-48.28
CN(CC1=CC=C(F)C(Br)=C1)C(=O)C1(C(=O)[O-])CNCCO1	REAL000000126400	1	37	-1.0	-48.77	320.37	5.09	-43.69
CN(CC1=CC=C(F)C(Br)=C1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000126403	0	41	-1.0	-55.99	356.02	10.81	-45.19
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CCS(=O)(=O)N(C)CCNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000126410	1	41	-1.0	-54.20	341.25	-1.73	-55.93
CCS(=O)(=O)N(C)CCNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000126411	0	45	-1.0	-61.48	371.13	4.00	-57.48
COC1=CC=C(C2CCCN(C(=O)C3(C(=O)[O-])CNCCO3)C2)C=C1F	REAL000000126412	1	48	-1.0	-48.85	367.90	5.08	-43.76
COC1=CC=C(C2CCCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)C2)C=C1F	REAL000000126415	0	52	-1.0	-49.61	401.27	10.93	-38.68
CC(F)(F)C1CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL000000126416	1	40	-1.0	-51.19	304.01	3.73	-47.46
CC(F)(F)C1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000126417	0	44	-1.0	-60.57	338.95	9.53	-51.04
COC1=CN=CC(CN(C)C(=O)C2(C(=O)[O-])CNCCO2)=C1	REAL000000126421	1	40	-1.0	-54.55	317.85	1.91	-52.64
COC1=CN=CC(CN(C)C(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL000000126422	0	44	-1.0	-61.04	353.73	7.63	-53.41
O=C([O-])C1CC12CCC(C(=O)NCC(F)C1=CC=CC=C1)C2	REAL000000126427	0	41	-1.0	-59.15	339.95	8.92	-50.22
O=C([O-])C1(C(=O)NCC2CC(C(F)(F)F)C2)CNCCO1	REAL000000126428	1	37	-1.0	-50.52	310.56	2.43	-48.09
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COC1=CC=CC(C2CCCN(C(=O)C3(C(=O)[O-])CNCCO3)C2)=C1F	REAL000000126430	1	48	-1.0	-63.75	366.61	5.06	-58.69
COC1=CC=CC(C2CCCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)C2)=C1F	REAL000000126433	0	52	-1.0	-54.75	399.00	10.87	-43.88
O=C([O-])C1(C(=O)N2CCC3=CC(O)=CC(F)=C3C2)CNCCO1	REAL000000126434	1	39	-1.0	-46.75	310.54	1.62	-45.12
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COC1=CC=C(C2CCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)C2(C)C)C=C1F	REAL000000126438	0	55	-1.0	-50.30	413.57	11.16	-39.14
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CC(C)OC1=CC=C(NCCNC(=O)C2(C(=O)[O-])CNCCO2)C=C1	REAL000000126444	1	49	-1.0	-48.28	386.28	2.13	-46.14
CC(C)OC1=CC=C(NCCNC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1	REAL000000126447	0	53	-1.0	-58.76	418.14	7.90	-50.85
COC1=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=CN=C1Br	REAL000000126448	1	34	-1.0	-45.46	303.02	0.30	-45.17
COC1=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=CN=C1Br	REAL000000126451	0	38	-1.0	-56.41	333.04	6.10	-50.31
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CS(=O)(=O)NC1=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=CC=C1Cl	REAL000000126455	1	39	-1.0	-51.71	345.84	-0.50	-52.21
CS(=O)(=O)NC1=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=CC=C1Cl	REAL000000126458	0	43	-1.0	-54.17	374.03	5.25	-48.91
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O=C([O-])C1CC12CCC(C(=O)N[C@@H]1COC[C@H]1N1CCCC1)C2	REAL000000126468	1	48	-1.0	-48.16	366.38	4.54	-43.61
O=C([O-])C1(C(=O)NCC2=CC=CC(C3=NNC=N3)=C2)CNCCO1	REAL000000126471	1	40	-1.0	-57.77	337.00	3.18	-54.58
O=C([O-])C1CC12CCC(C(=O)NCC1=CC=CC(C3=NNC=N3)=C1)C2	REAL000000126473	0	44	-1.0	-64.59	368.88	8.96	-55.63
C[C@@H](NC(=O)C1(C(=O)[O-])CNCCO1)C1=C2C=CN=CC2=CC=C1	REAL000000126474	1	42	-1.0	-52.44	338.08	3.61	-48.83
C[C@@H](NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=C2C=CN=CC2=CC=C1	REAL000000126476	0	46	-1.0	-57.97	367.39	9.36	-48.61
COC(=O)[C@H]1CCC[C@H]1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000126477	0	44	-1.0	-50.17	347.97	8.25	-41.92
N#CC(C#N)C1CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL000000126478	1	39	-1.0	-48.71	312.71	3.40	-45.31
N#CC(C#N)C1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000126479	0	43	-1.0	-68.26	342.48	9.02	-59.24
O=C([O-])C1CC12CCC(C(=O)NC1(CCO)CCCSC1)C2	REAL000000126480	0	46	-1.0	-53.87	352.19	6.11	-47.75
COC(=O)C1CC(F)(F)CCN1C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000126482	0	44	-1.0	-50.19	346.33	9.68	-40.52
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL000000126485	0	48	-1.0	-58.59	382.07	5.47	-53.12
CCOC(=O)C1N(C(=O)C2CCC3(CC3C(=O)[O-])C2)CCC1(F)F	REAL000000126487	0	44	-1.0	-52.63	358.83	9.82	-42.81
O=C([O-])C1CC12CCC(C(=O)N1CCC3=CC=CC=C3C1C1=CC=CN=C1)C2	REAL000000126492	0	51	-1.0	-49.27	394.86	11.92	-37.35
O=C([O-])C1(C(=O)NCCC2=CNC3=CC(F)=CC(F)=C23)CNCCO1	REAL000000126493	1	41	-1.0	-57.95	349.35	3.33	-54.62
O=C([O-])C1CC12CCC(C(=O)NCCC1=CNC3=CC(F)=CC(F)=C13)C2	REAL000000126496	0	45	-1.0	-64.78	379.26	9.05	-55.73
CN1C=C(C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C2CCC2)C=N1	REAL000000126497	0	48	-1.0	-58.79	373.76	9.16	-49.63
CC(C)(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=NC=CC(C(F)(F)F)=N1	REAL000000126500	0	45	-1.0	-58.28	374.13	7.89	-50.39
CC(C)C1CC2=CC(F)=CC=C2N(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000126503	0	51	-1.0	-47.89	384.55	12.36	-35.53
CN1N=CC=C1C(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=CC=C1	REAL000000126506	0	48	-1.0	-60.68	390.87	9.60	-51.08
CC(C)(C#N)C1=CC=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=C1	REAL000000126507	1	41	-1.0	-51.79	332.77	4.10	-47.69
CC(C)(C#N)C1=CC=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL000000126508	0	45	-1.0	-61.32	364.51	9.96	-51.36
CCCCCNC(=O)C1=CC=CC=C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000126511	0	54	-1.0	-53.01	424.64	9.93	-43.07
CN1N=NC(CNC(=O)C2(C(=O)[O-])CNCCO2)=C1C(F)(F)F	REAL000000126512	1	36	-1.0	-51.25	311.48	-0.53	-51.78
CN1N=NC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1C(F)(F)F	REAL000000126514	0	40	-1.0	-58.99	343.22	5.26	-53.72
CN1N=CC=C1C(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=CN=C1	REAL000000126519	0	47	-1.0	-61.12	385.79	7.78	-53.34
O=C([O-])C1(C(=O)NC2=CC=C(OCC3=NNC=N3)C=C2)CNCCO1	REAL000000126520	1	41	-1.0	-59.09	343.75	2.56	-56.53
[NH3+][C@@H](CC(=O)NC1=CC=C(OCC2=NN=C[N-]2)C=C1)C(=O)[O-]	REAL000000126522	1	36	-1.0	-68.02	311.29	2.70	-65.32
O=C([O-])C1CC12CCC(C(=O)NC1=CC=C(OCC3=NNC=N3)C=C1)C2	REAL000000126523	0	45	-1.0	-67.52	373.80	8.36	-59.15
O=C([O-])C1CC12CCC(C(=O)NC1=CC=C(OCC3=NN=CN3)C=C1)C2	REAL000000126523	1	45	-1.0	-65.86	372.52	8.88	-56.98
O=C([O-])C1(C(=O)NC2CC23CCC2=CC(Br)=CC=C23)CNCCO1	REAL000000126524	1	42	-1.0	-50.22	359.43	5.64	-44.58
COC1=CC(C)=NC(C)=C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000126527	0	44	-1.0	-60.57	357.23	7.18	-53.39
CC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=NNC(=O)N1C	REAL000000126531	0	41	-1.0	-58.25	339.05	4.97	-53.28
O=C([O-])C1CC12CCC(C(=O)N1CCC3CCCC(C3)C1)C2	REAL000000126532	0	48	-1.0	-46.53	332.54	10.61	-35.93
O=C([O-])C1CC12CCC(C(=O)NC1(C3=CC=CC(F)=C3)CCCCC1)C2	REAL000000126535	0	51	-1.0	-63.14	386.77	11.81	-51.33
COCC1(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CC(F)(F)C1	REAL000000126536	0	42	-1.0	-47.59	339.72	6.15	-41.44
O=C([O-])C1CC12CCC(C(=O)NC1(C3=CC=C(Cl)C=C3)CCCCCC1)C2	REAL000000126539	0	54	-1.0	-47.71	401.03	13.08	-34.63
CC1(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CCC2=CC=CC=C2C1	REAL000000126540	0	48	-1.0	-57.26	363.64	10.66	-46.60
CN1C=C(C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C2=CC=CN=C2)C=N1	REAL000000126543	0	47	-1.0	-61.32	388.97	8.13	-53.20
O=C([O-])C1CC12CCC(C(=O)N[C@@H]1COC[C@H]1N1CCOCC1)C2	REAL000000126545	0	49	-1.0	-50.33	373.81	3.06	-47.27
O=C([O-])C1CC12CCC(C(=O)N[C@H](C1CCOCC1)C(F)(F)F)C2	REAL000000126547	0	45	-1.0	-50.30	352.33	7.27	-43.03
O=C([O-])C1(C(=O)NC2=NC3=C(S2)C(=O)COC3)CNCCO1	REAL000000126552	1	34	-1.0	-49.39	298.99	-0.33	-49.72
O=C([O-])C1CC12CCC(C(=O)NC1=NC3=C(S1)C(=O)COC3)C2	REAL000000126553	0	38	-1.0	-58.71	328.31	5.46	-53.25
O=C([O-])C1CC12CCC(C(=O)N1CCC(C3=NOC=C3)C1)C2	REAL000000126560	0	41	-1.0	-51.63	323.65	8.00	-43.63
O=C([O-])C1CC12CCC(C(=O)N1[C@H]3CCCC[C@H]3C[C@H]1C(F)(F)F)C2	REAL000000126567	0	48	-1.0	-47.96	358.08	10.81	-37.15
CCC1(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CCCCCC1	REAL000000126568	0	50	-1.0	-52.22	346.10	10.49	-41.73
O=C([O-])C1(C(=O)NCCC2=CC(O)=CC=C2Br)CNCCO1	REAL000000126569	1	38	-1.0	-48.62	330.51	0.69	-47.93
O=C([O-])C1CC12CCC(C(=O)NCCC1=CC(O)=CC=C1Br)C2	REAL000000126572	0	42	-1.0	-59.08	362.38	6.47	-52.62
O=C([O-])C1(C(=O)NC2CCN3C(=O)NN=C3C2)CNCCO1	REAL000000126573	1	38	-1.0	-50.68	309.97	-0.31	-50.99
O=C([O-])C1CC12CCC(C(=O)NC1CCN3C(=O)NN=C3C1)C2	REAL000000126574	0	42	-1.0	-67.20	337.14	5.35	-61.85
COC1=CC=C2NC3=C(CCCC3NC(=O)C3(C(=O)[O-])CNCCO3)C2=C1	REAL000000126575	1	49	-1.0	-50.13	383.07	3.59	-46.54
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CCOC(=O)C1(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CC2(CC(F)(F)C2)C1	REAL000000126780	0	51	-1.0	-63.93	414.51	10.06	-53.87
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CC(C)N(CCC1=CC=C(F)C=C1F)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000126788	0	50	-1.0	-57.32	394.02	12.39	-44.93
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CC(C)NS(=O)(=O)NCCNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000126797	1	43	-1.0	-52.00	360.03	-4.31	-56.31
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CN1N=C(CNC(=O)C2(C(=O)[O-])CNCCO2)C=C1Cl	REAL000000126837	1	34	-1.0	-47.53	300.87	0.39	-47.14
CN1N=C(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1Cl	REAL000000126838	0	38	-1.0	-57.76	332.75	6.16	-51.61
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CC1=CC=C(C2=NC3=CC=CC=C3S2)C=C1NC(=O)C1(C(=O)[O-])CNCCO1	REAL000000126850	1	46	-1.0	-64.03	386.61	6.24	-57.79
O=C([O-])C1CC12CCC(C(=O)N1CCOCC13CCOCC3)C2	REAL000000126854	0	47	-1.0	-54.65	336.76	6.19	-48.46
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CC1=CC=C(OCCN(C)C(=O)C2(C(=O)[O-])CNCCO2)C=C1	REAL000000126861	1	44	-1.0	-52.28	346.59	5.40	-46.87
CC1=CC=C(OCCN(C)C(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1	REAL000000126862	0	48	-1.0	-57.74	381.22	10.47	-47.27
NS(=O)(=O)C1=C2CN(C(=O)C3(C(=O)[O-])CNCCO3)CCN2N=C1	REAL000000126863	1	40	-1.0	-46.77	330.99	-3.76	-50.52
NS(=O)(=O)C1=C2CN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CCN2N=C1	REAL000000126866	0	44	-1.0	-60.27	362.28	1.98	-58.29
COC1=CC(C(F)CNC(=O)C2(C(=O)[O-])CNCCO2)=CC=C1Cl	REAL000000126867	1	41	-1.0	-51.91	355.61	3.06	-48.84
COC1=CC(C(F)CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=CC=C1Cl	REAL000000126870	0	45	-1.0	-60.29	385.51	8.79	-51.50
CC1=CC=C(C(F)CNC(=O)C2(C(=O)[O-])CNCCO2)C=C1C	REAL000000126871	1	43	-1.0	-52.61	348.57	4.41	-48.20
CC1=CC=C(C(F)CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1C	REAL000000126872	0	47	-1.0	-59.40	378.38	10.13	-49.27
COC1=CC=CC(NC(=O)CNC(=O)C2(C(=O)[O-])CNCCO2)=C1	REAL000000126873	1	42	-1.0	-57.15	346.48	0.08	-57.07
COC1=CC=CC(NC(=O)CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL000000126875	0	46	-1.0	-61.17	376.77	5.83	-55.34
COC1=CC=C2C(=C1)CCN2C(=O)C1(C(=O)[O-])CNCCO1	REAL000000126876	1	39	-1.0	-52.48	306.40	3.67	-48.81
COC1=CC=C2C(=C1)CCN2C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000126877	0	43	-1.0	-56.78	340.56	9.43	-47.35
COC1=CC(F)=C(CNC(=O)C2(C(=O)[O-])CNCCO2)C=C1OC	REAL000000126878	1	42	-1.0	-48.99	346.23	1.59	-47.40
COC1=CC(F)=C(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1OC	REAL000000126881	0	46	-1.0	-59.83	378.12	7.36	-52.48
COC(=O)C1(C2=CC=C(NC(=O)C3(C(=O)[O-])CNCCO3)C=C2)CCCC1	REAL000000126882	1	50	-1.0	-55.58	389.11	5.80	-49.78
COC(=O)C1(C2=CC=C(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C=C2)CCCC1	REAL000000126885	0	54	-1.0	-59.10	419.51	11.64	-47.46
CC1=CC=C(C23CC2CN(C(=O)C2(C(=O)[O-])CNCCO2)C3)C=C1	REAL000000126886	1	45	-1.0	-52.77	349.99	6.68	-46.08
CC1=CC=C(C23CC2CN(C(=O)C2CCC4(CC4C(=O)[O-])C2)C3)C=C1	REAL000000126888	0	49	-1.0	-47.30	382.97	12.41	-34.89
COC1=CC=CC(C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C2=CC=CC=C2)=C1	REAL000000126891	0	52	-1.0	-50.11	416.07	11.41	-38.71
CS(=O)(=O)C1=C(CNC(=O)C2(C(=O)[O-])CNCCO2)SC=C1	REAL000000126893	1	37	-1.0	-50.23	324.30	-0.83	-51.06
CS(=O)(=O)C1=C(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)SC=C1	REAL000000126896	0	41	-1.0	-63.76	355.41	5.47	-58.29
CN1C=C(CNC(=O)C2(C(=O)[O-])CNCCO2)C2=CC=CC=C21	REAL000000126897	1	41	-1.0	-55.40	336.19	4.12	-51.28
CN1C=C(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C2=CC=CC=C21	REAL000000126898	0	45	-1.0	-58.75	368.06	9.89	-48.86
COC(=O)C1CCC2(CC(NC(=O)C3(C(=O)[O-])CNCCO3)C2)CC1	REAL000000126899	1	50	-1.0	-55.91	385.06	4.33	-51.58
COC(=O)C1CCC2(CC(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C2)CC1	REAL000000126902	0	54	-1.0	-54.53	412.83	10.02	-44.51
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CC(C)C1COCCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000126910	1	44	-1.0	-53.87	317.03	2.61	-51.26
CC(C)C1COCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000126911	0	48	-1.0	-49.45	347.69	8.28	-41.17
C[C@H](NC(=O)C1(C(=O)[O-])CNCCO1)C1=CC=CC(OC(F)(F)F)=C1	REAL000000126912	1	41	-1.0	-48.89	347.33	3.02	-45.87
C[C@H](NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=CC(OC(F)(F)F)=C1	REAL000000126915	0	45	-1.0	-47.36	375.09	8.68	-38.68
CN1C(C)(CNC(=O)C2(C(=O)[O-])CNCCO2)CCS1(=O)=O	REAL000000126916	1	42	-1.0	-56.68	330.22	-1.40	-58.09
CN1C(C)(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CCS1(=O)=O	REAL000000126918	0	46	-1.0	-65.84	367.01	4.49	-61.35
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CC1=C2C(=CC=C1)C(CCNC(=O)C1(C(=O)[O-])CNCCO1)=CN2C	REAL000000126921	1	47	-1.0	-56.24	373.97	5.35	-50.89
CC1=C2C(=CC=C1)C(CCNC(=O)C1CCC3(CC3C(=O)[O-])C1)=CN2C	REAL000000126924	0	51	-1.0	-63.74	404.55	11.10	-52.64
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CN(CC1CCCCC12CCC2)C(=O)C1(C(=O)[O-])CNCCO1	REAL000000126931	1	50	-1.0	-51.51	351.77	5.92	-45.59
CN(CC1CCCCC12CCC2)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000126932	0	54	-1.0	-46.91	376.79	11.41	-35.50
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C[C@@H](NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL000000126936	0	51	-1.0	-50.07	403.64	12.37	-37.69
COC(=O)CC1CC(NC(=O)C2(C(=O)[O-])CNCCO2)CCO1	REAL000000126937	1	44	-1.0	-58.82	348.82	2.11	-56.71
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CCOC(=O)CC1(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CCC1	REAL000000126940	0	47	-1.0	-54.85	369.87	9.00	-45.85
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COC1=CC(C2CCCN(C(=O)C3(C(=O)[O-])CNCCO3)C2)=CC=C1C	REAL000000126994	1	51	-1.0	-53.02	381.76	5.76	-47.26
COC1=CC(C2CCCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)C2)=CC=C1C	REAL000000126997	0	55	-1.0	-48.55	415.12	11.61	-36.95
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CCOC(=O)C1(CNC(=O)C2(C(=O)[O-])CNCCO2)CC2(CCC2)C1	REAL000000127063	1	50	-1.0	-52.91	390.84	4.77	-48.13
CCOC(=O)C1(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CC2(CCC2)C1	REAL000000127066	0	54	-1.0	-55.22	413.46	10.67	-44.55
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COC1=CC=C2C(=C1)CCN(C(=O)C1CCC3(CC3C(=O)[O-])C1)C2C(C)C	REAL000000127078	0	55	-1.0	-63.69	405.17	11.50	-52.18
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CN1N=C(C(F)F)C=C1CNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000127083	1	37	-1.0	-50.02	317.08	0.74	-49.28
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CC1(C(F)(F)F)CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL000000127085	1	40	-1.0	-49.80	306.31	3.56	-46.23
CC1(C(F)(F)F)CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000127086	0	44	-1.0	-52.84	336.01	9.19	-43.65
CN1C=C(C23CCC2CCN3C(=O)C2CCC3(CC3C(=O)[O-])C2)C=N1	REAL000000127088	0	49	-1.0	-67.59	374.79	9.63	-57.96
CCOC(=O)C1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C12CCC2	REAL000000127090	0	51	-1.0	-61.43	385.73	10.30	-51.13
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CSCC1(C)CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000127099	0	48	-1.0	-56.88	364.32	10.11	-46.77
CC(N(C)C(=O)C1CCC2(CC2C(=O)[O-])C1)C1(S(C)(=O)=O)CC1	REAL000000127101	0	47	-1.0	-56.15	355.15	6.87	-49.28
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COC1=CC=C2CCN(C(=O)C3(C(=O)[O-])CNCCO3)CCC2=C1	REAL000000127105	1	45	-1.0	-49.91	334.88	4.31	-45.61
COC1=CC=C2CCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CCC2=C1	REAL000000127107	0	49	-1.0	-49.42	371.17	10.21	-39.22
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CS(=O)(=O)C1(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000127117	0	41	-1.0	-59.47	344.66	4.03	-55.44
CCO[C@@H]1CCCC[C@H]1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000127118	0	48	-1.0	-60.17	370.14	7.83	-52.34
O=C([O-])C1(C(=O)NCCC2=NC3=C(COCC3)S2)CNCCO1	REAL000000127119	1	41	-1.0	-53.82	344.74	0.48	-53.33
O=C([O-])C1CC12CCC(C(=O)NCCC1=NC3=C(COCC3)S1)C2	REAL000000127121	0	45	-1.0	-62.78	374.64	6.21	-56.57
CC1(CS(C)(=O)=O)CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL000000127122	1	46	-1.0	-58.94	340.86	0.95	-57.99
CC1(CS(C)(=O)=O)CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000127125	0	50	-1.0	-56.04	373.32	6.78	-49.27
O=C([O-])C1(C(=O)N2CCCC(COC(F)(F)F)C2)CNCCO1	REAL000000127126	1	41	-1.0	-49.60	329.45	2.65	-46.95
O=C([O-])C1CC12CCC(C(=O)N1CCCC(COC(F)(F)F)C1)C2	REAL000000127128	0	45	-1.0	-46.95	360.55	8.43	-38.53
O=C([O-])C1(C(=O)N2CCCC(C3=CC=C(F)C(O)=C3)C2)CNCCO1	REAL000000127129	1	45	-1.0	-51.00	349.43	2.92	-48.09
O=C([O-])C1CC12CCC(C(=O)N1CCCC(C3=CC=C(F)C(O)=C3)C1)C2	REAL000000127132	0	49	-1.0	-50.11	382.78	8.77	-41.34
O=C([O-])C1(C(=O)NC[C@@H]2C[C@H]2C2=CC=CC(Cl)=C2Cl)CNCCO1	REAL000000127133	1	41	-1.0	-52.77	362.29	5.40	-47.37
O=C([O-])C1CC12CCC(C(=O)NC[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)C2	REAL000000127136	0	45	-1.0	-66.03	392.40	11.10	-54.93
O=C([O-])C1(C(=O)NCCN2C=NC3=C(C=CS3)C2=O)CNCCO1	REAL000000127137	1	39	-1.0	-61.93	341.15	2.44	-59.49
O=C([O-])C1CC12CCC(C(=O)NCCN1C=NC3=C(C=CS3)C1=O)C2	REAL000000127140	0	43	-1.0	-71.10	371.05	8.16	-62.94
O=C([O-])C1(C(=O)NCC2(C(F)(F)F)CC3CCC2CC3)CNCCO1	REAL000000127141	1	47	-1.0	-46.55	344.73	4.56	-41.99
O=C([O-])C1CC12CCC(C(=O)NCC1(C(F)(F)F)CC3CCC1CC3)C2	REAL000000127144	0	51	-1.0	-56.53	377.36	10.36	-46.17
CCOC(=O)C12CCC(CNC(=O)C3(C(=O)[O-])CNCCO3)(CC1)OC2(C)C	REAL000000127145	1	57	-1.0	-50.38	418.96	3.89	-46.49
COC(=O)C1(CNC(=O)C2(C(=O)[O-])CNCCO2)CC2CCC1CC2	REAL000000127148	1	50	-1.0	-49.29	367.92	4.41	-44.88
COC(=O)C1(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CC2CCC1CC2	REAL000000127151	0	54	-1.0	-56.67	397.83	10.14	-46.53
O=C([O-])C1(C(=O)N2CCC(C3=CC=C(F)C(F)=C3)C2)CNCCO1	REAL000000127152	1	41	-1.0	-50.59	328.90	5.20	-45.38
O=C([O-])C1CC12CCC(C(=O)N1CCC(C3=CC=C(F)C(F)=C3)C1)C2	REAL000000127154	0	45	-1.0	-52.50	362.10	10.87	-41.62
O=C([O-])C1(C(=O)NC2CC(CC3=CC=CC=C3)C2)CNCCO1	REAL000000127155	1	44	-1.0	-49.85	351.06	5.15	-44.70
O=C([O-])C1CC12CCC(C(=O)NC1CC(CC3=CC=CC=C3)C1)C2	REAL000000127156	0	48	-1.0	-57.06	382.33	10.94	-46.12
CC1CN(C(=O)C2(C(=O)[O-])CNCCO2)CCC(F)(F)C1	REAL000000127157	1	40	-1.0	-56.28	297.01	4.31	-51.97
CC1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CCC(F)(F)C1	REAL000000127158	0	44	-1.0	-50.25	331.69	9.63	-40.62
O=C([O-])C1(C(=O)NC2CC(CC(F)(F)F)C2)CNCCO1	REAL000000127159	1	37	-1.0	-52.38	308.45	2.53	-49.85
O=C([O-])C1CC12CCC(C(=O)NC1CC(CC(F)(F)F)C1)C2	REAL000000127160	0	41	-1.0	-57.95	339.72	8.33	-49.61
O=C([O-])C1(C(=O)NC2CCS(=O)(=O)C3=CC=C(F)C=C32)CNCCO1	REAL000000127161	1	41	-1.0	-51.33	333.01	0.06	-51.27
O=C([O-])C1CC12CCC(C(=O)NC1CCS(=O)(=O)C3=CC=C(F)C=C31)C2	REAL000000127164	0	45	-1.0	-69.96	371.70	5.94	-64.03
O=C([O-])C1(C(=O)N2CCOC(C3CCOC3)C2)CNCCO1	REAL000000127165	1	43	-1.0	-49.62	322.88	0.73	-48.89
O=C([O-])C1CC12CCC(C(=O)N1CCOC(C3CCOC3)C1)C2	REAL000000127166	0	47	-1.0	-47.65	349.06	6.51	-41.14
COC1=CC(F)=CC(C2CCCN(C(=O)C3(C(=O)[O-])CNCCO3)C2)=C1	REAL000000127167	1	48	-1.0	-51.07	368.09	5.08	-45.99
COC1=CC(F)=CC(C2CCCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)C2)=C1	REAL000000127170	0	52	-1.0	-48.16	401.26	10.91	-37.25
CCOC(=O)C1NC2CC1CN(C(=O)C1(C(=O)[O-])CNCCO1)C2	REAL000000127171	1	46	-1.0	-55.97	321.08	2.49	-53.48
O=C([O-])C1(C(=O)NC2=CC(F)=C(F)C(C(F)F)=C2)CNCCO1	REAL000000127173	1	34	-1.0	-47.21	303.32	3.22	-43.99
O=C([O-])C1CC12CCC(C(=O)NC1=CC(F)=C(F)C(C(F)F)=C1)C2	REAL000000127175	0	38	-1.0	-58.97	333.40	9.01	-49.96
O=C([O-])C1(C(=O)N2C[C@H]3CCCC[C@@]3(CO)C2)CNCCO1	REAL000000127176	1	45	-1.0	-60.70	329.66	1.19	-59.51
O=C([O-])C1CC12CCC(C(=O)N1C[C@H]3CCCC[C@@]3(CO)C1)C2	REAL000000127177	0	49	-1.0	-50.17	357.44	6.77	-43.40
O=C([O-])C1CC12CCC(C(=O)NC1CNC(=O)CC13CCC3)C2	REAL000000127178	0	46	-1.0	-49.85	353.91	5.56	-44.29
CCOC(=O)CC1CCC2(CC1)CCN(C(=O)C1(C(=O)[O-])CNCCO1)CC2	REAL000000127179	1	59	-1.0	-54.94	420.04	7.12	-47.82
COC(=O)CC1CCCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000127182	1	43	-1.0	-54.74	327.25	3.52	-51.22
COC(=O)CC1CCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000127183	0	47	-1.0	-50.32	360.66	9.40	-40.93
COC(=O)C12CCC(CNC(=O)C3(C(=O)[O-])CNCCO3)(CC1)OC2	REAL000000127184	1	48	-1.0	-50.05	371.16	2.06	-47.99
COC(=O)C12CCC(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)(CC1)OC2	REAL000000127187	0	52	-1.0	-49.36	399.19	7.73	-41.63
O=C([O-])C1(C(=O)NCC2=CC=CC=C2OCCO)CNCCO1	REAL000000127188	1	42	-1.0	-55.64	345.48	-0.44	-56.08
O=C([O-])C1CC12CCC(C(=O)NCC1=CC=CC=C1OCCO)C2	REAL000000127189	0	46	-1.0	-61.56	375.38	5.28	-56.28
COC(=O)C1=CC2=C(C=C(CNC(=O)C3(C(=O)[O-])CNCCO3)S2)S1	REAL000000127192	1	40	-1.0	-50.62	367.13	3.72	-46.89
COC(=O)C1=CC2=C(C=C(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)S2)S1	REAL000000127195	0	44	-1.0	-58.43	397.03	9.45	-48.98
CC(NC(=O)C1(C(=O)[O-])CNCCO1)C1=CC=C(OC(F)(F)F)C=C1	REAL000000127196	1	41	-1.0	-47.18	345.34	2.97	-44.22
CC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=C(OC(F)(F)F)C=C1	REAL000000127199	0	45	-1.0	-57.45	375.66	8.72	-48.73
O=C([O-])C1CC12CCC(C(=O)N1CCCCC1COC(F)(F)F)C2	REAL000000127201	0	45	-1.0	-47.55	346.26	9.45	-38.09
COC(=O)C[C@H]1CCCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000127204	1	43	-1.0	-56.44	329.34	3.69	-52.75
COC(=O)C[C@H]1CCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000127205	0	47	-1.0	-60.69	360.04	9.36	-51.33
COC(=O)C[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000127206	1	43	-1.0	-53.42	327.06	3.60	-49.82
COC(=O)C[C@@H]1CCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000127207	0	47	-1.0	-65.64	359.79	9.29	-56.35
CNS(=O)(=O)NCCNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000127208	1	37	-1.0	-52.63	318.27	-5.87	-58.49
CNS(=O)(=O)NCCNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000127209	0	41	-1.0	-65.29	348.15	-0.14	-65.43
CC1=NOC(C2CCN(C(=O)C3(C(=O)[O-])CNCCO3)C2)=C1	REAL000000127212	1	40	-1.0	-59.40	317.82	3.40	-56.00
CC1=NOC(C2CCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)C2)=C1	REAL000000127213	0	44	-1.0	-52.01	351.82	9.12	-42.89
O=C([O-])C1(C(=O)NC2=CC=CC3=C2CCOC3)CNCCO1	REAL000000127217	1	39	-1.0	-52.43	308.29	2.47	-49.97
O=C([O-])C1CC12CCC(C(=O)NC1=CC=CC3=C1CCOC3)C2	REAL000000127218	0	43	-1.0	-50.39	335.59	8.20	-42.20
COC(=O)[C@@H]1CC12CC(NC(=O)C1(C(=O)[O-])CNCCO1)C2	REAL000000127219	1	41	-1.0	-59.91	332.56	2.77	-57.14
COC(=O)[C@@H]1CC12CC(NC(=O)C1CCC3(CC3C(=O)[O-])C1)C2	REAL000000127220	0	45	-1.0	-59.65	363.94	8.53	-51.12
CC(=O)NC1=CC=C(CN(C)C(=O)C2(C(=O)[O-])CNCCO2)C=C1	REAL000000127221	1	44	-1.0	-53.97	347.72	3.27	-50.70
CC(=O)NC1=CC=C(CN(C)C(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1	REAL000000127223	0	48	-1.0	-62.16	384.09	8.98	-53.18
CC1=CC(Br)=CC(C)=C1CN(C)C(=O)C1(C(=O)[O-])CNCCO1	REAL000000127224	1	43	-1.0	-49.04	333.45	5.82	-43.21
CC1=CC(Br)=CC(C)=C1CN(C)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000127227	0	47	-1.0	-58.64	369.10	11.49	-47.15
O=C([O-])C1CC12CCC(C(=O)NC1=CC=CC=C1C(=O)NCC1=CC=CS1)C2	REAL000000127230	0	49	-1.0	-52.46	408.18	9.60	-42.87
CC(C)C(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C(=O)N(C)C	REAL000000127231	0	47	-1.0	-56.64	355.51	6.79	-49.85
O=C([O-])C1(C(=O)N2CCOC[C@]3(COC[C@H]4CCCCN43)C2)CNCCO1	REAL000000127232	1	55	-1.0	-51.03	360.24	1.44	-49.58
O=C([O-])C1CC12CCC(C(=O)N1CCOC[C@]3(COC[C@H]4CCCCN43)C1)C2	REAL000000127235	0	59	-1.0	-49.63	405.16	7.12	-42.51
CC(C)(C)[C@H]1C[C@@H](CO)CN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000127236	1	50	-1.0	-55.41	355.46	1.65	-53.76
CC(C)(C)[C@H]1C[C@@H](CO)CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000127238	0	54	-1.0	-51.98	390.60	7.44	-44.54
O=C([O-])C1CC12CCC(C(=O)N[C@H](C1=CC=CC=C1C(F)(F)F)C(F)F)C2	REAL000000127241	0	44	-1.0	-51.65	365.65	10.41	-41.24
O=C([O-])C1CC12CCC(C(=O)N[C@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F)C2	REAL000000127244	0	44	-1.0	-51.00	376.53	10.11	-40.89
O=C([O-])C1CC12CCC(C(=O)N1CCCCC13CCCC3)C2	REAL000000127245	0	48	-1.0	-46.99	338.44	10.29	-36.70
C[C@H]1CS(=O)(=O)CCN1C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000127246	0	41	-1.0	-65.79	317.30	4.76	-61.03
C[C@@H]1CS(=O)(=O)CCN1C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000127247	0	41	-1.0	-61.69	319.48	4.82	-56.87
CC(C)C1=CNN=C1CNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000127249	0	44	-1.0	-59.84	354.60	6.41	-53.44
O=C([O-])C1(C(=O)NCC2=CC(OC3=CC=C(F)C(F)=C3)=CC=N2)CNCCO1	REAL000000127250	1	44	-1.0	-51.76	380.25	3.51	-48.25
O=C(CC1=CC=CC=C1)NCCNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000127254	1	44	-1.0	-54.17	365.04	1.51	-52.65
O=C([O-])C1CC12CCC(C(=O)NCCNC(=O)CC1=CC=CC=C1)C2	REAL000000127256	0	48	-1.0	-61.81	394.91	7.24	-54.57
COCC(=O)NCCCNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000127257	1	41	-1.0	-57.51	339.25	-1.31	-58.82
COCC(=O)NCCCNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000127258	0	45	-1.0	-68.18	369.13	4.41	-63.77
O=C([O-])C1(C(=O)NC2CCC(N3CCOC3=O)CC2)CNCCO1	REAL000000127259	1	46	-1.0	-58.97	354.54	1.88	-57.09
O=C([O-])C1CC12CCC(C(=O)NC1CCC(N3CCOC3=O)CC1)C2	REAL000000127261	0	50	-1.0	-68.63	375.58	7.40	-61.23
O=C([O-])C1CC12CCC(C(=O)N1CCOC3C4=CC=CC=C4OCC31)C2	REAL000000127264	0	48	-1.0	-58.33	365.16	8.51	-49.82
COC(=O)C1(C2=CC=CC(NC(=O)C3(C(=O)[O-])CNCCO3)=C2)CCC1	REAL000000127265	1	47	-1.0	-51.72	378.53	5.31	-46.41
COC(=O)C1(C2=CC=CC(NC(=O)C3CCC4(CC4C(=O)[O-])C3)=C2)CCC1	REAL000000127268	0	51	-1.0	-53.99	405.25	11.05	-42.94
C[C@@H](CNC(=O)C1CCC2(CC2C(=O)[O-])C1)CC(F)(F)F	REAL000000127269	0	40	-1.0	-56.78	329.22	7.65	-49.12
CC1=CC(CNC(=O)C2(C(=O)[O-])CNCCO2)=CN=C1Cl	REAL000000127270	1	36	-1.0	-47.60	314.33	1.60	-45.99
CC1=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=CN=C1Cl	REAL000000127271	0	40	-1.0	-56.38	344.22	7.33	-49.05
O=C([O-])C1CC12CCC(C(=O)NC1=CC=CN=C1OC(F)F)C2	REAL000000127272	0	38	-1.0	-50.11	323.03	5.46	-44.66
CN1C(C2CC2)=C(NC(=O)C2(C(=O)[O-])CNCCO2)C(=O)N1C1=CC=CC=C1	REAL000000127273	1	49	-1.0	-80.75	400.68	5.34	-75.41
CN1C(C2CC2)=C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C(=O)N1C1=CC=CC=C1	REAL000000127276	0	53	-1.0	-67.79	426.95	11.07	-56.72
CC(CNC(=O)C1(C(=O)[O-])CNCCO1)C1=CC=NC=C1Br	REAL000000127277	1	39	-1.0	-48.13	334.09	2.48	-45.65
CC(CNC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=NC=C1Br	REAL000000127280	0	43	-1.0	-58.81	363.98	8.21	-50.60
COC(=O)C(C#N)C1CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL000000127281	1	44	-1.0	-48.29	344.51	3.74	-44.55
COC(=O)C(C#N)C1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000127283	0	48	-1.0	-65.84	374.28	9.37	-56.47
O=C([O-])C1CC12CCC(C(=O)N1CCCC1C1=CC(F)=CC(F)=C1F)C2	REAL000000127286	0	45	-1.0	-47.85	366.18	11.52	-36.32
O=C([O-])C1(C(=O)NCC2=NN=C3C=CC=CN32)CNCCO1	REAL000000127287	1	36	-1.0	-60.71	305.41	2.72	-57.99
O=C([O-])C1CC12CCC(C(=O)NCC1=NN=C3C=CC=CN31)C2	REAL000000127288	0	40	-1.0	-60.74	335.30	8.43	-52.30
O=C([O-])C1(C(=O)NCC2=CC=C3C=CC=CC3=C2F)CNCCO1	REAL000000127289	1	40	-1.0	-55.42	332.53	4.56	-50.86
O=C([O-])C1CC12CCC(C(=O)NCC1=CC=C3C=CC=CC3=C1F)C2	REAL000000127291	0	44	-1.0	-58.14	364.41	10.33	-47.81
N#CC1(NC(=O)CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000127292	0	40	-1.0	-63.72	341.01	4.51	-59.22
CC1=CC=C(CN2CCN(C(=O)C3(C(=O)[O-])CNCCO3)CC2)C=C1	REAL000000127293	1	49	-1.0	-47.38	369.23	4.24	-43.14
CC1=CC=C(CN2CCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CC2)C=C1	REAL000000127296	0	53	-1.0	-52.71	401.29	9.91	-42.80
O=C([O-])C1(C(=O)N2CCCCCC3=CC=CC=C3C2)CNCCO1	REAL000000127297	1	47	-1.0	-49.97	331.67	5.72	-44.25
O=C([O-])C1CC12CCC(C(=O)N1CCCCCC3=CC=CC=C3C1)C2	REAL000000127299	0	51	-1.0	-60.58	358.42	11.79	-48.79
O=C([O-])C1CC12CCC(C(=O)NC1(CC3=CC=C(Cl)C=C3)CC1)C2	REAL000000127301	0	45	-1.0	-59.60	373.94	10.81	-48.79
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COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1OCCC(C)C	REAL000000127920	0	55	-1.0	-58.10	446.77	6.84	-51.26
CCCCCCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL000000127921	0	58	-1.0	-58.17	472.19	7.88	-50.29
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CC1=CC(OCCCC(=O)NCCOCCOCC(=O)[O-])=CC=C1Cl	REAL000000127928	0	48	-1.0	-58.01	417.17	6.74	-51.27
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CCOC1=CC=C(C(=O)CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000127931	0	50	-1.0	-56.54	423.13	6.12	-50.42
CC(C)C(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL000000127932	0	47	-1.0	-55.43	397.05	8.00	-47.44
CC1(C)NC(=O)N(CC(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000127933	0	43	-1.0	-63.04	372.67	1.14	-61.90
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COC1=CC=C(OCCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000127935	0	49	-1.0	-59.65	411.22	4.93	-54.72
CC(C)(C)C1=CC=C(OCCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000127936	0	57	-1.0	-58.37	457.89	7.97	-50.40
CCOC1=CC=CC=C1OCCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000127937	0	52	-1.0	-62.44	432.82	6.47	-55.97
CC1=CC=C(OCCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000127938	0	48	-1.0	-58.82	403.13	6.31	-52.51
CC1=CC=CC(OCCCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000127939	0	48	-1.0	-59.02	403.13	6.30	-52.72
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CC1=NN(CC(C)C)C(Cl)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000127941	0	47	-1.0	-55.98	407.08	5.18	-50.80
CC1=CC=C(OCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000127942	0	42	-1.0	-59.30	360.68	5.81	-53.49
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COC1=CC=CC=C1C(=O)NC(C(=O)NCCOCCOCC(=O)[O-])C(C)C	REAL000000127944	0	55	-1.0	-58.21	443.30	5.74	-52.47
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000127945	0	54	-1.0	-54.92	441.53	5.97	-48.94
CC1=CC=CC=C1C(=O)NC(C(=O)NCCOCCOCC(=O)[O-])C(C)C	REAL000000127946	0	54	-1.0	-56.30	430.36	6.26	-50.03
CC(NS(=O)(=O)C1=CC=CC=C1F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000127947	0	46	-1.0	-62.67	407.52	1.63	-61.03
CCCCC1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000127948	0	53	-1.0	-54.47	407.05	7.48	-46.99
CCCOC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1OCC	REAL000000127949	0	56	-1.0	-58.79	464.10	7.64	-51.15
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CCC1=CC=C(C(=O)CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000127951	0	49	-1.0	-55.89	414.86	7.29	-48.60
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CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000127953	0	51	-1.0	-56.47	434.40	7.13	-49.34
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COC1=CC=CC=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000127955	0	42	-1.0	-58.85	358.67	4.59	-54.26
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL000000127956	0	40	-1.0	-61.32	349.89	5.74	-55.59
O=C([O-])COCCOCCNC(=O)CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL000000127957	0	47	-1.0	-65.43	415.01	4.35	-61.08
COC1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000127958	0	45	-1.0	-56.07	381.26	5.33	-50.74
CC1=NN(CC(C)C)C(Cl)=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000127959	0	51	-1.0	-55.90	438.77	6.55	-49.35
CC1=C(C)C2=C(N=CN(CC(=O)NCCOCCOCC(=O)[O-])C2=O)S1	REAL000000127960	0	46	-1.0	-63.47	403.74	6.22	-57.25
CCCCN1N=C(C)C(C=CC(=O)NCCOCCOCC(=O)[O-])=C1Cl	REAL000000127961	0	51	-1.0	-55.91	446.67	6.96	-48.95
O=C([O-])COCCOCCNC(=O)CN1CSCC1=O	REAL000000127962	0	37	-1.0	-63.01	334.65	2.61	-60.40
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CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000127965	0	43	-1.0	-59.07	375.95	0.19	-58.88
CN1C(=O)C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2C1=O	REAL000000127966	0	42	-1.0	-59.46	371.60	3.80	-55.66
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL000000127967	0	42	-1.0	-56.91	392.08	7.14	-49.77
COC1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL000000127968	0	49	-1.0	-58.08	410.50	5.25	-52.83
O=C([O-])COCCOCCNC(=O)CN1N=NC(C2=CC=CC=C2)=N1	REAL000000127969	0	43	-1.0	-64.71	382.04	4.23	-60.48
CC1=CC=C(SCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000127970	0	45	-1.0	-55.73	391.95	7.17	-48.56
CC1=CC(=O)OC2=CC(OCC(=O)NCCOCCOCC(=O)[O-])=CC=C12	REAL000000127971	0	47	-1.0	-69.49	405.10	7.20	-62.29
CC(C)C(NC(=O)C1=CC=C(F)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000127972	0	51	-1.0	-53.69	421.74	5.37	-48.32
CCCCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000127973	0	48	-1.0	-56.14	399.98	6.39	-49.75
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COC1=CC=C(OCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000127976	0	43	-1.0	-59.86	368.77	4.43	-55.42
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CC1=CC=CC(OCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000127979	0	42	-1.0	-59.57	360.68	5.80	-53.76
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CC1=CC(OCC(=O)NCCOCCOCC(=O)[O-])=CC(C)=C1	REAL000000127981	0	45	-1.0	-59.54	382.09	6.47	-53.07
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COC1=CC=CC=C1OCC(=O)NCCOCCOCC(=O)[O-]	REAL000000127983	0	43	-1.0	-63.44	368.52	4.90	-58.54
CC1=CC=C(C)C(OCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000127984	0	45	-1.0	-59.12	380.76	6.51	-52.61
O=C([O-])COCCOCCNC(=O)COC1=CC=CC=C1C1=CC=CC=C1	REAL000000127985	0	49	-1.0	-61.10	418.00	8.83	-52.27
CC1=CC=C(OCC(=O)NCCOCCOCC(=O)[O-])C=C1C	REAL000000127986	0	45	-1.0	-59.74	377.67	6.34	-53.41
CC1=CC=CC(OCCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000127987	0	45	-1.0	-56.07	381.63	5.54	-50.53
CC1=CC(C)=C(OCC(=O)NCCOCCOCC(=O)[O-])C(C)=C1	REAL000000127988	0	48	-1.0	-58.45	402.49	7.27	-51.18
O=C([O-])COCCOCCNC(=O)CNC(=O)CC1=CC=CC=C1	REAL000000127989	0	45	-1.0	-57.33	389.32	3.72	-53.61
O=C([O-])COCCOCCNC(=O)CCNC(=O)C1=CC=C(Cl)C=C1	REAL000000127990	0	45	-1.0	-63.55	403.55	4.19	-59.35
CC(C)(C)C1=CC=C(C(=O)NCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000127991	0	57	-1.0	-64.37	462.94	6.01	-58.36
CC1=CC=C(S(=O)(=O)NC(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000127992	0	49	-1.0	-63.29	422.12	2.18	-61.11
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CC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128049	0	42	-1.0	-56.34	361.66	6.41	-49.93
CC1=NN(C2=CC=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=N2)C(C)=C1	REAL000000128050	0	47	-1.0	-56.48	416.91	6.99	-49.49
CCN1N=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C2C1=O	REAL000000128051	0	46	-1.0	-56.41	391.57	4.91	-51.51
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COC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1OC(F)F	REAL000000128055	0	43	-1.0	-62.59	372.11	5.17	-57.42
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CSC1=CC=C(C(=O)CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128070	0	47	-1.0	-56.34	410.87	6.84	-49.50
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CC1=CC=CC=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000128072	0	42	-1.0	-56.37	357.80	6.28	-50.09
CCOC1=CC=CC=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000128073	0	46	-1.0	-59.83	390.48	6.06	-53.77
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CC(C)COC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128075	0	48	-1.0	-58.78	398.67	6.27	-52.50
CC(OC1=CC=CC(Cl)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128076	0	42	-1.0	-57.48	372.64	6.27	-51.21
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CC1=CC=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128078	0	42	-1.0	-56.40	361.67	6.41	-49.99
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COC1=CC=C(C=CC(=O)NC(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128081	0	53	-1.0	-57.29	448.20	4.40	-52.89
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000128082	0	52	-1.0	-59.96	437.75	7.90	-52.06
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128083	0	48	-1.0	-60.25	408.53	6.61	-53.63
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128084	0	48	-1.0	-56.70	430.81	7.01	-49.69
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128085	0	45	-1.0	-58.23	405.29	6.50	-51.73
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CCCOC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL000000128087	0	53	-1.0	-58.90	442.24	6.72	-52.18
COC1=CC=CC=C1N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL000000128088	0	50	-1.0	-69.81	422.23	5.19	-64.62
COCC1=C(C(=O)NCCOCCOCC(=O)[O-])OC2=CC=CC=C21	REAL000000128089	0	45	-1.0	-57.86	388.39	4.68	-53.17
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC2=C1C(=O)N1CCCC1=N2	REAL000000128092	0	47	-1.0	-64.64	403.58	5.67	-58.96
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O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1Cl	REAL000000128102	0	35	-1.0	-58.00	318.26	5.07	-52.93
O=C([O-])COCCOCCNC(=O)CC1=C2C=CC=CC2=CC=C1	REAL000000128103	0	44	-1.0	-58.90	373.03	7.33	-51.57
O=C([O-])COCCOCCNC(=O)CNC(=O)C1=CC=CC=C1	REAL000000128104	0	42	-1.0	-57.13	364.70	3.04	-54.09
O=C([O-])COCCOCCNC(=O)C1=CC=C(Br)C=C1	REAL000000128105	0	35	-1.0	-54.56	327.02	5.17	-49.39
CC1=CC=C(C)C(SCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128106	0	45	-1.0	-57.16	388.78	6.94	-50.22
O=C([O-])COCCOCCNC(=O)COC1=CC=CC=C1[N+](=O)[O-]	REAL000000128107	0	41	-1.0	-70.85	365.29	6.30	-64.55
O=C([O-])COCCOCCNC(=O)C1=CC=C(Cl)C=C1	REAL000000128108	0	35	-1.0	-54.68	322.45	5.06	-49.62
CCCCCCCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000128109	0	49	-1.0	-54.94	399.33	6.93	-48.01
O=C([O-])COCCOCCNC(=O)CCC(=O)C1=CC=CS1	REAL000000128110	0	40	-1.0	-56.10	362.86	4.95	-51.15
NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL000000128111	0	39	-1.0	-61.95	346.25	3.29	-58.66
CC(C)(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128112	0	47	-1.0	-56.08	381.84	6.88	-49.20
O=C([O-])COCCOCCNC(=O)C1=C(F)C=CC=C1Cl	REAL000000128113	0	35	-1.0	-59.33	331.51	4.88	-54.45
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1NC1=CC=CC=C1	REAL000000128114	0	47	-1.0	-58.85	394.47	7.11	-51.75
CCCCCCCCCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000128115	0	55	-1.0	-54.88	442.33	8.51	-46.38
O=C([O-])COCCOCCNC(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL000000128116	0	37	-1.0	-55.71	333.91	5.22	-50.49
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL000000128117	0	46	-1.0	-56.71	394.36	7.40	-49.31
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1C(F)(F)F	REAL000000128118	0	38	-1.0	-60.44	335.89	5.58	-54.85
O=C([O-])COCCOCCNC(=O)C1=CC=C(C(F)(F)F)C=C1	REAL000000128119	0	38	-1.0	-54.67	344.43	5.55	-49.12
O=C([O-])COCCOCCNC(=O)C1=CC=CC(Cl)=C1	REAL000000128120	0	35	-1.0	-56.70	322.46	5.06	-51.64
O=C([O-])COCCOCCNC(=O)C1=CC=CC(C(F)(F)F)=C1	REAL000000128121	0	38	-1.0	-57.45	344.45	5.54	-51.92
O=C([O-])COCCOCCNC(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL000000128122	0	37	-1.0	-62.07	346.71	6.74	-55.33
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL000000128123	0	40	-1.0	-58.57	344.06	5.72	-52.84
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL000000128124	0	42	-1.0	-53.06	372.21	6.40	-46.66
O=C([O-])COCCOCCNC(=O)CC(C1=CC=CC=C1)C1=CC=CC=C1	REAL000000128125	0	51	-1.0	-56.28	419.18	9.10	-47.18
O=C([O-])COCCOCCNC(=O)C1=CC(F)=C(F)C=C1Cl	REAL000000128126	0	35	-1.0	-53.44	330.93	5.20	-48.25
COC1=CC(OC)=C(C(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL000000128127	0	47	-1.0	-61.45	391.60	4.37	-57.08
CCC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000128128	0	44	-1.0	-55.59	365.85	6.45	-49.14
O=C([O-])COCCOCCNC(=O)C1(C2=CC=C(Cl)C=C2)CCCC1	REAL000000128129	0	48	-1.0	-57.32	400.59	8.38	-48.93
O=C([O-])COCCOCCNC(=O)C=CC1=CC=CC([N+](=O)[O-])=C1	REAL000000128130	0	41	-1.0	-60.91	368.46	6.40	-54.50
O=C([O-])COCCOCCNC(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL000000128131	0	38	-1.0	-57.37	357.48	6.44	-50.93
O=C([O-])COCCOCCNC(=O)C1=C(Cl)C2=CC=C(Cl)C=C2S1	REAL000000128132	0	38	-1.0	-54.67	374.20	6.95	-47.72
O=C([O-])COCCOCCNC(=O)C1=C(Cl)C2=CC=C(F)C=C2S1	REAL000000128133	0	38	-1.0	-54.86	363.88	6.51	-48.35
O=C([O-])COCCOCCNC(=O)CC1=CC=C(Br)C=C1	REAL000000128134	0	38	-1.0	-56.07	351.65	5.83	-50.24
O=C([O-])COCCOCCNC(=O)C1=CC=C(F)C=C1Cl	REAL000000128135	0	35	-1.0	-55.68	324.65	5.13	-50.54
O=C([O-])COCCOCCNC(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL000000128136	0	40	-1.0	-59.50	351.04	5.56	-53.94
COC1=CC=C(C(=O)NCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128137	0	46	-1.0	-57.35	394.10	2.37	-54.98
O=C([O-])COCCOCCNC(=O)C1=CC(=O)NC2=CC=CC=C21	REAL000000128138	0	41	-1.0	-57.76	352.53	3.62	-54.15
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CC=CC=C2)S1	REAL000000128139	0	42	-1.0	-56.50	375.86	7.23	-49.27
CC(C)SC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128140	0	45	-1.0	-58.74	379.31	6.94	-51.80
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1C(C)C	REAL000000128141	0	48	-1.0	-58.47	382.97	6.28	-52.20
NC(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000128142	0	44	-1.0	-64.05	359.09	1.07	-62.98
CCOC(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000128143	0	49	-1.0	-61.70	401.24	4.42	-57.28
CC(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000128144	0	45	-1.0	-62.44	365.81	3.60	-58.84
COC1=CC(OC)=C(OC)C=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000128145	0	51	-1.0	-61.53	426.54	4.34	-57.19
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128146	0	49	-1.0	-57.26	419.42	2.26	-55.00
CC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1Cl	REAL000000128147	0	42	-1.0	-55.73	375.69	6.84	-48.89
CC1=NN(C2=CC=CC=C2)N=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128148	0	44	-1.0	-56.77	382.88	4.76	-52.01
O=C([O-])COCCOCCNC(=O)CCC1=CC=C(C2=CC=CC=C2)O1	REAL000000128149	0	48	-1.0	-58.57	412.01	7.90	-50.67
O=C([O-])COCCOCCNC(=O)CCCN1C(=O)CNC1=O	REAL000000128150	0	43	-1.0	-65.63	373.25	0.96	-64.68
CCOC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(OCC)=C1OCC	REAL000000128151	0	56	-1.0	-57.33	463.08	6.53	-50.80
O=C([O-])COCCOCCNC(=O)C1=CC=C(I)C=C1	REAL000000128152	0	35	-1.0	-54.36	333.50	5.63	-48.72
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C([N+](=O)[O-])C=C1	REAL000000128153	0	41	-1.0	-58.27	368.44	6.40	-51.87
O=C([O-])COCCOCCNC(=O)CCCOC1=CC=C(Cl)C=C1Cl	REAL000000128154	0	45	-1.0	-59.29	414.48	6.70	-52.59
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128155	0	42	-1.0	-59.78	388.66	6.81	-52.97
O=C([O-])COCCOCCNC(=O)C1=CC=C(Cl)C=C1Cl	REAL000000128156	0	35	-1.0	-55.48	334.98	5.58	-49.90
CC(OC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128157	0	42	-1.0	-59.41	355.91	5.76	-53.65
COC1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128158	0	42	-1.0	-59.68	359.86	4.52	-55.15
CC1=CC=C(C(=O)NCC(=O)NCCOCCOCC(=O)[O-])S1	REAL000000128159	0	42	-1.0	-56.84	378.65	2.83	-54.01
CCC(OC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128160	0	45	-1.0	-59.46	371.03	6.35	-53.10
CC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1[N+](=O)[O-]	REAL000000128161	0	40	-1.0	-68.12	352.65	7.10	-61.02
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC(F)F)C=C1	REAL000000128162	0	39	-1.0	-57.64	344.88	4.13	-53.50
CC1=CC=C(Cl)C(OCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128163	0	42	-1.0	-60.98	376.71	6.34	-54.64
O=C([O-])COCCOCCNC(=O)COC1=CC=C2CCCC2=C1	REAL000000128164	0	46	-1.0	-60.02	384.83	7.05	-52.97
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CC=C2)=NO1	REAL000000128165	0	44	-1.0	-57.12	385.61	6.22	-50.90
CC1=CC(Cl)=CC=C1OC(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128166	0	45	-1.0	-57.77	393.52	6.94	-50.83
COC1=CC=C(Cl)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128167	0	39	-1.0	-58.25	349.78	5.63	-52.62
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C([N+](=O)[O-])C=C1OC	REAL000000128168	0	45	-1.0	-58.71	391.04	5.14	-53.58
O=C([O-])COCCOCCNC(=O)CCC(=O)C1=CC=C(Cl)S1	REAL000000128169	0	40	-1.0	-54.65	379.86	5.57	-49.08
O=C([O-])COCCOCCNC(=O)C1=CC2=C(CCCC2)S1	REAL000000128170	0	42	-1.0	-55.95	361.49	6.19	-49.76
O=C([O-])COCCOCCNC(=O)C1=CC2=C(CCC2)S1	REAL000000128171	0	39	-1.0	-56.20	343.75	5.57	-50.63
O=C([O-])COCCOCCNC(=O)C1=CC=C2SCC(=O)NC2=C1	REAL000000128172	0	41	-1.0	-58.49	365.67	3.57	-54.91
CCCCN1C(=O)C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2C1=O	REAL000000128173	0	51	-1.0	-59.16	436.41	6.35	-52.82
CCCOC1=CC=C(OCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128174	0	49	-1.0	-59.53	412.12	6.17	-53.36
CC1=C(C(=O)NCCOCCOCC(=O)[O-])OC2=CC=CC=C21	REAL000000128175	0	41	-1.0	-56.59	354.73	5.63	-50.96
O=C([O-])COCCOCCNC(=O)C1=CC=C(COC2=CC=CC=C2)C=C1	REAL000000128176	0	49	-1.0	-58.91	417.00	7.82	-51.09
O=C([O-])COCCOCCNC(=O)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL000000128177	0	49	-1.0	-60.35	416.97	7.82	-52.52
CCOC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128178	0	45	-1.0	-58.25	381.71	5.46	-52.79
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1C1=CC=CC=C1C	REAL000000128179	0	52	-1.0	-58.39	432.42	9.37	-49.02
CC1=CC(Cl)=CC=C1OCC(=O)NCCOCCOCC(=O)[O-]	REAL000000128180	0	42	-1.0	-57.97	376.07	6.36	-51.60
CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128181	0	52	-1.0	-68.26	442.97	5.64	-62.62
CC1SC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2NC1=O	REAL000000128182	0	44	-1.0	-57.96	385.14	4.29	-53.68
O=C([O-])COCCOCCNC(=O)C1=C(C2CC2)C=CS1	REAL000000128183	0	39	-1.0	-56.22	343.49	5.64	-50.59
O=C([O-])COCCOCCNC(=O)C1=C(C2=CC=CC=C2)C=CS1	REAL000000128184	0	42	-1.0	-56.90	371.91	7.14	-49.76
O=C([O-])COCCOCCNC(=O)CCC(=O)C1=CC=C2CCCC2=C1	REAL000000128185	0	50	-1.0	-56.63	417.52	7.78	-48.85
COC1=CC=C(C)C=C1N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL000000128186	0	53	-1.0	-70.16	443.63	5.85	-64.31
O=C([O-])COCCOCCNC(=O)C1CC(=O)N(C2=CC=CC=C2Cl)C1	REAL000000128187	0	46	-1.0	-66.59	408.95	6.55	-60.05
O=C([O-])COCCOCCNC(=O)C1=CC(Br)=CC=C1F	REAL000000128188	0	35	-1.0	-57.09	331.58	5.24	-51.85
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1SC(F)F	REAL000000128189	0	39	-1.0	-57.93	351.06	5.81	-52.12
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=CC=C2)N=C1	REAL000000128190	0	41	-1.0	-56.68	364.70	4.15	-52.53
O=C([O-])COCCOCCNC(=O)C1CC(=O)N(C2=CC=CC=C2F)C1	REAL000000128191	0	46	-1.0	-67.84	399.21	5.87	-61.97
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128192	0	44	-1.0	-64.48	395.74	6.82	-57.67
NC(=O)NC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128193	0	41	-1.0	-70.11	354.75	0.67	-69.44
NC(=O)NCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128194	0	44	-1.0	-60.43	380.84	0.75	-59.67
O=C([O-])COCCOCCNC(=O)C1CSCCS1	REAL000000128195	0	37	-1.0	-55.79	334.07	4.30	-51.50
O=C([O-])COCCOCCNC(=O)C1=CC=CC(NC(=O)C2CC2)=C1	REAL000000128196	0	46	-1.0	-69.27	392.92	5.04	-64.23
CCCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1OCCC	REAL000000128197	0	55	-1.0	-58.16	451.05	7.26	-50.90
COC1=CC=C(OC)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128198	0	43	-1.0	-60.45	362.50	4.43	-56.02
O=C([O-])COCCOCCNC(=O)C=CC1=CC=CC(Cl)=C1	REAL000000128199	0	39	-1.0	-56.36	357.00	6.25	-50.12
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL000000128200	0	37	-1.0	-58.84	349.16	6.41	-52.44
COC1=CC=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128201	0	43	-1.0	-58.15	369.74	5.04	-53.11
O=C([O-])COCCOCCNC(=O)C=CC1=CC=CC=C1[N+](=O)[O-]	REAL000000128202	0	41	-1.0	-66.98	365.95	6.32	-60.66
COC1=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=CC(OC)=C1OC	REAL000000128203	0	51	-1.0	-59.47	432.06	4.93	-54.54
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CC2=NN1	REAL000000128204	0	38	-1.0	-57.87	332.79	3.23	-54.64
O=C([O-])COCCOCCNC(=O)C1=NNC2=CC=CC=C21	REAL000000128204	1	38	-1.0	-58.94	334.60	3.20	-55.73
COC1=CC=CC=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000128205	0	43	-1.0	-59.77	368.62	5.12	-54.65
O=C([O-])COCCOCCNC(=O)CSC1=CC=C2C=CC=CC2=C1	REAL000000128206	0	45	-1.0	-58.75	394.97	7.93	-50.82
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)NCCOCCOCC(=O)[O-])C=N2	REAL000000128207	0	47	-1.0	-69.57	404.22	5.38	-64.19
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC=C2F)CCCC1	REAL000000128208	0	48	-1.0	-55.29	384.60	7.92	-47.38
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC(F)=C2)CCCC1	REAL000000128209	0	48	-1.0	-54.28	390.33	7.93	-46.35
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL000000128210	0	39	-1.0	-55.14	351.62	4.35	-50.79
COC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C2C=CC=CC2=C1	REAL000000128211	0	45	-1.0	-60.80	378.93	7.38	-53.43
CC1=CC=CC=C1OCC(=O)NCCOCCOCC(=O)[O-]	REAL000000128212	0	42	-1.0	-59.16	359.35	5.85	-53.31
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CC=C2Cl)=NO1	REAL000000128213	0	44	-1.0	-55.93	395.77	6.78	-49.14
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CC2=CC=C1	REAL000000128214	0	41	-1.0	-58.78	346.46	6.76	-52.02
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=CC=C2OC1=O	REAL000000128215	0	40	-1.0	-61.12	352.53	6.00	-55.12
CCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1OCC	REAL000000128216	0	49	-1.0	-58.67	408.06	5.65	-53.03
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL000000128217	0	41	-1.0	-63.40	361.12	5.32	-58.08
CC(C)(C)C1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000128218	0	53	-1.0	-54.15	393.80	6.70	-47.45
CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128219	0	57	-1.0	-56.65	452.15	7.09	-49.56
CC(NC(=O)C1=CC=CO1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128220	0	42	-1.0	-57.08	368.49	1.89	-55.19
CC(C1=CC=CC=C1)N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL000000128221	0	52	-1.0	-67.86	422.94	6.97	-60.89
O=C([O-])COCCOCCNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2	REAL000000128222	0	59	-1.0	-63.62	451.64	5.62	-58.00
O=C([O-])COCCOCCNC(=O)CCC1=CC=CS1	REAL000000128223	0	38	-1.0	-55.21	341.98	5.12	-50.09
CC1=C(C(=O)NCCOCCOCC(=O)[O-])NC2=C1C(=O)CCC2	REAL000000128224	0	45	-1.0	-63.86	374.55	4.56	-59.30
CC(C)CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128225	0	47	-1.0	-56.28	386.90	7.23	-49.05
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2CCCCC2)C=C1	REAL000000128226	0	51	-1.0	-55.87	407.52	8.37	-47.50
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COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1OC(F)F	REAL000000128246	0	43	-1.0	-58.54	374.10	4.06	-54.48
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CCCC1=CC=C(C(=O)CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128249	0	52	-1.0	-55.74	436.36	8.08	-47.67
CC(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000128250	0	44	-1.0	-54.48	365.19	6.46	-48.02
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CNS(=O)(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1OC	REAL000000128255	0	47	-1.0	-65.36	402.54	0.66	-64.70
CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128256	0	43	-1.0	-58.70	394.84	1.25	-57.45
CCOC1=CC=CC=C1N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL000000128257	0	53	-1.0	-69.63	444.08	6.12	-63.51
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CC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128259	0	57	-1.0	-57.74	460.37	6.23	-51.51
COC1=CC=CC=C1CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000128260	0	45	-1.0	-56.78	380.08	5.40	-51.39
CCC1=CC=C(N2CC(C(=O)NCCOCCOCC(=O)[O-])CC2=O)C=C1	REAL000000128261	0	52	-1.0	-60.43	427.44	6.94	-53.49
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O=C([O-])COCCOCCNC(=O)COC1=CC=C(F)C=C1Br	REAL000000128268	0	39	-1.0	-60.02	366.10	5.84	-54.18
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CC(=O)C1=CC=CC(OCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128270	0	44	-1.0	-67.61	379.76	5.52	-62.09
CSC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128271	0	39	-1.0	-58.72	341.45	5.56	-53.16
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CC(C)C1=CC=CC=C1OCC(=O)NCCOCCOCC(=O)[O-]	REAL000000128274	0	48	-1.0	-59.38	397.89	7.11	-52.27
CCCCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1OCC	REAL000000128275	0	55	-1.0	-58.26	451.05	7.24	-51.02
CC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1C	REAL000000128276	0	44	-1.0	-57.28	368.77	6.43	-50.85
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CCNS(=O)(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128279	0	46	-1.0	-62.52	403.35	1.58	-60.93
CN(C)S(=O)(=O)C1=CC=C(F)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128280	0	46	-1.0	-63.39	405.83	2.65	-60.74
CC(C)NS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128281	0	49	-1.0	-60.69	422.51	2.22	-58.47
COC1=CC=C(S(=O)(=O)CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128282	0	48	-1.0	-61.42	420.52	2.36	-59.07
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000128283	0	44	-1.0	-57.27	361.38	6.16	-51.10
O=C([O-])COCCOCCNC(=O)CCC(=O)C1=CC=C2CCCCC2=C1	REAL000000128284	0	53	-1.0	-56.32	434.71	8.36	-47.96
CN1C=NC2=C1C(=O)N(CC(=O)NCCOCCOCC(=O)[O-])C(=O)N2C	REAL000000128285	0	47	-1.0	-67.74	404.23	5.57	-62.16
CC(OC1=CC=C(F)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128286	0	42	-1.0	-58.27	363.13	5.77	-52.50
CCNS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128287	0	46	-1.0	-60.86	403.34	1.58	-59.28
C=CCNS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128288	0	47	-1.0	-59.20	416.14	2.10	-57.10
O=C([O-])COCCOCCNC(=O)CC1=CC=C2C=CC=CC2=C1	REAL000000128289	0	44	-1.0	-58.82	376.47	7.45	-51.37
O=C([O-])COCCOCCNC(=O)C1CCCN(C(=O)C2=CC=C(F)C=C2)C1	REAL000000128290	0	52	-1.0	-58.89	427.93	6.36	-52.52
CC(C)=CC1C(C(=O)NCCOCCOCC(=O)[O-])C1(C)C	REAL000000128291	0	48	-1.0	-54.96	392.28	6.74	-48.21
CS(=O)(=O)N1CCCCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128292	0	46	-1.0	-64.39	376.12	2.01	-62.38
CC1=CC=C(NC2=CC=CC=C2C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128293	0	50	-1.0	-58.71	417.53	7.85	-50.85
CC(=O)NC(C(=O)NCCOCCOCC(=O)[O-])C1CCCC1	REAL000000128294	0	48	-1.0	-68.24	384.31	4.73	-63.50
O=C([O-])COCCOCCNC(=O)C1=CN(CC2=CC=CC=C2Cl)N=C1	REAL000000128295	0	45	-1.0	-58.47	404.73	6.62	-51.85
COC1=CC(CC(=O)NCCOCCOCC(=O)[O-])=CC=C1C	REAL000000128296	0	45	-1.0	-57.97	379.93	5.28	-52.69
O=C([O-])COCCOCCNC(=O)CCN1C=NC2=CC=CC=C2C1=O	REAL000000128297	0	46	-1.0	-65.12	397.04	6.18	-58.94
CC1=CC=CC2=C1N=CN(CCC(=O)NCCOCCOCC(=O)[O-])C2=O	REAL000000128298	0	49	-1.0	-59.78	417.19	7.02	-52.76
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1NC(=O)C1=CSC=C1	REAL000000128299	0	46	-1.0	-59.67	403.30	5.93	-53.74
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CNS(=O)(=O)C1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128301	0	47	-1.0	-61.16	416.81	1.92	-59.24
COC1=CC=C2C=C(C(=O)NCCOCCOCC(=O)[O-])C(C)=NC2=C1	REAL000000128302	0	47	-1.0	-60.46	392.71	4.89	-55.57
COC1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1F	REAL000000128303	0	45	-1.0	-56.83	387.48	5.41	-51.42
O=C([O-])COCCOCCNC(=O)C=CC1=CC(Cl)=CC=C1Cl	REAL000000128304	0	39	-1.0	-56.11	371.24	6.68	-49.44
CC(C)C1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128305	0	50	-1.0	-55.04	411.98	7.95	-47.09
O=C([O-])COCCOCCNC(=O)C=CC1=CC(Cl)=CC(Cl)=C1	REAL000000128306	0	39	-1.0	-54.47	373.73	6.76	-47.71
COC1=CC=CC(CCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128307	0	45	-1.0	-56.18	381.26	5.33	-50.86
CC1=CC=CC(CCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128308	0	44	-1.0	-55.30	373.16	6.69	-48.61
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=CC=C1	REAL000000128309	0	45	-1.0	-58.81	381.68	6.11	-52.70
COC1=CC=C(SCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128310	0	46	-1.0	-56.71	400.02	5.79	-50.91
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O=C([O-])COCCOCCNC(=O)CC1=CC(Cl)=C2OCCOC2=C1	REAL000000128313	0	44	-1.0	-60.01	390.83	4.92	-55.09
CC1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1Cl	REAL000000128314	0	44	-1.0	-56.00	387.22	7.13	-48.87
O=C([O-])COCCOCCNC(=O)CCC1=CC=CC(Cl)=C1	REAL000000128315	0	41	-1.0	-54.34	368.49	6.53	-47.80
CCN1C(=O)N(CC(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL000000128316	0	48	-1.0	-69.43	411.75	6.93	-62.50
CC1=NC(COC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)=NO1	REAL000000128317	0	47	-1.0	-61.86	408.48	3.36	-58.49
O=C([O-])COCCOCCNC(=O)C1=CNN=C1C1=CC=CC=C1	REAL000000128318	0	42	-1.0	-60.95	361.56	4.56	-56.38
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1C(=O)C1=CC=C(F)C=C1	REAL000000128319	0	47	-1.0	-62.59	409.49	7.96	-54.63
CC1=NC(COC2=CC=CC=C2C(=O)NCCOCCOCC(=O)[O-])=NO1	REAL000000128320	0	47	-1.0	-68.23	406.40	4.60	-63.64
CCCOC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128321	0	49	-1.0	-56.76	413.04	6.79	-49.97
O=C([O-])COCCOCCNC(=O)C=CC1=CC(Br)=CS1	REAL000000128322	0	36	-1.0	-55.00	351.97	5.44	-49.56
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C(S(=O)(=O)N(C)C)O1	REAL000000128323	0	46	-1.0	-60.72	405.40	1.39	-59.34
CN1N=NC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C21	REAL000000128324	0	40	-1.0	-62.35	349.65	3.01	-59.34
CC(=CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000128325	0	42	-1.0	-54.54	360.30	6.54	-48.01
CC1=NN(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1Br	REAL000000128326	0	38	-1.0	-52.86	354.06	3.37	-49.49
O=C([O-])COCCOCCNC(=O)C1CCCC2=CC=CC=C21	REAL000000128327	0	45	-1.0	-57.53	367.49	7.02	-50.51
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=CC=C1N1C=NN=N1	REAL000000128328	0	40	-1.0	-63.97	368.39	5.86	-58.11
CC1=CC(OC(C)C(=O)NCCOCCOCC(=O)[O-])=CC=C1Cl	REAL000000128329	0	45	-1.0	-58.10	391.35	6.87	-51.23
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1CC1=CC=CC=C1	REAL000000128330	0	48	-1.0	-57.82	404.05	6.50	-51.33
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128331	0	54	-1.0	-58.74	437.01	8.36	-50.39
CC(OC1=CC=C2CCCC2=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128332	0	49	-1.0	-60.01	402.28	7.63	-52.38
CC1=CC=C(Cl)C(OC(C)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128333	0	45	-1.0	-60.77	394.16	6.92	-53.84
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1	REAL000000128334	0	44	-1.0	-54.66	392.14	5.15	-49.51
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128335	0	42	-1.0	-56.97	388.62	6.69	-50.28
O=C([O-])COCCOCCNC(=O)CCOC1=CC=C(Cl)C(Cl)=C1	REAL000000128336	0	42	-1.0	-53.95	392.13	5.84	-48.11
O=C([O-])COCCOCCNC(=O)COC1=CC=C(F)C(Cl)=C1	REAL000000128337	0	39	-1.0	-59.54	361.86	5.69	-53.85
O=C([O-])COCCOCCNC(=O)CCOC1=CC=C(F)C(Cl)=C1	REAL000000128338	0	42	-1.0	-54.32	382.81	5.43	-48.89
O=C([O-])COCCOCCNC(=O)CCOC1=CC=C(F)C=C1Cl	REAL000000128339	0	42	-1.0	-54.27	382.66	5.49	-48.79
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128340	0	52	-1.0	-60.26	430.85	9.14	-51.11
CCNS(=O)(=O)C1=CC=C(F)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128341	0	46	-1.0	-60.22	407.90	1.66	-58.56
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=CC=C2F)C2=C1CCC2	REAL000000128342	0	49	-1.0	-64.41	421.48	7.71	-56.69
CC1=CC=C(N2N=C(C(=O)NCCOCCOCC(=O)[O-])C3=C2CCC3)C=C1	REAL000000128343	0	52	-1.0	-61.58	433.97	8.14	-53.44
CC1=NSC2=NC=C(C(=O)NCCOCCOCC(=O)[O-])C=C12	REAL000000128344	0	39	-1.0	-55.91	352.94	3.39	-52.52
CCCCC(NC(N)=O)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128345	0	46	-1.0	-67.67	378.98	1.31	-66.36
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CC1=CC=C(N2[N-]C(C(=O)NCCOCCOCC(=O)[O-])=CC2=O)C=C1	REAL000000128347	0	45	-2.0	-106.44	393.96	4.88	-101.56
CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128348	0	51	-1.0	-58.50	417.21	6.02	-52.48
CC(C)C1=NC(C(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000128349	0	40	-1.0	-56.34	356.06	3.59	-52.75
CC(C)(C)C1=NC(CC(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000128350	0	46	-1.0	-57.58	397.10	4.73	-52.85
O=C([O-])COCCOCCNC(=O)C1=CN=C(CC2=CC=C(F)C=C2)S1	REAL000000128351	0	44	-1.0	-58.30	402.64	6.24	-52.06
O=C([O-])COCCOCCNC(=O)C1=CSC(CC2=CC=C(F)C=C2)=N1	REAL000000128352	0	44	-1.0	-58.08	402.73	6.09	-51.99
CC1=NC(C2=CSC=C2)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128353	0	44	-1.0	-57.75	384.52	5.97	-51.79
CC1=NC(C2=CC=CO2)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128354	0	44	-1.0	-57.31	378.59	5.18	-52.13
O=C([O-])COCCOCCNC(=O)C1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL000000128355	0	44	-1.0	-57.36	399.03	4.02	-53.34
CC1CCN(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=N2)CC1	REAL000000128356	0	52	-1.0	-56.01	417.12	5.85	-50.15
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O=C([O-])COCCOCCNC(=O)C1=CC=C(N2CCCC2)N=C1	REAL000000128358	0	46	-1.0	-55.72	379.48	4.47	-51.24
CC1=C(CC(=O)NCCOCCOCC(=O)[O-])N=C(C2=CSC=C2)O1	REAL000000128359	0	44	-1.0	-64.56	396.92	3.21	-61.36
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL000000128360	0	48	-1.0	-59.02	412.50	9.18	-49.84
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CN1CCN(C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C2)CC1	REAL000000128362	0	55	-1.0	-56.01	439.58	3.74	-52.27
O=C([O-])COCCOCCNC(=O)C1=CN2C=CN=C2C=C1	REAL000000128363	0	38	-1.0	-57.54	332.05	5.10	-52.45
CCN(C)C(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000128364	1	49	-1.0	-54.88	394.24	4.74	-50.15
O=C([O-])COCCOCCNC(=O)CC1=CSC(C2=NNC=N2)=N1	REAL000000128365	0	40	-1.0	-68.11	370.82	3.29	-64.83
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(CC(C)C)=N1	REAL000000128366	0	46	-1.0	-55.36	391.61	5.04	-50.33
O=C([O-])COCCOCCNC(=O)C=CC1=C2C=CC=CC2=CC=C1	REAL000000128367	0	45	-1.0	-58.61	383.57	7.88	-50.73
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=CC=C2NC1=O	REAL000000128368	0	41	-1.0	-61.86	354.84	3.89	-57.97
CC(C)(C)C1=CC=C(SCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128369	0	51	-1.0	-56.85	425.03	8.03	-48.82
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O=C([O-])COCCOCCNC(=O)CCOCC1CCCO1	REAL000000128371	0	46	-1.0	-56.57	382.95	2.74	-53.83
CCN1CCN(CC(=O)NCCOCCOCC(=O)[O-])C(=O)C1=O	REAL000000128372	0	46	-1.0	-67.86	390.69	3.58	-64.28
COC1=CC=CC(COCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128373	0	46	-1.0	-62.55	394.34	4.92	-57.63
COC1=CC=CC(COC(C)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128374	0	49	-1.0	-61.93	413.32	5.67	-56.26
CCOC1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128375	0	48	-1.0	-55.90	403.11	6.26	-49.64
O=C([O-])COCCOCCNC(=O)C1=C(C2CC2)N(C2=CC=CC=C2)N=C1	REAL000000128376	0	49	-1.0	-58.92	410.92	7.37	-51.55
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O=C([O-])COCCOCCNC(=O)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1	REAL000000128378	0	44	-1.0	-58.74	394.90	6.36	-52.38
O=C([O-])COCCOCCNC(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL000000128379	0	41	-1.0	-57.61	386.14	2.68	-54.93
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128380	0	42	-2.0	-103.94	379.95	1.69	-102.24
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128381	0	42	-1.0	-61.68	387.92	6.72	-54.97
CC1(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)NC(=O)NC1=O	REAL000000128382	0	47	-1.0	-59.97	401.72	1.61	-58.36
CCCC1=CC=C(N2CC(C(=O)NCCOCCOCC(=O)[O-])CC2=O)C=C1	REAL000000128383	0	55	-1.0	-68.72	449.38	7.74	-60.97
CC(C)C1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=CC=C1	REAL000000128384	0	51	-1.0	-57.45	412.67	7.23	-50.22
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=CC=C1	REAL000000128385	0	48	-1.0	-58.71	403.66	6.82	-51.89
O=C([O-])COCCOCCNC(=O)C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1	REAL000000128386	0	47	-1.0	-66.80	411.88	7.00	-59.81
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O=C([O-])COCCOCCNC(=O)CCC(=O)C1=C2C=CC=CC2=CC=C1	REAL000000128388	0	49	-1.0	-58.52	413.32	8.10	-50.42
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=C(C)C=C1	REAL000000128389	0	51	-1.0	-58.45	424.81	7.49	-50.96
CC1=CC=CC=C1C(CC(=O)NCCOCCOCC(=O)[O-])NC(N)=O	REAL000000128390	0	50	-1.0	-56.28	408.62	2.39	-53.90
CC1=CC=CC(C(CC(=O)NCCOCCOCC(=O)[O-])NC(N)=O)=C1	REAL000000128391	0	50	-1.0	-65.42	423.84	2.77	-62.65
CC(C)C1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=C(F)C=C1	REAL000000128392	0	51	-1.0	-55.53	419.67	7.30	-48.23
O=C([O-])COCCOCCNC(=O)CCC(=O)CCC(=O)C1=CC=CS1	REAL000000128393	0	48	-1.0	-58.05	427.87	6.45	-51.61
COC1=CC=C(COCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128394	0	46	-1.0	-61.39	394.33	4.92	-56.47
CC1=NN(CCC(=O)NCCOCCOCC(=O)[O-])C(C)=C1	REAL000000128395	0	44	-1.0	-58.80	375.29	4.31	-54.50
O=C([O-])COCCOCCNC(=O)C1=CC=C(CN2C=CC=N2)C=C1	REAL000000128396	0	45	-1.0	-62.57	389.50	6.19	-56.38
O=C([O-])COCCOCCNC(=O)CC1=C2N=CC=CC2=CC=C1	REAL000000128397	0	43	-1.0	-62.87	370.36	5.73	-57.14
O=C([O-])COCCOCCNC(=O)CCC1=NC=C(C2=CC=CC=C2)O1	REAL000000128398	0	47	-1.0	-57.95	406.94	4.50	-53.45
O=C([O-])COCCOCCNC(=O)CCC1=NC=C(C2=CC=C(Cl)C=C2)O1	REAL000000128399	0	47	-1.0	-56.91	423.66	5.01	-51.90
CC1=C(CC(=O)NCCOCCOCC(=O)[O-])C(=O)N2N=CC=C2N1	REAL000000128400	0	44	-1.0	-70.68	378.55	3.45	-67.24
CC1OC2=C(C=CC=C2C(=O)NCCOCCOCC(=O)[O-])NC1=O	REAL000000128401	0	44	-1.0	-61.54	374.67	3.70	-57.83
CC(C)OC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128402	0	45	-1.0	-60.94	372.85	6.66	-54.28
CC1=NC2=C(C(=O)NN2C)C(C)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000128403	0	50	-1.0	-66.47	416.98	3.55	-62.92
O=C([O-])COCCOCCNC(=O)CC1=COC(C2=CC=C(Cl)C=C2)=N1	REAL000000128404	0	44	-1.0	-60.88	402.88	4.35	-56.53
CNC(=O)C1(C(=O)NCCOCCOCC(=O)[O-])CCC1	REAL000000128405	0	42	-1.0	-53.11	354.34	1.56	-51.56
O=C([O-])COCCOCCNC(=O)C1=C(OC(F)F)C=CS1	REAL000000128406	0	36	-1.0	-59.91	335.76	4.12	-55.80
CC(=O)C1=CSC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128407	0	37	-1.0	-63.86	341.99	4.05	-59.81
COC1=CC=CC=C1CC(C)=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000128408	0	49	-1.0	-57.41	407.88	6.73	-50.68
O=C([O-])COCCOCCNC(=O)C1=CNN=C1C1=CC=C(Cl)C=C1	REAL000000128409	0	42	-1.0	-59.25	378.37	5.07	-54.18
O=C([O-])COCCOCCNC(=O)C1CC(=O)NC2=CC(F)=CC=C21	REAL000000128410	0	43	-1.0	-66.50	372.43	3.63	-62.87
O=C([O-])COCCOCCNC(=O)C1=NC(N2CCCC2)=NC=C1Cl	REAL000000128411	0	45	-1.0	-55.39	390.07	5.01	-50.38
O=C([O-])COCCOCCNC(=O)CC1=CSC2=CC=CC=C12	REAL000000128412	0	41	-1.0	-57.99	366.70	6.55	-51.44
O=C([O-])COCCOCCNC(=O)CCC(=O)C1=CC=C(F)C=C1F	REAL000000128413	0	43	-1.0	-57.14	382.92	6.00	-51.14
O=C([O-])COCCOCCNC(=O)CC1=CC=CC=C1OC(F)F	REAL000000128414	0	42	-1.0	-59.56	368.42	4.85	-54.71
CC1=CC(OC(C)C(=O)NCCOCCOCC(=O)[O-])=CC=C1C(C)C	REAL000000128415	0	54	-1.0	-59.28	433.54	8.24	-51.04
O=C([O-])COCCOCCNC(=O)CN1CCCS1(=O)=O	REAL000000128416	0	40	-1.0	-64.24	352.95	0.05	-64.19
CN1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL000000128417	0	42	-1.0	-60.07	348.62	2.81	-57.25
O=C([O-])COCCOCCNC(=O)CCC1=CC=C(Cl)S1	REAL000000128418	0	38	-1.0	-54.81	359.02	5.74	-49.07
O=C([O-])COCCOCCNC(=O)CN1C=C(Br)C=N1	REAL000000128419	0	35	-1.0	-60.06	332.26	3.27	-56.79
CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=NN1C1=CC(C)=CC=C1	REAL000000128420	0	47	-1.0	-57.64	401.02	5.41	-52.23
CC1=CNC(=O)N1C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128421	0	46	-1.0	-63.49	398.24	5.41	-58.08
CS(=O)(=O)C1=NC(C(=O)NCCOCCOCC(=O)[O-])=C2C=CC=CN21	REAL000000128422	0	44	-1.0	-70.98	393.67	2.32	-68.65
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(F)C=C1[N+](=O)[O-]	REAL000000128423	0	41	-1.0	-62.63	372.38	6.39	-56.24
COC1=CC=CC=C1C1(C(=O)NCCOCCOCC(=O)[O-])CCC1	REAL000000128424	0	49	-1.0	-56.85	400.35	6.20	-50.65
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C(C)(C)C)=N1	REAL000000128425	0	46	-1.0	-55.31	391.97	4.87	-50.44
COC1=CC(Br)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128426	0	39	-1.0	-57.96	354.33	5.74	-52.21
CC1CCC(N2CC(C(=O)NCCOCCOCC(=O)[O-])CC2=O)CC1	REAL000000128427	0	55	-1.0	-56.20	432.63	6.20	-50.00
CCS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128428	0	44	-1.0	-60.37	400.40	3.50	-56.87
CSC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000128429	0	36	-1.0	-54.68	333.20	3.74	-50.95
CC(C)(CCCC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128430	0	53	-1.0	-55.88	425.91	8.55	-47.33
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1F	REAL000000128431	0	41	-1.0	-57.04	351.32	5.81	-51.23
COCC1=NC(C(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000128432	0	38	-1.0	-57.15	348.58	1.31	-55.85
NC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])N=C1	REAL000000128433	0	38	-1.0	-59.23	337.64	-0.40	-59.62
CC1=CC([N+](=O)[O-])=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128434	0	40	-1.0	-54.57	349.97	5.90	-48.67
O=C([O-])COCCOCCNC(=O)C1=C(C2=CC=C(F)C=C2)C=CS1	REAL000000128435	0	42	-1.0	-56.18	378.33	7.21	-48.97
CC1=NN(C(F)F)C(C)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000128436	0	44	-1.0	-61.62	381.29	4.08	-57.54
O=C([O-])COCCOCCNC(=O)C1=CN=NN1C1=CC=CC=C1Cl	REAL000000128437	0	41	-1.0	-60.81	372.62	5.23	-55.58
COC1=CC(OCC(=O)NCCOCCOCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL000000128438	0	45	-1.0	-63.27	394.76	5.90	-57.37
CC(=CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(Cl)=C1	REAL000000128439	0	42	-1.0	-53.86	377.08	7.07	-46.80
O=C([O-])COCCOCCNC(=O)CCCOC1=CC=C(F)C=C1F	REAL000000128440	0	45	-1.0	-60.82	394.36	5.77	-55.05
O=C([O-])COCCOCCNC(=O)CCCOC1=CC=CC(Cl)=C1Cl	REAL000000128441	0	45	-1.0	-61.33	412.93	6.66	-54.67
CC(C)C(C(=O)NCCOCCOCC(=O)[O-])N1CCCC1=O	REAL000000128442	0	48	-1.0	-62.25	383.94	6.52	-55.73
CS(=O)(=O)C1=CC=C(OCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128443	0	48	-1.0	-63.74	420.89	2.41	-61.34
NS(=O)(=O)C1=CN(CCC(=O)NCCOCCOCC(=O)[O-])N=C1	REAL000000128444	0	43	-1.0	-62.43	389.17	-1.93	-64.36
NS(=O)(=O)CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128445	0	43	-1.0	-66.15	383.99	0.19	-65.96
NS(=O)(=O)CC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128446	0	43	-1.0	-70.13	383.84	0.20	-69.93
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CC=CC=C2)N1	REAL000000128447	0	43	-1.0	-57.19	370.82	5.90	-51.30
CC(OC1=CC=C(F)C(F)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128448	0	42	-1.0	-57.80	369.42	5.84	-51.96
O=C([O-])COCCOCCNC(=O)C1CCC(C(F)(F)F)NC1=O	REAL000000128449	0	42	-1.0	-59.30	363.90	2.28	-57.02
CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=NN1C1=CC=C(F)C=C1	REAL000000128450	0	44	-1.0	-56.00	386.01	4.81	-51.19
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128451	0	50	-1.0	-58.38	413.13	9.03	-49.35
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=C(F)C=C1	REAL000000128452	0	48	-1.0	-56.91	410.07	6.88	-50.03
O=C([O-])COCCOCCNC(=O)C1=CC=CC(N2C=CC=N2)=C1	REAL000000128453	0	42	-1.0	-65.76	364.11	5.74	-60.02
CC(C(=O)NCCOCCOCC(=O)[O-])C1=C(Cl)C=CC=C1Cl	REAL000000128454	0	41	-1.0	-55.80	367.77	6.44	-49.36
CCCNC(=O)NC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128455	0	53	-1.0	-64.69	444.57	4.36	-60.34
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CC1(C(=O)NCCOCCOCC(=O)[O-])CCCC2=CC=CC=C21	REAL000000128457	0	48	-1.0	-56.13	377.39	7.34	-48.79
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128458	0	45	-1.0	-55.66	403.38	7.94	-47.72
CC1=C(C2=CC=CC(Cl)=C2)SC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128459	0	45	-1.0	-55.95	413.71	8.40	-47.55
CCC1=CC=C(C(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128460	0	47	-1.0	-57.00	389.17	7.21	-49.79
CC(C)(C)C1=CC=C(CCCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128461	0	59	-1.0	-55.67	470.95	9.92	-45.75
CC(=O)N(CCC(=O)NCCOCCOCC(=O)[O-])CC1=CC=CC=C1	REAL000000128462	0	51	-1.0	-57.89	426.55	6.54	-51.35
O=C([O-])COCCOCCNC(=O)CN1C2=CC=CC=C2CCCC1=O	REAL000000128463	0	49	-1.0	-59.53	400.49	6.56	-52.97
CS(=O)(=O)CC1=C(C(=O)NCCOCCOCC(=O)[O-])OC2=CC=CC=C21	REAL000000128464	0	47	-1.0	-64.86	417.20	3.32	-61.54
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(Br)=C1	REAL000000128465	0	44	-1.0	-55.04	382.68	6.79	-48.25
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C2CCCCC2)=N1	REAL000000128466	0	51	-1.0	-60.14	411.96	6.11	-54.04
CC1(C)CCC(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL000000128467	0	51	-1.0	-55.98	400.86	7.90	-48.07
COC1=CC=C(CN2CC(C(=O)NCCOCCOCC(=O)[O-])CC2=O)C=C1	REAL000000128468	0	53	-1.0	-58.66	444.17	5.45	-53.21
CCN(CC)C(=O)CCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000128469	0	50	-1.0	-65.82	411.00	5.24	-60.59
CC(C)(C(=O)NCCOCCOCC(=O)[O-])N1C=C([N+](=O)[O-])C=N1	REAL000000128470	0	43	-1.0	-62.37	375.20	4.62	-57.74
CC1=NN(CCC(=O)NCCOCCOCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL000000128471	0	46	-1.0	-55.69	405.20	5.02	-50.67
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1	REAL000000128472	0	48	-1.0	-64.01	412.82	7.51	-56.50
O=C([O-])COCCOCCNC(=O)C1CCCCC1C(=O)N1CCCC1	REAL000000128473	0	55	-1.0	-66.31	432.44	5.94	-60.37
O=C([O-])COCCOCCNC(=O)C1CCOC2=CC=CC=C21	REAL000000128474	0	43	-1.0	-57.94	358.72	5.12	-52.82
CCC(CC)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL000000128475	0	50	-1.0	-56.37	404.34	7.46	-48.91
O=C([O-])COCCOCCNC(=O)C1=CC([N+](=O)[O-])=CC2=C1OCCO2	REAL000000128476	0	43	-1.0	-57.94	376.10	5.50	-52.44
CC1=CC=CC(C2(C(=O)NCCOCCOCC(=O)[O-])CCCC2)=C1	REAL000000128477	0	51	-1.0	-55.56	406.28	8.51	-47.05
CC(OC1CCCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128478	0	48	-1.0	-57.47	386.44	6.00	-51.47
O=C([O-])COCCOCCNC(=O)CCC1=CC=CC=C1OC(F)(F)F	REAL000000128479	0	45	-1.0	-55.02	396.57	5.87	-49.15
COC1=CC=C(CN2C=C(C(=O)NCCOCCOCC(=O)[O-])C=N2)C=C1	REAL000000128480	0	49	-1.0	-59.83	421.69	5.44	-54.39
C=CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128481	0	50	-1.0	-63.17	433.15	6.72	-56.46
COCCC1=CC=C(OCCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128482	0	55	-1.0	-59.31	458.28	6.13	-53.18
CCC(OC1=CC=CC=C1Cl)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128483	0	45	-1.0	-61.72	387.02	6.88	-54.83
COC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1	REAL000000128484	0	42	-1.0	-59.84	374.08	4.96	-54.88
COCCOC1=CC=C(Cl)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128485	0	46	-1.0	-61.67	405.26	5.80	-55.87
CCCOC1=CC=C(Cl)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128486	0	45	-1.0	-58.17	393.13	7.36	-50.81
COC1=CC=C(C2=NNC(C(=O)NCCOCCOCC(=O)[O-])=C2)C=C1OC	REAL000000128487	0	50	-1.0	-59.23	425.90	3.82	-55.41
CCC1=CC=C(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])O2)C=C1	REAL000000128488	0	48	-1.0	-56.19	412.31	7.72	-48.48
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])O2)C=C1	REAL000000128489	0	54	-1.0	-55.97	445.53	8.62	-47.35
CNS(=O)(=O)C1=CSC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128490	0	40	-1.0	-61.27	375.80	-0.32	-61.59
CC(CSC1=CC=C(F)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128491	0	45	-1.0	-54.57	394.36	7.16	-47.41
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=C(C2=CN(C)N=C2)O1	REAL000000128495	0	44	-1.0	-59.66	387.55	1.52	-58.13
CN1C=NC(S(=O)(=O)NCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128496	0	43	-1.0	-67.35	388.47	0.03	-67.32
O=C([O-])COCCOCCNC(=O)C1=CN2C(=NN=C2C(F)F)C=C1	REAL000000128497	0	40	-1.0	-59.59	361.70	5.81	-53.78
O=C([O-])COCCOCCNC(=O)C1CC12CCCC1=CC=CC=C12	REAL000000128498	0	49	-1.0	-55.38	392.28	8.38	-47.00
O=C([O-])COCCOCCNC(=O)C1CC12CCC1=CC=CC=C12	REAL000000128499	0	46	-1.0	-55.21	384.41	7.55	-47.66
CC1C(=O)NC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C2N1C	REAL000000128500	0	48	-1.0	-58.81	395.54	2.27	-56.54
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000128501	0	45	-1.0	-56.39	402.54	7.90	-48.49
O=C([O-])COCCOCCNC(=O)CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL000000128502	0	46	-1.0	-60.05	395.49	4.72	-55.34
O=C([O-])COCCOCCNC(=O)CC1=NN(C2=CC=CC=C2)C=C1	REAL000000128503	0	45	-1.0	-64.16	388.40	6.39	-57.77
O=C([O-])COCCOCCNC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1	REAL000000128504	0	45	-1.0	-55.58	411.30	5.54	-50.04
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CC1=C(C2=CC=CC=C2)C=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)N1	REAL000000128507	0	48	-1.0	-63.39	407.28	5.87	-57.52
CC(=O)N1CCC(C)(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000128508	0	45	-1.0	-60.30	369.22	3.33	-56.97
CCOCCS(=O)(=O)NCC(=O)NCCOCCOCC(=O)[O-]	REAL000000128509	0	46	-1.0	-64.29	403.82	-1.33	-65.62
CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128510	0	56	-1.0	-54.92	434.38	4.65	-50.28
CC(=O)NCCNC(=O)CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000128511	0	48	-1.0	-62.06	412.23	-0.26	-62.33
COC1=CC=C(Br)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128512	0	39	-1.0	-58.12	354.34	5.74	-52.37
O=C([O-])COCCOCCNC(=O)CC1CCC2=CC=CC=C21	REAL000000128513	0	45	-1.0	-56.30	368.02	7.00	-49.30
CCCCCCC(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128514	0	49	-1.0	-54.93	394.01	6.69	-48.24
CC1=CC=C(Br)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128515	0	38	-1.0	-53.89	343.10	5.85	-48.04
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CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL000000128517	0	46	-1.0	-58.57	389.61	6.83	-51.74
O=C([O-])COCCOCCNC(=O)CCC1=CC=CC([N+](=O)[O-])=C1	REAL000000128518	0	43	-1.0	-57.35	379.97	6.69	-50.66
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CC(OC1=CC=C(F)C=C1Cl)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128520	0	42	-1.0	-60.08	378.34	6.36	-53.72
CC1(C)CCC(C)(C)C2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C21	REAL000000128521	0	57	-1.0	-56.75	435.35	8.73	-48.01
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CC(C)C1=NN(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128525	0	44	-1.0	-55.67	368.23	4.17	-51.50
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CC1=NOC(C2=CC=CC=C2C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000128529	0	43	-1.0	-60.90	376.21	4.64	-56.26
O=C([O-])COCCOCCNC(=O)CCSC1=CC=C2OCCOC2=C1	REAL000000128530	0	48	-1.0	-57.94	415.04	5.64	-52.30
O=C([O-])COCCOCCNC(=O)C1=CC(=O)NC2=CC=C(F)C=C21	REAL000000128531	0	41	-1.0	-58.70	359.01	3.68	-55.01
CCC(C)OC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128532	0	48	-1.0	-56.60	395.67	6.24	-50.36
O=C([O-])COCCOCCNC(=O)C1=CN(C2CCCCC2)N=C1	REAL000000128533	0	48	-1.0	-56.70	392.56	5.54	-51.16
CC1=CC=CC=C1N1C=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000128534	0	45	-1.0	-58.35	382.34	6.63	-51.73
CN(C)S(=O)(=O)C1=C(C(=O)NCCOCCOCC(=O)[O-])SC=C1	REAL000000128535	0	43	-1.0	-69.08	388.13	2.70	-66.38
O=C([O-])COCCOCCNC(=O)C(O)C1CCOCC1	REAL000000128536	0	43	-1.0	-55.42	349.92	1.15	-54.27
O=C([O-])COCCOCCNC(=O)C1(SC2=CC=CC=C2)CCCC1	REAL000000128537	0	49	-1.0	-54.02	401.72	7.84	-46.17
CC1=NC(C(=O)NCCOCCOCC(=O)[O-])=NN1C1=CC=CC=C1	REAL000000128538	0	44	-1.0	-63.68	380.93	6.06	-57.62
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=C(F)C=C2)C=CC1=O	REAL000000128539	0	44	-1.0	-69.15	388.86	6.98	-62.17
CC(C)(CC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128540	0	47	-1.0	-54.99	381.35	6.86	-48.13
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CC1=CC(F)=C(C(=O)NCCOCCOCC(=O)[O-])C=C1F	REAL000000128544	0	38	-1.0	-57.11	336.96	5.34	-51.77
O=C([O-])COCCOCCNC(=O)C1=CC=C2[N-]C(=S)OC2=C1	REAL000000128545	0	37	-2.0	-101.23	346.17	1.86	-99.37
O=C([O-])COCCOCCNC(=O)C1=NC=NC=C1Cl	REAL000000128546	0	33	-1.0	-54.43	310.72	3.14	-51.29
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(F)C=C1F	REAL000000128547	0	38	-1.0	-57.41	336.95	5.34	-52.07
O=C([O-])COCCOCCNC(=O)C1=CN2N=NN=C2C=C1	REAL000000128548	0	36	-1.0	-59.73	322.17	2.66	-57.07
CC1=C(C)N(CCC(=O)NCCOCCOCC(=O)[O-])C(=O)S1	REAL000000128549	0	44	-1.0	-63.26	382.48	4.42	-58.84
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CCCCC(CC)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000128551	0	49	-1.0	-54.55	387.82	6.45	-48.10
CN1C(=O)NC=C(C(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000128552	0	38	-1.0	-58.89	332.29	1.23	-57.65
COC1=C(F)C=CC(F)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128553	0	39	-1.0	-59.16	354.30	4.12	-55.04
COC1=CSC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128554	0	36	-1.0	-56.59	328.37	2.85	-53.74
CCC1=NC(COC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)=NO1	REAL000000128555	0	50	-1.0	-61.56	429.96	4.13	-57.43
CCCCCCC(CC)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128556	0	52	-1.0	-54.43	411.57	7.42	-47.01
CCCCCC(O)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000128557	0	47	-1.0	-58.21	387.01	3.74	-54.47
COC1=CC=C(C2=NC(C(=O)NCCOCCOCC(=O)[O-])=C(C)O2)C=C1	REAL000000128558	0	48	-1.0	-56.54	413.32	3.13	-53.40
O=C([O-])COCCOCCNC(=O)CCN1C=CNC(=O)C1=O	REAL000000128559	0	41	-1.0	-72.72	361.24	2.26	-70.47
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CC(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1F	REAL000000128560	0	44	-1.0	-56.27	370.23	6.49	-49.78
CCC(C(=O)NCCOCCOCC(=O)[O-])N1CCCC1=O	REAL000000128561	0	45	-1.0	-69.08	369.49	5.25	-63.82
CCN1N=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1Cl	REAL000000128562	0	41	-1.0	-56.32	372.00	4.05	-52.27
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1SC1=CC=CC=C1	REAL000000128563	0	46	-1.0	-60.09	398.90	8.53	-51.56
O=C([O-])COCCOCCNC(=O)C1CC12CCOC1=CC=CC=C12	REAL000000128564	0	47	-1.0	-55.86	383.79	6.50	-49.36
CC1=NC(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)=NN1	REAL000000128565	0	44	-1.0	-61.05	382.76	5.27	-55.79
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1N1C=NC=N1	REAL000000128566	0	44	-1.0	-58.98	379.96	8.09	-50.89
CC1=CC(N2C=NC=N2)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128567	0	44	-1.0	-59.98	374.93	7.75	-52.23
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=NN1C1=CC=CC([N+](=O)[O-])=C1	REAL000000128569	0	46	-1.0	-61.53	407.82	5.41	-56.13
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COC1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1Cl	REAL000000128572	0	45	-1.0	-55.93	397.29	5.89	-50.04
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=C(F)C=C1F	REAL000000128574	0	45	-1.0	-58.10	396.33	6.36	-51.74
CC1=NN=NN1C(=CC1=CC=C(F)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128575	0	47	-1.0	-52.56	410.20	5.73	-46.83
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CC1=NOC(CCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000128577	0	39	-1.0	-56.09	343.33	1.63	-54.47
CC1=NOC(CSC2=CC=CC=C2C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000128578	0	47	-1.0	-62.91	414.40	5.03	-57.88
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL000000128579	0	45	-1.0	-56.80	398.39	6.62	-50.18
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CC(C)(C)C(=O)NCCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000128581	0	50	-1.0	-58.81	411.38	3.44	-55.38
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O=C([O-])COCCOCCNC(=O)CCCOC1=CC=C(F)C=C1	REAL000000128583	0	45	-1.0	-58.30	388.13	5.70	-52.60
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CC(C)(C)C(=O)NCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000128590	0	47	-1.0	-63.70	389.88	2.63	-61.08
CC(C)C1=NOC(CCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000128591	0	45	-1.0	-55.91	385.63	2.69	-53.22
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=CC=C1F	REAL000000128593	0	45	-1.0	-62.23	390.01	6.30	-55.94
CC1=NOC2=NC=C(C(=O)NCCOCCOCC(=O)[O-])C=C12	REAL000000128594	0	39	-1.0	-56.55	344.16	1.98	-54.57
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COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1OC(F)F	REAL000000128596	0	43	-1.0	-62.90	374.11	4.06	-58.84
O=C([O-])COCCOCCNC(=O)CC(CC1=CC=CC=C1)CC1=CC=CC=C1	REAL000000128597	0	57	-1.0	-56.43	463.26	10.76	-45.67
COCCCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128598	0	49	-1.0	-57.66	412.16	4.67	-52.99
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)OC2=CC=CC=C21	REAL000000128600	0	43	-1.0	-62.05	365.54	6.56	-55.49
CCCN1N=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000128601	0	47	-1.0	-56.04	396.47	4.92	-51.12
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O=C([O-])COCCOCCNC(=O)C1=CNN=C1C1=CC=NC=C1	REAL000000128605	0	41	-1.0	-61.05	356.63	2.80	-58.26
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=CC=C2OC1	REAL000000128606	0	41	-1.0	-56.97	351.60	5.06	-51.90
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CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128608	0	51	-1.0	-55.43	426.85	4.08	-51.35
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O=C([O-])COCCOCCNC(=O)C1CC2COCC(C1)C2=O	REAL000000128610	0	45	-1.0	-56.44	358.36	4.24	-52.21
CN1C(=O)CC(C(=O)NCCOCCOCC(=O)[O-])C1C1=CC=CC(Cl)=C1	REAL000000128611	0	49	-1.0	-57.31	424.21	6.43	-50.88
CC(=CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1C	REAL000000128612	0	45	-1.0	-54.40	377.81	7.08	-47.32
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CC1=CC=C2C(=O)N(C(C)C(=O)NCCOCCOCC(=O)[O-])C(=O)C2=C1	REAL000000128617	0	48	-1.0	-64.17	410.50	6.28	-57.89
COC1=CC=C(OC)C(CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128618	0	46	-1.0	-59.45	388.15	3.89	-55.56
COC1=CC=C(SCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128619	0	43	-1.0	-57.96	378.35	4.99	-52.96
O=C([O-])COCCOCCNC(=O)CCC1=CC=C(F)C=C1	REAL000000128620	0	41	-1.0	-55.08	358.17	6.09	-48.99
CCOC1=CC=CC=C1CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000128621	0	48	-1.0	-56.66	401.92	6.32	-50.34
O=C([O-])COCCOCCNC(=O)C1CC1C1=CC=CC(F)=C1F	REAL000000128622	0	42	-1.0	-61.21	370.09	6.68	-54.53
CN1C(C(=O)NCCOCCOCC(=O)[O-])=CC=C1C1=CC=CC=C1	REAL000000128623	0	46	-1.0	-58.48	380.85	7.35	-51.13
CNC(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128624	0	42	-1.0	-67.52	362.16	2.83	-64.69
CC(C)(C)C(=O)N1CCOC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000128625	0	52	-1.0	-63.24	408.69	3.82	-59.42
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(F)C=C1F	REAL000000128626	0	41	-1.0	-53.10	357.71	5.88	-47.22
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(F)C(F)=C1	REAL000000128627	0	41	-1.0	-55.36	358.98	5.91	-49.45
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(Cl)=C1	REAL000000128628	0	41	-1.0	-55.46	363.02	6.29	-49.17
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(F)=C1	REAL000000128629	0	41	-1.0	-56.06	352.70	5.84	-50.22
CC1=C(C(=O)NCCOCCOCC(=O)[O-])OC(C2=CC=CC=C2)=N1	REAL000000128630	0	44	-1.0	-56.02	383.85	3.72	-52.30
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128631	0	51	-1.0	-63.53	425.44	5.57	-57.96
O=C([O-])COCCOCCNC(=O)C1=CN(CC2=CC=CS2)N=N1	REAL000000128632	0	41	-1.0	-58.26	378.50	3.82	-54.44
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=CC(F)=C2O1	REAL000000128633	0	38	-1.0	-57.36	343.38	5.00	-52.35
CCCCCCC(C)(CC)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128634	0	55	-1.0	-55.19	424.93	7.60	-47.59
CCCCCCC(C)(CCC)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128635	0	58	-1.0	-55.08	446.43	8.37	-46.71
CCC(OC1CCCC(C)C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128636	0	54	-1.0	-55.87	422.98	7.37	-48.49
O=C([O-])COCCOCCNC(=O)C1=CNN=C1C1=CC=CC(OC(F)F)=C1	REAL000000128637	0	46	-1.0	-63.31	400.79	4.13	-59.17
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C2C=CC=CC2=C1	REAL000000128638	0	50	-1.0	-57.88	406.89	8.40	-49.48
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1	REAL000000128639	0	48	-1.0	-60.10	413.00	6.77	-53.34
O=C([O-])COCCOCCNC(=O)CN1C(=O)C2C3CCC(O3)C2C1=O	REAL000000128640	0	47	-1.0	-68.30	394.18	2.57	-65.73
CC(C(=O)NCCOCCOCC(=O)[O-])N1C(=O)C2C3CCC(O3)C2C1=O	REAL000000128641	0	50	-1.0	-60.47	393.69	3.58	-56.89
O=C([O-])COCCOCCNC(=O)CCN1C(=O)C2C3CCC(O3)C2C1=O	REAL000000128642	0	50	-1.0	-63.34	415.21	2.97	-60.37
O=C([O-])COCCOCCNC(=O)C1CCC(C2=CC=CC=C2)CC1	REAL000000128643	0	51	-1.0	-55.92	402.22	8.10	-47.81
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL000000128644	0	45	-1.0	-58.13	398.80	8.17	-49.95
O=C([O-])COCCOCCNC(=O)C1CCN(C2=CC=CC(Cl)=C2)C1=O	REAL000000128645	0	46	-1.0	-61.34	399.82	6.22	-55.11
CC1=CC=C(CN2C(=O)CCC2C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128646	0	52	-1.0	-61.57	437.07	7.37	-54.20
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128647	0	45	-1.0	-58.24	401.53	6.82	-51.43
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC2CCC2)C=C1	REAL000000128648	0	46	-1.0	-56.31	383.61	6.16	-50.15
O=C([O-])COCCOCCNC(=O)CN1CCCNC1=O	REAL000000128649	0	41	-1.0	-61.55	345.60	1.43	-60.11
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=CC=C2F)C=C1	REAL000000128650	0	42	-1.0	-63.60	371.61	5.87	-57.73
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1	REAL000000128651	0	42	-1.0	-58.84	373.52	5.78	-53.06
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=CC=C2)C=C1	REAL000000128652	0	42	-1.0	-59.70	367.11	5.71	-53.99
O=C([O-])COCCOCCNC(=O)C1=CC=C(S(=O)(=O)N2CCCC2)O1	REAL000000128653	0	47	-1.0	-57.31	414.32	1.73	-55.58
O=C([O-])COCCOCCNC(=O)CCCOCCC1=CC=CC=C1	REAL000000128654	0	51	-1.0	-58.03	428.77	6.86	-51.17
CN(C)S(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000128655	0	43	-1.0	-57.43	387.95	0.61	-56.82
O=C([O-])COCCOCCNC(=O)C(=O)NC1=CC=CC=C1	REAL000000128656	0	39	-1.0	-54.59	342.91	2.82	-51.77
O=C([O-])COCCOCCNC(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL000000128657	0	46	-1.0	-59.06	381.14	4.67	-54.38
O=C([O-])COCCOCCNC(=O)C1=C(N2C=NN=N2)C=CS1	REAL000000128658	0	37	-1.0	-66.33	344.50	4.16	-62.17
CC1=CC=C(C2=NOC(C(=O)NCCOCCOCC(=O)[O-])=C2)C=C1	REAL000000128659	0	44	-1.0	-54.95	385.80	6.20	-48.75
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=CC(F)=C2)=NO1	REAL000000128660	0	41	-1.0	-54.38	370.81	5.60	-48.78
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000128661	0	49	-1.0	-56.69	416.95	0.86	-55.83
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000128661	1	48	-2.0	-98.65	421.43	0.75	-97.91
NS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000128662	0	37	-1.0	-59.01	346.57	-2.45	-61.47
CC(C)(C)C1=NOC(CCCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000128663	0	51	-1.0	-61.60	426.55	4.02	-57.58
CC1=NOC(CCCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000128664	0	42	-1.0	-61.66	364.82	2.40	-59.25
CCC1=NOC(CCCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000128665	0	45	-1.0	-61.59	386.31	3.02	-58.57
COC1=CC=C(N2N=NC(C(=O)NCCOCCOCC(=O)[O-])=C2C)C=C1	REAL000000128666	0	48	-1.0	-57.44	409.09	4.05	-53.39
CN(C)C(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000128667	0	50	-1.0	-61.95	393.36	3.73	-58.21
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CCN(CC)C(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000128669	0	56	-1.0	-63.92	433.41	5.56	-58.36
O=C([O-])COCCOCCNC(=O)C1CCN(C(=O)NC2CC2)CC1	REAL000000128670	0	51	-1.0	-59.31	412.58	4.25	-55.06
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CC1=CC(NC(=O)C(=O)NCCOCCOCC(=O)[O-])=NO1	REAL000000128672	0	38	-1.0	-54.79	339.23	2.00	-52.79
CC(=O)C1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128673	0	43	-1.0	-59.37	373.15	5.71	-53.66
CC1=NC(C)=C(CC(=O)NCCOCCOCC(=O)[O-])C(=O)N1	REAL000000128674	0	43	-1.0	-63.18	369.17	2.48	-60.71
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CN1C=C(S(=O)(=O)NCC(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000128676	0	43	-1.0	-65.49	389.00	-1.36	-66.86
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)NC1=O	REAL000000128677	0	38	-1.0	-58.81	333.32	0.90	-57.91
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(S(N)(=O)=O)=C(C)O1	REAL000000128678	0	43	-1.0	-67.05	385.94	-0.89	-67.94
O=C([O-])COCCOCCNC(=O)CSC(F)(F)F	REAL000000128679	0	32	-1.0	-54.54	313.13	3.27	-51.27
CC1=CC=C(C2=NC(C(=O)NCCOCCOCC(=O)[O-])=CS2)O1	REAL000000128680	0	41	-1.0	-59.53	377.45	4.22	-55.31
CN1C=C(C2=NC(C(=O)NCCOCCOCC(=O)[O-])=CS2)C=N1	REAL000000128681	0	41	-1.0	-61.08	377.66	3.14	-57.94
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CC(C(=O)NCCOCCOCC(=O)[O-])N1CCOCC1	REAL000000128756	0	44	-1.0	-55.66	348.76	0.57	-55.09
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CC(C)(C)C1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000128786	0	53	-1.0	-55.05	427.95	8.36	-46.69
CC1=C(C(=O)NCCOCCOCC(=O)[O-])OC2=CC=C(Cl)C=C12	REAL000000128787	0	41	-1.0	-54.17	371.44	6.14	-48.02
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(F)=C1	REAL000000128788	0	39	-1.0	-60.40	339.67	3.95	-56.45
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CC(C)C(NC(=O)C1=CC=CS1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000128790	0	48	-1.0	-55.24	412.20	4.52	-50.72
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COC1=CC=C(N2C(C)=CC(C(=O)NCCOCCOCC(=O)[O-])=C2C)C=C1	REAL000000128792	0	53	-1.0	-58.42	441.82	7.80	-50.62
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COC1=CC=C(C2(C(=O)NCCOCCOCC(=O)[O-])CCC2)C=C1	REAL000000128893	0	49	-1.0	-59.47	403.68	6.14	-53.33
COC1=CC=CC(F)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128894	0	39	-1.0	-63.22	344.94	3.81	-59.42
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CC(C(=O)NCCOCCOCC(=O)[O-])N1CCC2=CC=CC=C2C1	REAL000000128909	0	50	-1.0	-57.19	398.54	5.08	-52.11
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CC(=O)C1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128967	0	40	-1.0	-61.79	346.10	5.07	-56.72
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CC1=NN2C(=C1C(=O)NCCOCCOCC(=O)[O-])N=C(C)C=C2C	REAL000000128982	0	46	-1.0	-64.92	396.94	5.17	-59.75
CC1=NN2C=CC=NC2=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000128983	0	40	-1.0	-65.85	353.88	3.97	-61.88
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COC1=CC=CC=C1C(C)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000128985	0	48	-1.0	-56.85	393.09	5.87	-50.99
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CCOC1=CC=CC=C1C(CC(=O)NCCOCCOCC(=O)[O-])NC(C)=O	REAL000000128988	0	55	-1.0	-57.01	449.64	4.62	-52.39
CCCN(CCC)C(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000128989	0	57	-1.0	-64.62	461.15	7.80	-56.82
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CC(C)C(C(=O)NCCOCCOCC(=O)[O-])N1N=NC(C2=CC=CC=C2)=N1	REAL000000129005	0	52	-1.0	-63.15	435.10	6.27	-56.88
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CCCCCCOC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129008	0	57	-1.0	-57.85	467.71	8.61	-49.24
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CC1=CC=CC(C2(C(=O)NCCOCCOCC(=O)[O-])CC2)=C1	REAL000000129010	0	45	-1.0	-57.68	377.90	6.94	-50.74
CCC1=NOC2=NC=C(C(=O)NCCOCCOCC(=O)[O-])C=C12	REAL000000129011	0	42	-1.0	-56.22	365.65	2.73	-53.49
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NC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(Cl)=N1	REAL000000129017	0	36	-1.0	-54.85	332.95	1.95	-52.90
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CC(CC1=CC=CC(F)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129020	0	44	-1.0	-54.30	373.54	6.57	-47.73
CC1CCCCC1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129021	0	47	-1.0	-54.65	367.18	5.97	-48.68
CCOC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000129022	0	45	-1.0	-59.40	384.55	6.32	-53.07
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CC(C)(C)C(=O)N1CCCC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000129024	0	54	-1.0	-60.76	416.73	5.06	-55.70
O=C([O-])COCCOCCNC(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL000000129025	0	43	-1.0	-65.42	371.41	6.40	-59.02
CC(CC1=CC=C(F)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129026	0	44	-1.0	-54.54	373.58	6.57	-47.97
COC1=CC=C(C)C=C1N1C=CC(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000129027	0	49	-1.0	-62.18	415.81	6.02	-56.15
CC1=CC=CC=C1N1N=C(C(=O)NCCOCCOCC(=O)[O-])C2=C1CCC2	REAL000000129028	0	52	-1.0	-61.06	433.99	8.47	-52.59
O=C([O-])COCCOCCNC(=O)C1=CC=CN(CC2=CC=CC=C2)C1=O	REAL000000129029	0	48	-1.0	-70.15	408.78	7.57	-62.57
CC(OC1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)NCCOCCOCC(=O)[O-]	REAL000000129030	0	44	-1.0	-68.11	398.65	7.44	-60.67
O=C([O-])COCCOCCNC(=O)C1=C2C=C([N+](=O)[O-])C=CC2=NN1	REAL000000129031	0	40	-1.0	-59.12	360.69	3.88	-55.24
O=C([O-])COCCOCCNC(=O)C1=NNC2=CC=C([N+](=O)[O-])C=C21	REAL000000129031	1	40	-1.0	-62.20	362.70	3.87	-58.33
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(C(=O)NC2CC2)C=C1	REAL000000129032	0	50	-1.0	-61.40	428.27	5.74	-55.66
O=C([O-])COCCOCCNC(=O)CN1C=C([N+](=O)[O-])C=N1	REAL000000129033	0	37	-1.0	-62.84	340.74	3.37	-59.47
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=CC(Cl)=C1	REAL000000129034	0	45	-1.0	-57.26	398.34	6.62	-50.64
CC(=O)NCC(=O)NCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129035	0	42	-1.0	-58.71	367.97	-1.58	-60.29
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129036	0	45	-2.0	-110.68	394.93	2.29	-108.39
NS(=O)(=O)C1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])S1	REAL000000129037	0	40	-1.0	-63.37	376.94	-0.65	-64.03
CC1=CC2=NC=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)N2C=C1	REAL000000129038	0	43	-1.0	-65.03	369.58	5.38	-59.65
O=C([O-])COCCOCCNC(=O)C1CCCC(C(F)(F)F)C1	REAL000000129039	0	44	-1.0	-56.96	368.90	5.72	-51.23
COC1=CC=C2OC(C)=C(C(=O)NCCOCCOCC(=O)[O-])C2=C1	REAL000000129040	0	45	-1.0	-63.48	388.49	4.91	-58.57
CC1=NN(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)C=C1	REAL000000129041	0	45	-1.0	-60.98	385.94	6.33	-54.65
COC(=O)NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129042	0	43	-1.0	-61.94	372.82	2.79	-59.15
O=C([O-])COCCOCCNC(=O)COC1CCCCC1	REAL000000129043	0	45	-1.0	-57.88	366.81	5.25	-52.63
O=C([O-])COCCOCCNC(=O)CCOCC(F)(F)F	REAL000000129044	0	38	-1.0	-54.80	345.44	2.73	-52.07
CC(C)COC(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000129045	0	55	-1.0	-60.80	442.82	5.88	-54.92
CCCC(=O)N1CSCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129046	0	46	-1.0	-65.81	391.01	5.39	-60.41
CCC=C(C)C(=O)N1CSCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129047	0	50	-1.0	-67.25	411.23	6.22	-61.03
CC(C)(C)C(=O)N1CSCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129048	0	49	-1.0	-65.98	398.20	5.24	-60.74
CC(C)(C)CC(=O)N1CSCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129049	0	52	-1.0	-64.27	422.71	6.34	-57.93
CCCCC(=O)N1CSCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129050	0	49	-1.0	-65.97	412.51	6.18	-59.79
NC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000129051	0	36	-1.0	-57.90	335.62	0.41	-57.49
CC(C)OC1=CC=CC=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129052	0	48	-1.0	-58.70	398.46	6.15	-52.55
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL000000129053	0	46	-1.0	-57.69	411.09	7.91	-49.78
CC(C(=O)NCCOCCOCC(=O)[O-])N1C(=O)NC2(CCCC2)C1=O	REAL000000129054	0	50	-1.0	-61.85	409.73	3.43	-58.42
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(Br)=C1	REAL000000129055	0	39	-1.0	-57.45	351.39	4.50	-52.95
CC(C)(C)C1=NOC(C2=CC=CC=C2C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000129056	0	52	-1.0	-61.14	437.92	6.27	-54.88
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2C=NN=C2)C=C1	REAL000000129057	0	41	-1.0	-61.81	356.50	7.53	-54.28
CC1=CC2=NC(C(=O)NCCOCCOCC(=O)[O-])=CN2C=C1	REAL000000129058	0	41	-1.0	-60.76	357.45	5.67	-55.10
O=C([O-])COCCOCCNC(=O)CCC1=NC2=CC=CC=C2N1	REAL000000129059	0	44	-1.0	-59.78	378.00	4.74	-55.05
CC1=CC=C(C2=NC(CC(=O)NCCOCCOCC(=O)[O-])=CS2)C=C1	REAL000000129060	0	47	-1.0	-60.79	415.42	6.86	-53.93
CC1=CC=CC(C2=NC(CC(=O)NCCOCCOCC(=O)[O-])=CS2)=C1	REAL000000129061	0	47	-1.0	-60.84	415.43	6.85	-53.99
O=C([O-])COCCOCCNC(=O)COCC1=NC2=CC=CC=C2S1	REAL000000129062	0	44	-1.0	-65.91	396.50	5.04	-60.86
CC1=CC(CSC2=NC=CC=C2C(=O)NCCOCCOCC(=O)[O-])=NO1	REAL000000129063	0	47	-1.0	-64.60	417.42	6.02	-58.58
O=C([O-])COCCOCCNC(=O)CC1=CSC(C2=CC=CC=C2Cl)=N1	REAL000000129064	0	44	-1.0	-61.17	404.36	6.48	-54.69
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL000000129065	0	44	-1.0	-56.55	389.61	6.06	-50.49
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C2=CC=CS2)=N1	REAL000000129066	0	41	-1.0	-55.94	381.97	5.17	-50.77
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C2=CC=CC(Cl)=C2)=N1	REAL000000129067	0	44	-1.0	-55.35	406.34	6.58	-48.77
O=C([O-])COCCOCCNC(=O)C1=CSC(C2=CC=CC(Cl)=C2)=N1	REAL000000129068	0	41	-1.0	-57.78	389.72	5.87	-51.92
O=C([O-])COCCOCCNC(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL000000129069	0	41	-1.0	-57.18	372.99	5.36	-51.82
CC(C)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=C2C=CC=CC2=N1	REAL000000129070	0	49	-1.0	-57.21	401.95	6.75	-50.45
CC1=C(C)N=C2C=C(C(=O)NCCOCCOCC(=O)[O-])C=CC2=N1	REAL000000129071	0	45	-1.0	-61.51	380.53	4.10	-57.42
O=C([O-])COCCOCCNC(=O)CC1=CSC(C2=CC=CN=C2)=N1	REAL000000129072	0	43	-1.0	-62.20	389.04	4.41	-57.79
O=C([O-])COCCOCCNC(=O)CC1=CSC(C2=CC=CS2)=N1	REAL000000129073	0	41	-1.0	-61.06	385.65	5.22	-55.84
CCC1=CC=C(C2=NC(C(=O)NCCOCCOCC(=O)[O-])=CS2)C=C1	REAL000000129074	0	47	-1.0	-56.83	415.87	6.78	-50.05
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C2=CC=C(F)C=C2)=N1	REAL000000129075	0	44	-1.0	-55.29	396.00	6.12	-49.16
O=C([O-])COCCOCCNC(=O)CC1=CSC(N2CCCC2=O)=N1	REAL000000129076	0	45	-1.0	-67.69	398.38	4.67	-63.03
COC1=CC=C(C2=NC(C)=C(C(=O)NCCOCCOCC(=O)[O-])S2)C=C1	REAL000000129077	0	48	-1.0	-56.95	419.02	5.37	-51.58
CC1=NC(COC2=CC=CC=C2C(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000129078	0	48	-1.0	-61.60	419.79	6.86	-54.75
O=C([O-])COCCOCCNC(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL000000129079	0	41	-1.0	-56.38	379.39	5.41	-50.96
O=C([O-])COCCOCCNC(=O)CC1=CSC(C2=CSC=C2)=N1	REAL000000129080	0	41	-1.0	-59.88	385.05	5.11	-54.76
CN(C)C1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129081	0	49	-1.0	-56.29	402.86	6.41	-49.88
COC1=CC=C(C2=NC(C(=O)NCCOCCOCC(=O)[O-])=CS2)C=C1	REAL000000129082	0	45	-1.0	-57.36	402.43	4.66	-52.70
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1OCC1=CSC=N1	REAL000000129083	0	45	-1.0	-61.13	397.85	6.13	-55.00
O=C([O-])COCCOCCNC(=O)CCN1C=NC2=CC=CC=C21	REAL000000129084	0	44	-1.0	-57.89	379.10	6.79	-51.10
CC1=NC(C2=CC=CC=C2)=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000129085	0	44	-1.0	-58.60	388.87	5.92	-52.68
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C2=CC=C(Cl)C=C2)=N1	REAL000000129086	0	44	-1.0	-55.01	406.33	6.58	-48.44
CC1=NC(C2=CNC(C(=O)NCCOCCOCC(=O)[O-])=C2)=CS1	REAL000000129087	0	42	-1.0	-64.05	380.12	3.75	-60.31
O=C([O-])COCCOCCNC(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL000000129088	0	41	-1.0	-56.05	389.71	5.87	-50.18
CC1=NC(CSCC(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000129089	0	41	-1.0	-61.28	381.37	4.29	-56.99
CSCC1=NC2=CC=CC=C2N1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129090	0	48	-1.0	-64.56	422.20	7.11	-57.45
CC1=NC(COC2=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C2)=CS1	REAL000000129091	0	48	-1.0	-60.23	422.03	5.66	-54.57
COC1=CC([N+](=O)[O-])=C(C(=O)NCCOCCOCC(=O)[O-])C=C1SC	REAL000000129092	0	45	-1.0	-61.99	398.77	6.61	-55.38
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129093	0	44	-1.0	-53.33	391.11	7.24	-46.10
O=C([O-])COCCOCCNC(=O)C1=CC2=C(CCOC2)S1	REAL000000129094	0	40	-1.0	-56.84	352.47	3.78	-53.06
O=C([O-])COCCOCCNC(=O)C1=CC=C(OCC(F)(F)C(F)F)N=C1	REAL000000129095	0	44	-1.0	-56.32	400.09	3.52	-52.80
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129096	0	49	-1.0	-63.20	420.25	6.15	-57.05
CC1=CC=C(C(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129097	0	44	-1.0	-56.13	367.70	6.44	-49.68
O=C([O-])COCCOCCNC(=O)CC(C1=CC=CC=C1)C(F)(F)F	REAL000000129098	0	44	-1.0	-54.35	380.92	6.66	-47.69
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(F)C=C1	REAL000000129099	0	44	-1.0	-55.65	367.79	6.23	-49.42
O=C([O-])COCCOCCNC(=O)C1(S(=O)(=O)C2=CC=CC=C2)CC1	REAL000000129100	0	45	-1.0	-58.05	394.23	4.05	-54.00
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2=CC=C3OCOC3=C2)S1	REAL000000129101	0	44	-1.0	-58.72	398.55	4.12	-54.60
O=C([O-])COCCOCCNC(=O)CN1CC2=CC=CC=C2C1=O	REAL000000129102	0	43	-1.0	-70.58	374.17	5.03	-65.54
CC1=CC=C(C(C)(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129103	0	47	-1.0	-56.36	382.39	6.84	-49.52
O=C([O-])COCCOCCNC(=O)C1(C(=O)NC2CC2)CCC1	REAL000000129104	0	46	-1.0	-53.62	386.74	3.22	-50.40
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1Cl	REAL000000129105	0	44	-1.0	-55.93	368.76	6.45	-49.48
O=C([O-])COCCOCCNC(=O)CC1OCCC2=CC=CC=C21	REAL000000129106	0	46	-1.0	-59.24	378.88	6.14	-53.10
O=C([O-])COCCOCCNC(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL000000129107	0	37	-1.0	-61.83	351.28	6.85	-54.98
O=C([O-])COCCOCCNC(=O)CC1=CC=C(Cl)N=C1	REAL000000129108	0	37	-1.0	-57.58	342.07	3.85	-53.73
COC(=O)NCCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129109	0	42	-1.0	-58.75	363.47	0.77	-57.98
COC(=O)N(C)CCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129110	0	45	-1.0	-64.38	383.39	3.37	-61.00
COC(=O)NC(C)(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129111	0	42	-1.0	-54.32	351.70	0.77	-53.55
COC(=O)NC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129112	0	43	-1.0	-58.85	367.09	3.25	-55.60
CCCN(CC)C(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129113	0	54	-1.0	-59.54	438.21	7.05	-52.50
CCN(CC)C(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129114	0	51	-1.0	-59.89	417.94	6.31	-53.59
O=C([O-])COCCOCCNC(=O)CCCC1=CC=C2NC(=O)NC2=C1	REAL000000129115	0	48	-1.0	-61.69	409.04	3.61	-58.08
CCN(C)C(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129116	0	48	-1.0	-68.80	397.85	5.38	-63.42
NS(=O)(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC2=C1CCC2	REAL000000129117	0	47	-1.0	-62.71	404.13	1.40	-61.31
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=C1OCC(=O)N2	REAL000000129118	0	41	-1.0	-62.02	354.39	3.03	-58.99
O=C([O-])COCCOCCNC(=O)CC1=NN(C2=CC=C(F)C=C2)C=C1	REAL000000129119	0	45	-1.0	-62.45	394.80	6.45	-55.99
O=C([O-])COCCOCCNC(=O)C1CCSC2=CC=CC=C21	REAL000000129120	0	43	-1.0	-56.00	367.02	6.81	-49.19
CCCOC1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129121	0	51	-1.0	-56.15	424.61	7.07	-49.07
CC1CCC(CCC(=O)NCCOCCOCC(=O)[O-])O1	REAL000000129122	0	45	-1.0	-56.97	369.72	4.08	-52.89
CC(=CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL000000129123	0	45	-1.0	-54.38	399.38	7.55	-46.83
CCCCCC(C)(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129124	0	49	-1.0	-55.26	387.50	6.33	-48.93
COC1=CC=C(C(C)CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129125	0	48	-1.0	-56.05	394.67	5.77	-50.28
CCC(CC)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000129126	0	50	-1.0	-56.25	387.85	6.96	-49.28
CCN(CC)C(=O)CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129127	0	47	-1.0	-56.72	389.51	4.46	-52.26
CCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL000000129128	0	43	-1.0	-61.38	368.03	6.37	-55.01
CC(C)COC1=CC=C(C(C)(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129129	0	57	-1.0	-56.92	454.33	7.89	-49.03
COC1=CC=CC=C1CC(C)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129130	0	51	-1.0	-58.52	414.82	6.60	-51.92
CCCC(CC1CCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129131	0	53	-1.0	-54.94	409.17	7.42	-47.52
O=C([O-])COCCOCCNC(=O)C1=CC(I)=CN1	REAL000000129132	0	33	-1.0	-56.81	321.08	3.44	-53.37
CN1C(=O)C(=O)N(CC(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000129133	0	39	-1.0	-61.57	355.09	1.52	-60.05
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL000000129134	0	50	-1.0	-57.68	407.51	4.95	-52.73
O=C([O-])COCCOCCNC(=O)CCNC(=O)C1=C2C=CC=CC2=NN1	REAL000000129135	0	48	-1.0	-66.06	413.88	2.36	-63.70
O=C([O-])COCCOCCNC(=O)CCNC(=O)C1=NNC2=CC=CC=C21	REAL000000129135	1	48	-1.0	-65.57	415.70	2.33	-63.24
CC(NC(=O)C1=C2C=CC=CC2=NN1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129136	0	48	-1.0	-59.73	411.31	2.58	-57.16
CC(NC(=O)C1=NNC2=CC=CC=C21)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129136	1	48	-1.0	-61.64	413.13	2.55	-59.08
CC1CCC(NS(=O)(=O)CC(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000129137	0	52	-1.0	-65.58	422.87	1.84	-63.73
O=C([O-])COCCOCCNC(=O)C1CCC(NC(=O)C2CCCC2)CC1	REAL000000129138	0	58	-1.0	-64.65	456.11	5.85	-58.80
O=C([O-])COCCOCCNC(=O)C1CCC(NC(=O)CC2CCCC2)CC1	REAL000000129139	0	61	-1.0	-64.96	475.61	6.62	-58.34
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129140	0	46	-1.0	-63.43	385.16	5.51	-57.92
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129141	0	54	-1.0	-55.14	444.04	5.94	-49.20
CC1=CC2=CNN=C2C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129142	0	41	-1.0	-68.87	353.62	3.99	-64.88
O=C([O-])COCCOCCNC(=O)C1=CC=C(CN2C=C(Cl)C=N2)O1	REAL000000129143	0	42	-1.0	-60.27	391.31	4.89	-55.38
CC1=NOC(C)=C1C(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129144	0	43	-1.0	-59.59	358.36	4.42	-55.17
CC(C)(C(=O)NCCOCCOCC(=O)[O-])N1C=C(Br)C=N1	REAL000000129145	0	41	-1.0	-60.81	366.72	4.52	-56.29
CCC(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129146	0	47	-1.0	-55.97	384.33	7.13	-48.84
O=C([O-])COCCOCCNC(=O)CCCC1CCCC1	REAL000000129147	0	47	-1.0	-55.12	378.45	6.45	-48.67
CC1=CC(CCCC(=O)NCCOCCOCC(=O)[O-])=C(C)S1	REAL000000129148	0	47	-1.0	-57.10	402.97	7.23	-49.87
O=C([O-])COCCOCCNC(=O)CSC1=CC=C(O)C=C1	REAL000000129149	0	40	-1.0	-58.04	359.88	2.83	-55.20
O=C([O-])COCCOCCNC(=O)CC1=CNC2=NC=CC=C12	REAL000000129150	0	41	-1.0	-61.94	357.10	4.53	-57.41
COC1=CC=CC(C(C)CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129151	0	48	-1.0	-57.98	394.68	5.77	-52.21
COCCC1(C(=O)NCCOCCOCC(=O)[O-])CCCC1	REAL000000129152	0	48	-1.0	-54.89	383.06	4.37	-50.52
CC(CCOC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129153	0	48	-1.0	-58.62	397.89	6.18	-52.45
O=C([O-])COCCOCCNC(=O)C1CC12CCOCC2	REAL000000129154	0	43	-1.0	-56.70	351.98	3.65	-53.04
CC1=CC=C(CCCC(=O)NCCOCCOCC(=O)[O-])S1	REAL000000129155	0	44	-1.0	-56.98	385.36	6.71	-50.27
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=CC(Cl)=C2O1	REAL000000129156	0	38	-1.0	-56.37	353.70	5.45	-50.92
CC1(C(=O)NCCOCCOCC(=O)[O-])CCC2=CC=CC=C2C1	REAL000000129157	0	48	-1.0	-57.17	385.13	7.32	-49.85
O=C([O-])COCCOCCNC(=O)C1CC1CC1=CC=CC=C1	REAL000000129158	0	45	-1.0	-57.14	383.54	7.47	-49.67
CCC(OC1=CC=CC(C)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129159	0	48	-1.0	-59.70	392.38	7.02	-52.68
CC1=CC(F)=CC(C(=O)NCCOCCOCC(=O)[O-])=C1[N+](=O)[O-]	REAL000000129160	0	40	-1.0	-62.57	359.03	7.17	-55.40
CCC(OC1=CC=CC=C1F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129161	0	45	-1.0	-63.95	377.22	6.43	-57.52
CC1=C(C)C=C2OC(C(=O)NCCOCCOCC(=O)[O-])=CC2=C1	REAL000000129162	0	44	-1.0	-56.21	375.93	6.17	-50.03
COCCC1(C(=O)NCCOCCOCC(=O)[O-])CCC1	REAL000000129163	0	45	-1.0	-56.06	366.21	3.67	-52.38
CC(C)CC1(C(=O)NCCOCCOCC(=O)[O-])CCCC1	REAL000000129164	0	50	-1.0	-55.38	383.11	6.37	-49.02
CS(=O)(=O)NCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000129165	0	43	-1.0	-67.80	390.39	-0.47	-68.27
COC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C)=C1Br	REAL000000129166	0	39	-1.0	-57.15	369.73	5.31	-51.84
COC1=CC=C(F)C=C1C(F)(F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129167	0	42	-1.0	-57.24	373.60	4.80	-52.45
O=C([O-])COCCOCCNC(=O)C(F)(F)C1=CNC(=O)NC1=O	REAL000000129168	0	38	-1.0	-67.48	347.16	-0.53	-68.01
COC1=CC=C(C2=NC=C(C(=O)NCCOCCOCC(=O)[O-])S2)C=C1	REAL000000129169	0	45	-1.0	-57.38	401.94	4.76	-52.61
CC(C)(C)C(=O)CN1C=C(C(=O)NCCOCCOCC(=O)[O-])N=N1	REAL000000129170	0	48	-1.0	-66.44	408.28	3.59	-62.85
NC(=O)C1=CC(S(=O)(=O)NCC(=O)NCCOCCOCC(=O)[O-])=CN1	REAL000000129171	0	45	-1.0	-72.45	408.33	-4.55	-77.00
CC(C(=O)NCCOCCOCC(=O)[O-])N1N=NC(C2=CC=CC=C2)=N1	REAL000000129172	0	46	-1.0	-63.52	400.59	4.90	-58.62
O=C([O-])COCCOCCNC(=O)CCC(=O)C1=CSC2=CC=CC=C12	REAL000000129173	0	46	-1.0	-58.04	405.69	7.20	-50.84
CC(OC1=CC=CC=C1Br)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129174	0	42	-1.0	-61.26	376.32	6.41	-54.85
O=C([O-])COCCOCCNC(=O)CN1N=CC2=CC=CC=C21	REAL000000129175	0	41	-1.0	-63.28	359.04	4.82	-58.47
O=C([O-])COCCOCCNC(=O)C1CC1C1=CC=C(Cl)C=C1Cl	REAL000000129176	0	42	-1.0	-56.22	389.25	7.50	-48.72
COC1=CC=C(C(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129177	0	45	-1.0	-57.13	375.77	5.09	-52.04
O=C([O-])COCCOCCNC(=O)C1=C(S(=O)(=O)C(F)F)C=CS1	REAL000000129178	0	38	-1.0	-60.73	358.72	2.41	-58.32
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CN2N=C1	REAL000000129179	0	38	-1.0	-62.10	333.20	4.27	-57.83
O=C([O-])COCCOCCNC(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL000000129180	0	39	-2.0	-107.82	355.40	1.43	-106.39
CC1(C(=O)NCCOCCOCC(=O)[O-])CCCN(C(=O)C2=CC=CC=C2)C1	REAL000000129181	0	55	-1.0	-59.34	436.92	7.08	-52.26
CC1(C(=O)NCCOCCOCC(=O)[O-])CCCN1C(=O)C1=CC=CC=C1	REAL000000129182	0	52	-1.0	-72.71	419.60	6.74	-65.97
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1	REAL000000129183	0	39	-1.0	-57.96	347.65	4.39	-53.57
COC(=O)N[C@H](C(=O)NCCOCCOCC(=O)[O-])C(C)C	REAL000000129184	0	45	-1.0	-54.19	370.51	1.68	-52.50
COC(=O)NC(C(=O)NCCOCCOCC(=O)[O-])C(C)C	REAL000000129185	0	45	-1.0	-53.55	372.00	1.64	-51.91
O=C([O-])COCCOCCNC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL000000129186	0	37	-1.0	-55.71	340.33	5.28	-50.42
CN(C(=O)C1=CC=CO1)C1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129187	0	49	-1.0	-66.22	417.63	7.03	-59.19
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CC=C2Cl)=N1	REAL000000129188	0	45	-1.0	-62.50	402.20	6.38	-56.12
O=C([O-])COCCOCCNC(=O)C1CC1C1=C2C=CC=CC2=CC=C1	REAL000000129189	0	48	-1.0	-57.43	400.85	8.67	-48.76
CC(C)COC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129190	0	48	-1.0	-60.64	396.52	7.51	-53.13
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1S(N)(=O)=O	REAL000000129191	0	43	-1.0	-61.86	375.29	0.27	-61.59
COC1=CC=CC(C2(C(=O)NCCOCCOCC(=O)[O-])CCCC2)=C1	REAL000000129192	0	52	-1.0	-57.91	414.39	7.14	-50.78
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1OC1CCCC1	REAL000000129193	0	49	-1.0	-61.33	397.65	7.99	-53.34
O=C([O-])COCCOCCNC(=O)C1=CC=CC(OC2CCCC2)=C1	REAL000000129194	0	49	-1.0	-59.12	399.79	6.76	-52.36
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])N=NN1C1=CC=CC(Cl)=C1	REAL000000129195	0	47	-1.0	-57.07	416.02	5.91	-51.16
CC(C)COC1=CC=C(C2(C(=O)NCCOCCOCC(=O)[O-])CCC2)C=C1	REAL000000129196	0	58	-1.0	-59.25	467.13	8.56	-50.69
O=C([O-])COCCOCCNC(=O)C1=C(NC(=O)C2=CC=CO2)SC=C1	REAL000000129197	0	43	-1.0	-59.17	388.63	3.87	-55.30
CC1=NN(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2F)C(C)=C1	REAL000000129198	0	48	-1.0	-62.01	413.15	6.96	-55.06
O=C([O-])COCCOCCNC(=O)C1=CN(C2=CC=CC([N+](=O)[O-])=C2)N=N1	REAL000000129199	0	43	-1.0	-63.18	391.29	4.90	-58.28
O=C([O-])COCCOCCNC(=O)CCCCCC1=CC=CS1	REAL000000129200	0	47	-1.0	-56.50	406.47	7.47	-49.03
O=C([O-])COCCOCCNC(=O)CN1C(=O)CCC2=CC=CC=C21	REAL000000129201	0	46	-1.0	-60.37	385.51	5.91	-54.47
CS(=O)(=O)NC1=CC=CC=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129202	0	46	-1.0	-62.17	400.22	2.03	-60.15
COC1=CC=C(C(C)C(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL000000129203	0	49	-1.0	-59.37	404.99	5.00	-54.36
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C2C=CC=CC2=C1	REAL000000129204	0	47	-1.0	-58.34	392.19	8.00	-50.34
COC1=CC=C(C(C)(C)C(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL000000129205	0	52	-1.0	-59.79	420.10	5.40	-54.39
O=C([O-])COCCOCCNC(=O)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL000000129206	0	42	-1.0	-56.25	383.28	7.26	-48.99
COC1=CC(Cl)=C(Cl)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129207	0	39	-1.0	-56.29	364.90	6.10	-50.19
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000129208	0	45	-2.0	-118.65	401.65	4.79	-113.86
CC(C)CC(C(=O)NCCOCCOCC(=O)[O-])N1CCCCC1=O	REAL000000129209	0	54	-1.0	-67.24	421.85	7.41	-59.83
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(Br)S1	REAL000000129210	0	35	-1.0	-56.22	336.56	4.98	-51.24
CC1=C(Br)SC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129211	0	35	-1.0	-53.52	338.98	4.87	-48.65
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC(F)=C2)CC1	REAL000000129212	0	42	-1.0	-54.51	363.15	6.32	-48.19
CC1=CC=CC=C1C(C)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129213	0	47	-1.0	-54.97	382.63	7.00	-47.97
O=C([O-])COCCOCCNC(=O)C(=O)C1=CC=C(Br)C=C1	REAL000000129214	0	37	-1.0	-51.24	347.55	4.99	-46.25
O=C([O-])COCCOCCNC(=O)CC1=CC=C(Cl)C=C1Br	REAL000000129215	0	38	-1.0	-57.11	365.30	6.24	-50.87
O=C([O-])COCCOCCNC(=O)CCC1CCOCC1	REAL000000129216	0	45	-1.0	-56.08	363.67	3.83	-52.25
CC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])C(C(C)C)=N1	REAL000000129217	0	45	-1.0	-54.46	373.09	4.68	-49.78
O=C([O-])COCCOCCNC(=O)C1=CC=CC(COC2=CC=CC(F)=C2)=C1	REAL000000129218	0	49	-1.0	-61.42	423.42	7.89	-53.53
O=C([O-])COCCOCCNC(=O)C(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL000000129219	0	44	-1.0	-56.64	387.18	5.58	-51.05
O=C([O-])COCCOCCNC(=O)C1=CC=CC(NC2=CC=CC=C2)=C1	REAL000000129220	0	47	-1.0	-60.19	396.61	6.87	-53.32
COC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C)=C1	REAL000000129221	0	39	-1.0	-61.09	347.81	4.65	-56.44
CC(C)C1=NOC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129222	0	40	-1.0	-53.51	346.90	3.86	-49.65
CC1=CC(OC(F)F)=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000129223	0	39	-1.0	-59.97	357.58	4.92	-55.05
CC1=CC(F)=CC=C1C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1F	REAL000000129224	0	48	-1.0	-55.03	414.31	8.74	-46.29
CC(C)CCCCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129225	0	49	-1.0	-54.93	395.40	6.67	-48.26
CCCCCC(C)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129226	0	49	-1.0	-54.50	391.29	6.61	-47.89
CC1=NC=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000129227	0	36	-1.0	-54.45	332.55	3.09	-51.36
CC(=O)N[C@@H](CC(=O)NCCOCCOCC(=O)[O-])C(N)=O	REAL000000129228	0	42	-1.0	-65.92	365.20	-2.03	-67.95
O=C([O-])COCCOCCNC(=O)C1SCCC2=CC=CC=C21	REAL000000129229	0	43	-1.0	-58.91	367.63	6.48	-52.42
CCC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129230	0	43	-1.0	-60.24	368.76	5.84	-54.40
O=C([O-])COCCOCCNC(=O)COC1=CC(Cl)=CC(Cl)=C1	REAL000000129231	0	39	-1.0	-56.99	372.73	6.16	-50.84
O=C([O-])COCCOCCNC(=O)C1CC1C1=CC(Cl)=CC(Cl)=C1	REAL000000129232	0	42	-1.0	-53.90	391.74	7.59	-46.31
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1N1CCNC1=O	REAL000000129233	0	49	-1.0	-69.59	414.73	2.96	-66.64
O=C([O-])COCCOCCNC(=O)C1=CC(N2CCNC2=O)=CC=C1Cl	REAL000000129234	0	45	-1.0	-62.58	390.69	3.80	-58.78
O=C([O-])COCCOCCNC(=O)C1=CC=C(Cl)C(N2CCNC2=O)=C1	REAL000000129235	0	45	-1.0	-66.36	401.54	4.31	-62.05
O=C([O-])COCCOCCNC(=O)CC(CC1=CC=CC=C1)C1=CC=CC=C1	REAL000000129236	0	54	-1.0	-57.90	443.47	9.97	-47.92
CN1N=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C1CC1	REAL000000129237	0	42	-1.0	-59.52	361.65	4.34	-55.17
CCC(=CC(=O)NCCOCCOCC(=O)[O-])C1=CC=C(C)C=C1	REAL000000129238	0	48	-1.0	-54.21	400.24	7.94	-46.27
CCCCCCCCOCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129239	0	53	-1.0	-57.91	433.91	7.30	-50.61
O=C([O-])COCCOCCNC(=O)C1(CC2=CC=CC=C2)CCC1	REAL000000129240	0	48	-1.0	-59.48	390.84	7.56	-51.92
CCC1=NOC(CC)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129241	0	46	-1.0	-59.64	389.30	5.53	-54.11
O=C([O-])COCCOCCNC(=O)C1(CC2=CC=CC=C2)CC1	REAL000000129242	0	45	-1.0	-57.15	381.84	7.13	-50.02
COC1=CC=CC(OC)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129243	0	46	-1.0	-59.91	386.68	3.98	-55.93
COC1=CC=C(OC)C(C(F)(F)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129244	0	46	-1.0	-59.31	396.67	4.03	-55.28
CC(C)CC1(C(=O)NCCOCCOCC(=O)[O-])CCC1	REAL000000129245	0	47	-1.0	-55.21	364.63	5.92	-49.29
O=C([O-])COCCOCCNC(=O)C1CCCCCCC1	REAL000000129246	0	47	-1.0	-54.49	353.00	5.69	-48.79
CC(C)C1=NN(C)C(Cl)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129247	0	44	-1.0	-56.39	391.91	4.46	-51.93
O=C([O-])COCCOCCNC(=O)C1=CNC=C1C1=CC=C(F)C=C1	REAL000000129248	0	43	-1.0	-61.88	376.04	6.13	-55.74
COCCOCC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1F	REAL000000129249	0	49	-1.0	-60.32	419.95	4.74	-55.58
CC(C)(NC(=O)NC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129250	0	50	-1.0	-56.43	411.30	3.72	-52.72
O=C([O-])COCCOCCNC(=O)C1CC1C1CCCCC1	REAL000000129251	0	48	-1.0	-55.15	380.53	6.87	-48.27
CC(C)(C)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=NO1	REAL000000129252	0	43	-1.0	-54.98	367.53	4.55	-50.43
CC(=O)NC(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=C(F)C=C1F	REAL000000129253	0	48	-1.0	-55.75	411.40	4.45	-51.30
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CC(C)C1=NC(C(=O)NCCOCCOCC(=O)[O-])=NN1C1=CC=CC=C1F	REAL000000129257	0	50	-1.0	-67.97	429.68	7.20	-60.77
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O=C([O-])COCCOCCNC(=O)C1CCN(C2=NC=CC=N2)CC1	REAL000000129262	0	48	-1.0	-59.49	394.05	5.34	-54.15
CC1=NN(C)C2=NC(C)=C(CCC(=O)NCCOCCOCC(=O)[O-])C(C)=C12	REAL000000129263	0	55	-1.0	-58.81	445.49	6.58	-52.22
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CN(CC(=O)NCCOCCOCC(=O)[O-])C1=NS(=O)(=O)C2=CC=CC=C21	REAL000000129265	0	47	-1.0	-81.65	408.48	2.63	-79.01
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COCC1=C(C(=O)NCCOCCOCC(=O)[O-])SC2=CC=CC(F)=C21	REAL000000129267	0	45	-1.0	-59.23	396.92	5.61	-53.62
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL000000129268	0	44	-1.0	-57.15	384.54	5.04	-52.11
CC1=CC(N2C(C)=CC(C(=O)NCCOCCOCC(=O)[O-])=C2C)=NO1	REAL000000129269	0	48	-1.0	-61.54	408.08	7.41	-54.13
CC1=CC=CC(C2N=NC(=S)N2CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129270	0	48	-1.0	-66.68	429.67	5.84	-60.84
O=C([O-])COCCOCCNC(=O)CN1C(=S)N=NC1C1=CC=CS1	REAL000000129271	0	42	-1.0	-57.40	392.23	4.06	-53.34
CS(=O)(=O)CC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129272	0	44	-1.0	-71.08	390.76	2.75	-68.33
COC1=CC=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=C1OC(F)F	REAL000000129273	0	47	-1.0	-62.95	409.50	5.38	-57.57
O=C([O-])COCCOCCNC(=O)CSC1=CC=C(F)C(F)=C1	REAL000000129274	0	39	-1.0	-57.89	361.57	5.83	-52.06
CN(C)C(=O)COC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129275	0	49	-1.0	-74.51	411.34	6.38	-68.13
O=C([O-])COCCOCCNC(=O)C1=CC=C(F)C=C1Br	REAL000000129276	0	35	-1.0	-55.22	328.39	5.25	-49.97
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1C1CCCCC1	REAL000000129277	0	55	-1.0	-57.77	424.75	8.16	-49.61
O=C([O-])COCCOCCNC(=O)CC1=COC2=CC(F)=CC=C12	REAL000000129278	0	41	-1.0	-59.02	364.60	5.66	-53.37
CC(=CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1OC(F)F	REAL000000129279	0	46	-1.0	-57.23	399.06	6.17	-51.06
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=CC=C1OC1CCCC1	REAL000000129280	0	49	-1.0	-58.62	414.84	8.50	-50.12
O=C([O-])COCCOCCNC(=O)CCCC1=CSC2=CC=CC=C12	REAL000000129281	0	47	-1.0	-58.59	409.60	8.14	-50.45
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129282	0	54	-1.0	-58.28	435.85	8.12	-50.15
O=C([O-])COCCOCCNC(=O)CCC(=O)C1=C(Cl)SC(Cl)=C1	REAL000000129283	0	40	-1.0	-54.69	394.15	6.07	-48.62
O=C([O-])COCCOCCNC(=O)CCCC1=C(Cl)SC(Cl)=C1	REAL000000129284	0	41	-1.0	-55.71	395.65	6.93	-48.78
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129285	0	46	-1.0	-64.22	407.98	-0.69	-64.91
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000129286	0	46	-1.0	-61.12	401.00	1.19	-59.93
CC(C)C(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(Cl)=C1	REAL000000129287	0	47	-1.0	-53.73	402.96	7.37	-46.36
CCC(OC1CCCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129288	0	51	-1.0	-58.21	400.35	6.57	-51.64
O=C([O-])COCCOCCNC(=O)C12CC3CC(C1)CC(C(F)(F)F)(C3)C2	REAL000000129289	0	52	-1.0	-57.01	405.65	7.23	-49.78
CS(=O)(=O)CC1(CC(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000129290	0	44	-1.0	-59.66	378.90	1.88	-57.78
O=C([O-])COCCOCCNC(=O)C1SCCC2=C1C=CS2	REAL000000129291	0	40	-1.0	-57.89	360.04	5.65	-52.25
O=C([O-])COCCOCCNC(=O)C1=CC=C(C(=O)C2=CNC=C2)C=C1	REAL000000129292	0	45	-1.0	-61.31	388.28	5.75	-55.56
O=C([O-])COCCOCCNC(=O)C1CC(=O)N(C2=CNN=C2)C1	REAL000000129293	0	43	-1.0	-60.10	368.29	2.02	-58.08
CC(C)OCCS(=O)(=O)NCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129294	0	49	-1.0	-64.19	424.10	-0.58	-64.77
O=C([O-])COCCOCCNC(=O)C1CCCC2=NNC=C21	REAL000000129295	0	42	-1.0	-57.21	344.99	3.52	-53.69
O=C([O-])COCCOCCNC(=O)C1CCCC2=C1C=NN2	REAL000000129295	1	42	-1.0	-59.91	345.04	3.49	-56.41
CC1=CC=C(SC2(C(=O)NCCOCCOCC(=O)[O-])CCCC2)C=C1	REAL000000129296	0	52	-1.0	-54.28	424.02	8.50	-45.78
CNS(=O)(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)O1	REAL000000129297	0	43	-1.0	-61.05	386.41	-0.44	-61.49
CC1=NN(C)C(C)=C1OCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129298	0	45	-1.0	-62.02	387.20	4.08	-57.93
CCC1=NNC(=O)C(C(=O)NCCOCCOCC(=O)[O-])=C1CC	REAL000000129299	0	46	-1.0	-57.45	377.48	3.15	-54.31
COC1=CC=C(C)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129300	0	42	-1.0	-60.28	354.45	5.80	-54.49
CC(C)CC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129301	0	50	-1.0	-56.39	411.55	7.90	-48.49
O=C([O-])COCCOCCNC(=O)CCCNC1=CC=C([N+](=O)[O-])C=C1	REAL000000129302	0	48	-1.0	-60.53	415.07	5.64	-54.89
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129303	0	51	-1.0	-61.75	425.69	7.31	-54.44
CC1=CC=NN1C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129304	0	45	-1.0	-59.44	382.94	6.16	-53.28
O=C([O-])COCCOCCNC(=O)CC1CCS(=O)(=O)C1	REAL000000129305	0	41	-1.0	-61.58	352.13	0.86	-60.72
O=C([O-])COCCOCCNC(=O)C1=CC=CC(N2CCCC2=O)=C1	REAL000000129306	0	46	-1.0	-70.75	383.01	5.67	-65.08
CCS(=O)(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000129307	0	49	-1.0	-63.80	407.31	2.15	-61.65
O=C([O-])COCCOCCNC(=O)CCNC(=O)C1=CC=C2C=CC=CC2=C1	REAL000000129308	0	51	-1.0	-65.97	432.90	5.92	-60.05
COCCN1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL000000129309	0	46	-1.0	-58.77	386.77	2.28	-56.50
O=C([O-])COCCOCCNC(=O)C1CC(=O)N(C2CCCCC2)C1	REAL000000129310	0	52	-1.0	-56.36	411.81	5.59	-50.77
CC(C)(C)N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL000000129311	0	48	-1.0	-65.55	386.79	4.26	-61.29
CCN1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL000000129312	0	42	-1.0	-59.52	354.70	3.11	-56.40
CC(C)CN1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL000000129313	0	48	-1.0	-58.92	391.72	4.43	-54.48
CCC(CC)N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL000000129314	0	51	-1.0	-64.83	407.59	5.86	-58.97
CC(C)C1=NN(C)C2=C1C=C(C(=O)NCCOCCOCC(=O)[O-])S2	REAL000000129315	0	47	-1.0	-57.02	411.66	5.57	-51.46
O=C([O-])COCCOCCNC(=O)C1CCCCN1C(=O)C1=NNC(=O)C=C1	REAL000000129316	0	51	-1.0	-62.38	417.68	3.61	-58.77
CC1=CC=C2CC(C(=O)NCCOCCOCC(=O)[O-])SC2=C1	REAL000000129317	0	43	-1.0	-58.74	374.75	6.74	-52.00
CC(C(=O)NCCOCCOCC(=O)[O-])N1C(=O)OC2=CC=CC=C21	REAL000000129318	0	44	-1.0	-65.30	377.16	5.95	-59.35
CN1C(=O)N(CC(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL000000129319	0	45	-1.0	-63.09	389.94	5.97	-57.12
O=C([O-])COCCOCCNC(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL000000129320	0	41	-1.0	-55.38	374.27	2.66	-52.71
CS(=O)(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000129321	0	46	-1.0	-64.31	385.88	1.26	-63.04
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(SC(F)(F)F)C=C1	REAL000000129322	0	43	-1.0	-55.91	396.42	7.20	-48.72
CN(C1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-])S(C)(=O)=O	REAL000000129323	0	46	-1.0	-72.90	397.31	3.66	-69.24
CC(C)C(NC(=O)NCC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129324	0	56	-1.0	-54.39	457.48	4.48	-49.91
O=C([O-])COCCOCCNC(=O)C1=CC=C(SC(F)F)C=C1	REAL000000129325	0	39	-1.0	-56.62	355.37	5.80	-50.81
O=C([O-])COCCOCCNC(=O)CCNC1=CC=CC=C1[N+](=O)[O-]	REAL000000129326	0	45	-1.0	-57.83	390.81	5.07	-52.76
CC1=NN2C(=C1)N=CC(C(=O)NCCOCCOCC(=O)[O-])=C2C	REAL000000129327	0	43	-1.0	-57.33	372.85	4.42	-52.91
O=C([O-])COCCOCCNC(=O)CN1C(=O)COC2=CC=C(Cl)C=C21	REAL000000129328	0	44	-1.0	-60.52	393.54	4.51	-56.01
CS(=O)(=O)NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129329	0	43	-1.0	-63.96	382.64	1.17	-62.79
COC1=CC=C(F)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129330	0	39	-1.0	-58.54	339.46	5.19	-53.35
O=C([O-])COCCOCCNC(=O)C1=CC2=C(CCCC2=O)NC1=O	REAL000000129331	0	44	-1.0	-70.78	373.46	3.31	-67.47
O=C([O-])COCCOCCNC(=O)CC1=CN(C2=CC=CC=C2)N=C1	REAL000000129332	0	45	-1.0	-60.96	389.19	6.43	-54.53
CC(=O)NC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129333	0	46	-1.0	-63.75	396.57	4.64	-59.12
CC1=CC=C(N2N=CC(C(=O)NCCOCCOCC(=O)[O-])=C2C(C)C)C=C1	REAL000000129334	0	54	-1.0	-57.03	434.19	7.95	-49.09
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=CC(Cl)=C1	REAL000000129335	0	48	-1.0	-57.51	419.96	7.33	-50.18
CC(C)NC(=O)NC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129336	0	50	-1.0	-70.30	419.08	3.74	-66.56
O=C([O-])COCCOCCNC(=O)C(F)(F)C1=CC=C(Cl)C=C1	REAL000000129337	0	38	-1.0	-52.00	356.69	5.84	-46.16
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL000000129338	0	44	-1.0	-63.76	374.27	4.63	-59.13
O=C([O-])COCCOCCNC(=O)C1=CC=CC(N2CCNC2=O)=C1	REAL000000129339	0	45	-1.0	-72.91	378.17	3.28	-69.63
O=C([O-])COCCOCCNC(=O)C1=CC=CC(N2CCOC2=O)=C1	REAL000000129340	0	44	-1.0	-73.73	374.47	4.62	-69.12
CC1=CC=C(C(=O)CCC(=O)CCC(=O)NCCOCCOCC(=O)[O-])S1	REAL000000129341	0	51	-1.0	-58.07	449.67	7.24	-50.82
CC(C)(C)C1=NNC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129342	0	44	-1.0	-55.35	369.81	3.49	-51.86
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=CC=C2)=NO1	REAL000000129343	0	41	-1.0	-55.07	364.40	5.53	-49.54
O=C([O-])COCCOCCNC(=O)C1=NNC2=C1CCCC2	REAL000000129344	0	42	-1.0	-58.70	349.88	3.39	-55.30
O=C([O-])COCCOCCNC(=O)C1=C2CCCCC2=NN1	REAL000000129344	1	42	-1.0	-55.91	348.77	3.44	-52.46
CC1=CC=C(N2C=C(C(=O)NCCOCCOCC(=O)[O-])N=N2)C=C1	REAL000000129345	0	44	-1.0	-57.48	384.43	4.91	-52.57
CC1=NN(C)C2=NC(C)=CC(C(=O)NCCOCCOCC(=O)[O-])=C12	REAL000000129346	0	46	-1.0	-56.75	388.19	4.72	-52.02
CN1C(=O)C2=CC(C(=O)NCCOCCOCC(=O)[O-])=CN=C2N(C)C1=O	REAL000000129347	0	46	-1.0	-58.80	393.97	4.16	-54.64
CC1=CN2C=C(CSCC(=O)NCCOCCOCC(=O)[O-])N=C2C=C1	REAL000000129348	0	48	-1.0	-66.74	423.15	7.71	-59.02
CC1=C(CC(=O)NCCOCCOCC(=O)[O-])N=C(C2=CC=CC=C2)O1	REAL000000129349	0	47	-1.0	-61.16	407.64	4.39	-56.77
CN1C(=O)NC(=O)C2=CC(C(=O)NCCOCCOCC(=O)[O-])=CN=C21	REAL000000129350	0	43	-1.0	-58.69	375.31	2.00	-56.69
O=C([O-])COCCOCCNC(=O)C1=CN=C2C(=C1)C=NN2CC1=CC=CC=C1	REAL000000129351	0	50	-1.0	-58.20	431.92	7.57	-50.63
O=C([O-])COCCOCCNC(=O)C1=NC(N2CCOCC2)=NC=C1Cl	REAL000000129352	0	46	-1.0	-55.43	399.20	3.53	-51.90
CC1=C(CC(=O)NCCOCCOCC(=O)[O-])N=C(C2=CC=CS2)O1	REAL000000129353	0	44	-1.0	-65.30	399.17	3.35	-61.96
O=C([O-])COCCOCCNC(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C1CC1	REAL000000129354	0	47	-1.0	-58.91	404.68	3.76	-55.16
CC1=NN(C)C2=NC=C(C(=O)NCCOCCOCC(=O)[O-])C=C12	REAL000000129355	0	43	-1.0	-57.85	372.17	4.30	-53.55
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2C=CC=N2)N=C1	REAL000000129356	0	41	-1.0	-58.08	361.32	5.04	-53.04
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2C=NC=N2)N=C1	REAL000000129357	0	40	-1.0	-57.55	356.12	6.40	-51.16
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2C=CN=C2)N=C1	REAL000000129358	0	41	-1.0	-58.15	358.79	6.21	-51.94
O=C([O-])COCCOCCNC(=O)C1=CC=C(C(F)(F)F)C=N1	REAL000000129359	0	37	-1.0	-53.70	341.82	3.80	-49.90
CN1C(=O)C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2[N-]C1=S	REAL000000129360	0	43	-2.0	-98.68	386.74	4.78	-93.90
CN1C(=O)C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2NC1=S	REAL000000129360	1	44	-1.0	-58.32	389.68	5.35	-52.97
CCN1C(=O)C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2[N-]C1=S	REAL000000129361	0	46	-2.0	-99.18	407.87	5.82	-93.37
CCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000129362	0	38	-1.0	-55.53	341.19	5.13	-50.41
COC1=CC=C(C)C=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129363	0	45	-1.0	-58.91	380.07	5.26	-53.65
CC1=CC=C(C2=C(C(=O)NCCOCCOCC(=O)[O-])SC=C2)C=C1	REAL000000129364	0	45	-1.0	-57.11	393.30	7.81	-49.30
CNS(=O)(=O)C1=CC=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129365	0	46	-1.0	-57.68	398.38	1.41	-56.27
O=C([O-])COCCOCCNC(=O)CCC1=NC(C2=CC=CC=C2)=NO1	REAL000000129366	0	46	-1.0	-57.60	402.65	4.68	-52.92
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])SN=N1	REAL000000129367	0	36	-1.0	-53.48	327.44	2.47	-51.00
COC1=CC=C(C)C=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129368	0	46	-1.0	-59.51	390.02	5.79	-53.71
O=C([O-])COCCOCCNC(=O)CSC1CCS(=O)(=O)C1	REAL000000129369	0	42	-1.0	-65.04	378.87	1.56	-63.47
COC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129370	0	41	-1.0	-59.41	361.22	5.79	-53.62
COC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1F	REAL000000129371	0	42	-1.0	-61.29	366.08	4.60	-56.69
O=C([O-])COCCOCCNC(=O)COC1=C2C=CC=CC2=C(Cl)C=C1	REAL000000129372	0	45	-1.0	-59.50	398.67	7.84	-51.66
O=C([O-])COCCOCCNC(=O)C1=CC=C(F)C=C1[N+](=O)[O-]	REAL000000129373	0	37	-1.0	-62.41	336.38	6.30	-56.11
CC1=CC=C(C)C(CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129374	0	44	-1.0	-56.66	368.54	6.38	-50.29
O=C([O-])COCCOCCNC(=O)C1=CC=CC(Cl)=N1	REAL000000129375	0	34	-1.0	-55.89	319.81	3.24	-52.65
COC1=CC=C(C(=O)CCC(=O)NCCOCCOCC(=O)[O-])C=C1F	REAL000000129376	0	47	-1.0	-57.89	407.57	5.26	-52.63
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=CC=C1Br	REAL000000129377	0	35	-1.0	-54.62	338.73	5.69	-48.93
CN1N=C(C(C)(C)C)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129378	0	47	-1.0	-55.71	388.53	4.75	-50.95
COC1=CC=C(C2=NNC(C(=O)NCCOCCOCC(=O)[O-])=C2)C(OC)=C1	REAL000000129379	0	50	-1.0	-59.43	423.88	3.49	-55.94
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=CC=C2Cl)=NN1	REAL000000129380	0	42	-1.0	-57.54	379.53	5.25	-52.29
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=C3OCOC3=C2)=NN1	REAL000000129381	0	45	-1.0	-58.19	393.28	3.24	-54.95
COC1=CC=CC(OCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129382	0	43	-1.0	-62.01	368.76	4.44	-57.57
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=CS2)=NN1	REAL000000129383	0	39	-1.0	-56.56	359.42	3.70	-52.86
O=C([O-])COCCOCCNC(=O)C1=CSC([N+](=O)[O-])=C1	REAL000000129384	0	34	-1.0	-58.85	327.05	4.31	-54.53
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1	REAL000000129385	0	42	-1.0	-55.71	373.58	4.64	-51.07
CCCCCCCCCC=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129386	0	56	-1.0	-54.96	455.50	9.10	-45.86
O=C([O-])COCCOCCNC(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL000000129387	0	42	-1.0	-56.08	376.35	5.00	-51.07
O=C([O-])COCCOCCNC(=O)CC1=CC=C2OCOC2=C1	REAL000000129388	0	41	-1.0	-60.96	356.42	3.89	-57.07
COC1=CC=CC=C1C1=NNC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129389	0	46	-1.0	-59.10	394.46	4.18	-54.93
O=C([O-])COCCOCCNC(=O)C1=CC=C2OCCC2=C1	REAL000000129390	0	40	-1.0	-57.40	341.62	4.41	-52.99
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=CO2)=NN1	REAL000000129391	0	39	-1.0	-58.04	350.29	2.70	-55.33
O=C([O-])COCCOCCNC(=O)COC1=CC=CC([N+](=O)[O-])=C1	REAL000000129392	0	41	-1.0	-64.91	367.48	5.80	-59.11
CC(OC1=CC=CC=C1Cl)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129393	0	42	-1.0	-61.58	371.94	6.30	-55.28
CC1=CC(Br)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129394	0	38	-1.0	-53.59	343.08	5.85	-47.74
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1SC(F)(F)F	REAL000000129395	0	39	-1.0	-56.68	357.64	6.00	-50.68
O=C([O-])COCCOCCNC(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL000000129396	0	37	-1.0	-58.19	338.45	5.30	-52.89
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NN1	REAL000000129397	0	42	-1.0	-56.22	383.91	5.09	-51.13
O=C([O-])COCCOCCNC(=O)C1=CC(F)=C(F)C(F)=C1	REAL000000129398	0	35	-1.0	-53.23	324.70	4.75	-48.48
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2CCOCC2)C=C1	REAL000000129399	0	48	-1.0	-57.38	389.50	3.39	-53.99
O=C([O-])COCCOCCNC(=O)C1CN(CC2=CC=CC=C2)CCO1	REAL000000129400	0	51	-1.0	-57.68	417.69	4.72	-52.96
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CN=CO2)C=C1	REAL000000129401	0	41	-1.0	-59.66	360.02	2.95	-56.71
CC1=NC(C2=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C2)=CS1	REAL000000129402	0	44	-1.0	-63.71	390.24	5.98	-57.73
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1N1CCOCC1	REAL000000129403	0	48	-1.0	-57.78	391.05	4.73	-53.05
O=C([O-])COCCOCCNC(=O)C1=CC=C(Br)C=N1	REAL000000129404	0	34	-1.0	-53.78	324.27	3.43	-50.35
O=C([O-])COCCOCCNC(=O)CC1=CN2C=CC=CC2=N1	REAL000000129405	0	41	-1.0	-65.57	356.46	5.83	-59.74
O=C([O-])COCCOCCNC(=O)C1=CC=CN=C1N1CCOCC1	REAL000000129406	0	47	-1.0	-59.15	388.76	3.70	-55.45
O=C([O-])COCCOCCNC(=O)CCNS(=O)(=O)C1=CC=CN=C1	REAL000000129407	0	45	-1.0	-61.34	401.50	-0.23	-61.57
CN(CC(=O)NCCOCCOCC(=O)[O-])S(=O)(=O)C1=CC=CN=C1	REAL000000129408	0	45	-1.0	-67.95	400.05	1.15	-66.80
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL000000129409	0	41	-1.0	-56.94	372.53	5.45	-51.48
COCC(=O)NCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129410	0	42	-1.0	-67.42	364.16	0.74	-66.67
COC1=CC=C(C(=O)NCCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129411	0	52	-1.0	-60.62	437.73	3.81	-56.81
O=C([O-])COCCOCCNC(=O)CCCNC(=O)C1CC1	REAL000000129412	0	45	-1.0	-59.19	383.46	2.95	-56.24
COC1=CC=C(SC(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129413	0	46	-1.0	-56.11	396.97	5.44	-50.67
CC(SC1=CC=CC=C1Cl)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129414	0	42	-1.0	-58.24	380.33	6.61	-51.63
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC2CCCC2)C=C1	REAL000000129415	0	49	-1.0	-56.05	400.23	6.77	-49.28
O=C([O-])COCCOCCNC(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL000000129416	0	42	-1.0	-58.38	376.56	5.25	-53.12
CCCOC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129417	0	45	-1.0	-58.82	378.56	5.60	-53.22
NC(=O)COC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129418	0	43	-1.0	-70.30	373.79	1.96	-68.34
CC(SCC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129419	0	45	-1.0	-58.85	393.33	7.16	-51.70
CC(=O)NC1=CC=C(SC(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129420	0	49	-1.0	-62.88	423.74	5.04	-57.84
CC(SC1=CC(Cl)=CC=C1Cl)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129421	0	42	-1.0	-55.96	397.06	7.12	-48.84
COC1=CC=CC(SCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129422	0	43	-1.0	-59.42	378.36	5.00	-54.42
CC(C)C1=CC=C(SCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129423	0	48	-1.0	-56.91	409.06	7.62	-49.29
CC(C)SC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129424	0	45	-1.0	-55.79	383.52	6.94	-48.85
O=C([O-])COCCOCCNC(=O)C1=CC=C(SCC2=CC=CC=C2)C=C1	REAL000000129425	0	49	-1.0	-57.22	427.14	9.43	-47.79
CC(C)CCSCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129426	0	44	-1.0	-56.70	375.43	5.68	-51.02
O=C([O-])COCCOCCNC(=O)CSCC1=CC=C(Cl)C=C1Cl	REAL000000129427	0	42	-1.0	-58.64	405.57	7.54	-51.10
CC(C)CCOC(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129428	0	47	-1.0	-57.98	385.26	5.40	-52.59
CC(OCC1CCCCO1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129429	0	49	-1.0	-59.47	399.90	4.59	-54.88
CC(OCC1CCCO1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129430	0	46	-1.0	-62.67	381.78	3.76	-58.91
CC1=CC=C(CCCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129431	0	50	-1.0	-56.01	416.16	8.25	-47.75
CC1=CC=C(C)C(OCCCCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129432	0	54	-1.0	-57.24	444.70	7.84	-49.40
CC1=CC=CC(OCCCCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129433	0	51	-1.0	-57.14	424.62	7.09	-50.05
O=C([O-])COCCOCCNC(=O)CN1CCN(C2=CC=CC=N2)CC1	REAL000000129434	0	51	-1.0	-59.23	412.07	2.94	-56.29
CN(C)C(C(=O)NCCOCCOCC(=O)[O-])C1=C(F)C=CC=C1Cl	REAL000000129435	0	46	-1.0	-54.25	395.10	5.99	-48.26
CC1=CSC(C2=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C2)=N1	REAL000000129436	0	44	-1.0	-58.71	391.97	6.02	-52.69
O=C([O-])COCCOCCNC(=O)C1=CC=CC(C2=CSC=N2)=C1	REAL000000129437	0	41	-1.0	-63.45	368.24	5.27	-58.18
O=C([O-])COCCOCCNC(=O)C1=CC2=C(C=CS2)S1	REAL000000129438	0	35	-1.0	-55.96	335.01	5.02	-50.94
O=C([O-])COCCOCCNC(=O)CCCC1=NC(C2=CC=CS2)=NO1	REAL000000129439	0	46	-1.0	-63.75	415.05	4.46	-59.29
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL000000129440	0	46	-1.0	-57.61	411.14	7.96	-49.64
CC(C)CS(=O)(=O)CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129441	0	46	-1.0	-60.57	392.19	2.27	-58.29
O=C([O-])COCCOCCNC(=O)CCS(=O)(=O)C1CCCC1	REAL000000129442	0	47	-1.0	-60.14	398.80	2.73	-57.41
O=C([O-])COCCOCCNC(=O)CS(=O)(=O)CCCC1=CC=CC=C1	REAL000000129443	0	50	-1.0	-72.78	436.24	4.72	-68.06
COCCS(=O)(=O)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129444	0	41	-1.0	-69.04	367.01	-0.80	-69.84
CC(C)CS(=O)(=O)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129445	0	43	-1.0	-69.75	370.09	1.71	-68.04
O=C([O-])COCCOCCNC(=O)CS(=O)(=O)C1CCCC1	REAL000000129446	0	44	-1.0	-69.50	376.69	2.16	-67.33
CCCS(=O)(=O)C1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129447	0	47	-1.0	-65.19	396.56	4.82	-60.36
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129448	0	47	-1.0	-60.20	394.25	4.66	-55.54
CC(C)S(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129449	0	47	-1.0	-60.03	405.20	3.57	-56.47
O=C([O-])COCCOCCNC(=O)CC1=CC=C(N2C=NN=N2)C=C1	REAL000000129450	0	43	-1.0	-61.33	378.64	5.39	-55.94
CNC(=O)C1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129451	0	46	-1.0	-61.50	396.67	4.02	-57.48
O=C([O-])COCCOCCNC(=O)C1=C(Cl)C2=C(Cl)C=CC=C2S1	REAL000000129452	0	38	-1.0	-58.80	369.01	6.78	-52.02
NS(=O)(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000129453	0	45	-1.0	-63.29	379.18	-1.38	-64.67
NC(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129454	0	39	-1.0	-67.16	340.23	1.33	-65.83
C=CCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129455	0	43	-1.0	-56.52	369.89	5.37	-51.15
C=CCOC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129456	0	43	-1.0	-60.88	367.82	6.61	-54.27
O=C([O-])COCCOCCNC(=O)CCC1=CC=C(OC(F)F)C=C1	REAL000000129457	0	45	-1.0	-58.51	391.01	5.59	-52.93
O=C([O-])COCCOCCNC(=O)C1=CC=C2C(=C1)NC(=O)N2C1CCCC1	REAL000000129458	0	52	-1.0	-60.79	423.70	5.98	-54.80
CS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129459	0	40	-1.0	-69.58	355.48	0.57	-69.01
O=C([O-])COCCOCCNC(=O)C1=CC=C2COCC2=C1	REAL000000129460	0	40	-1.0	-57.00	341.72	3.85	-53.15
O=C([O-])COCCOCCNC(=O)CC1=CC(Cl)=CC=C1Cl	REAL000000129461	0	38	-1.0	-56.20	361.32	6.16	-50.04
O=C([O-])COCCOCCNC(=O)CNC(=O)NCC1=CC=C([N+](=O)[O-])C=C1	REAL000000129462	0	49	-1.0	-59.93	433.48	3.08	-56.84
CC1CCCC(CC(=O)NCCOCCOCC(=O)[O-])C1	REAL000000129463	0	47	-1.0	-54.61	364.00	5.90	-48.72
CC(CC(=O)NCCOCCOCC(=O)[O-])C1CCCCC1	REAL000000129464	0	50	-1.0	-54.52	385.04	6.63	-47.89
CC1=NN(C2=CC=CC=C2)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129465	0	45	-1.0	-59.53	384.79	6.30	-53.23
O=C([O-])COCCOCCNC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=N1	REAL000000129466	0	41	-1.0	-56.19	379.75	4.75	-51.44
O=C([O-])COCCOCCNC(=O)C1=CN(C2=CC=CC=C2)N=N1	REAL000000129467	0	41	-1.0	-57.84	363.02	4.23	-53.61
O=C([O-])COCCOCCNC(=O)CCCC1=CC=C(Cl)C=C1	REAL000000129468	0	44	-1.0	-56.89	389.98	7.31	-49.58
O=C([O-])COCCOCCNC(=O)C1=CC=C(CN2CCCCC2=O)C=C1	REAL000000129469	0	52	-1.0	-63.36	426.14	6.92	-56.45
COCCN1C=C(C(=O)NCCOCCOCC(=O)[O-])C=CC1=O	REAL000000129470	0	45	-1.0	-58.18	384.98	3.38	-54.80
O=C([O-])COCCOCCNC(=O)COC1=CC=CC(NC(=O)C2CC2)=C1	REAL000000129471	0	50	-1.0	-62.98	426.45	5.62	-57.36
COCC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129472	0	42	-1.0	-56.33	353.61	4.48	-51.85
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1CC1=CC=CC=C1	REAL000000129473	0	51	-1.0	-58.04	425.53	7.21	-50.83
CCCC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1CC1=CC=CC=C1	REAL000000129474	0	54	-1.0	-58.03	447.08	7.99	-50.04
CCN1N=C(C(C)C)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129475	0	47	-1.0	-55.46	390.03	5.02	-50.44
O=C([O-])COCCOCCNC(=O)C1CC(=O)N(CC(F)(F)F)C1	REAL000000129476	0	42	-1.0	-58.57	372.27	3.51	-55.05
CC1=CC(C)=C(C(=O)CCCC(=O)NCCOCCOCC(=O)[O-])C(C)=C1	REAL000000129477	0	55	-1.0	-62.92	456.33	8.57	-54.36
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC=C2)CCOCC1	REAL000000129478	0	49	-1.0	-54.99	389.65	5.49	-49.50
CC1=CC(C(F)(F)F)=C2C=C(C(=O)NCCOCCOCC(=O)[O-])OC2=N1	REAL000000129479	0	43	-1.0	-56.79	392.66	3.52	-53.27
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CC=CC=C2F)S1	REAL000000129480	0	42	-1.0	-56.80	385.22	7.40	-49.40
CC(C(=O)NCCOCCOCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1	REAL000000129481	0	44	-1.0	-65.22	392.60	3.35	-61.86
COC1=CC=C2OCC(C(=O)NCCOCCOCC(=O)[O-])=CC2=C1	REAL000000129482	0	45	-1.0	-57.80	381.10	4.35	-53.45
COC1=CC=C2OCC(C(=O)NCCOCCOCC(=O)[O-])CC2=C1	REAL000000129483	0	47	-1.0	-57.02	389.82	4.36	-52.66
CC1=NC(C(F)(F)F)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129484	0	40	-1.0	-54.90	357.51	4.52	-50.39
O=C([O-])COCCOCCNC(=O)C1=CC=C(Br)C=C1Cl	REAL000000129485	0	35	-1.0	-55.35	339.54	5.68	-49.67
O=C([O-])COCCOCCNC(=O)C1CC(=O)N(C2=CC=CC=C2)C1	REAL000000129486	0	46	-1.0	-61.03	383.81	5.61	-55.42
O=C([O-])COCCOCCNC(=O)CC1C2=CC=CC=C2OC2=CC=CC=C21	REAL000000129487	0	50	-1.0	-61.83	410.82	9.28	-52.55
O=C([O-])COCCOCCNC(=O)C1=CC=C(Cl)C=C1Br	REAL000000129488	0	35	-1.0	-55.01	338.71	5.69	-49.32
O=C([O-])COCCOCCNC(=O)C1=C(F)C=C(Br)C=C1F	REAL000000129489	0	35	-1.0	-56.04	343.30	5.10	-50.94
O=C([O-])COCCOCCNC(=O)C1=C(F)C=CC=C1Br	REAL000000129490	0	35	-1.0	-58.97	335.79	4.96	-54.01
O=C([O-])COCCOCCNC(=O)C1=CC=C(Br)C(F)=C1	REAL000000129491	0	35	-1.0	-55.44	332.71	5.21	-50.22
O=C([O-])COCCOCCNC(=O)C1=NOC2=C1CCCC2	REAL000000129492	0	41	-1.0	-56.67	346.22	4.53	-52.14
O=C([O-])COCCOCCNC(=O)C1=CC=CC(C(F)(F)F)=C1F	REAL000000129493	0	38	-1.0	-61.89	348.16	5.61	-56.28
O=C([O-])COCCOCCNC(=O)C1=CC(F)=CC(Br)=C1	REAL000000129494	0	35	-1.0	-53.49	333.44	5.24	-48.26
O=C([O-])COCCOCCNC(=O)C1=CC(F)=CC(Cl)=C1	REAL000000129495	0	35	-1.0	-53.60	328.87	5.13	-48.47
O=C([O-])COCCOCCNC(=O)COC1=CC=C(C(F)(F)F)C=C1	REAL000000129496	0	42	-1.0	-58.42	377.99	6.12	-52.29
CC1=CC=CC=C1CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129497	0	44	-1.0	-55.29	367.12	6.49	-48.80
O=C([O-])COCCOCCNC(=O)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL000000129498	0	52	-1.0	-59.95	422.98	6.38	-53.57
O=C([O-])COCCOCCNC(=O)C1=CC=CC(F)=C1Cl	REAL000000129499	0	35	-1.0	-59.15	324.12	5.13	-54.02
O=C([O-])COCCOCCNC(=O)CC1=CC=CC(OC(F)F)=C1	REAL000000129500	0	42	-1.0	-60.22	369.62	4.79	-55.42
O=C([O-])COCCOCCNC(=O)CCC1=CC=C(Br)C=C1	REAL000000129501	0	41	-1.0	-54.56	373.05	6.64	-47.92
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1N1C=CC=N1	REAL000000129502	0	42	-1.0	-61.67	364.23	6.25	-55.42
COC1=CC=C(Cl)C=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129503	0	43	-1.0	-58.15	385.34	5.63	-52.52
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129504	0	48	-2.0	-112.09	416.50	3.32	-108.76
O=C([O-])COCCOCCNC(=O)C1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL000000129505	0	42	-1.0	-57.72	383.43	6.21	-51.51
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1	REAL000000129506	0	42	-1.0	-60.53	383.84	6.22	-54.31
O=C([O-])COCCOCCNC(=O)CCN1C=C(Br)C=N1	REAL000000129507	0	38	-1.0	-55.67	354.44	3.81	-51.85
CC(C)C1=C(C(=O)NCCOCCOCC(=O)[O-])SC=C1	REAL000000129508	0	41	-1.0	-55.54	354.51	5.51	-50.03
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])SC=C1	REAL000000129509	0	38	-1.0	-55.29	335.22	4.97	-50.32
COC1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C(OC)=C1OC	REAL000000129510	0	53	-1.0	-57.69	443.99	5.24	-52.45
O=C([O-])COCCOCCNC(=O)CCCOC1=CC=CC=C1F	REAL000000129511	0	45	-1.0	-62.23	387.95	5.71	-56.52
C[C@H](NC(=O)C1CCCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129512	0	51	-1.0	-54.23	410.05	4.16	-50.07
CC(C)C(=O)N1CCCCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129513	0	51	-1.0	-68.27	399.08	5.96	-62.30
O=C([O-])COCCOCCNC(=O)CCC(=O)N1CCC2=C(C=CS2)C1	REAL000000129514	0	49	-1.0	-56.39	418.27	5.84	-50.55
CNC(=O)COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL000000129515	0	50	-1.0	-68.79	424.86	3.20	-65.59
CC1=CC=C(C2=NOC(CCC(=O)NCCOCCOCC(=O)[O-])=N2)C=C1F	REAL000000129516	0	49	-1.0	-57.63	429.34	5.39	-52.24
CC1=CC(C2=NOC(CCC(=O)NCCOCCOCC(=O)[O-])=N2)=CC=C1F	REAL000000129517	0	49	-1.0	-55.86	429.34	5.39	-50.47
O=C([O-])COCCOCCNC(=O)CCN1C=C(Cl)C=N1	REAL000000129518	0	38	-1.0	-55.72	349.82	3.71	-52.01
CCOCCOC(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129519	0	45	-1.0	-61.14	380.18	3.52	-57.63
O=C([O-])COCCOCCNC(=O)C1=CC=CC(NC(=O)NC2CC2)=C1	REAL000000129520	0	48	-1.0	-69.97	408.28	3.83	-66.15
O=C([O-])COCCOCCNC(=O)CNC(=O)NC1CCCCC1	REAL000000129521	0	50	-1.0	-56.91	407.61	2.14	-54.77
CCCC(C)N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL000000129522	0	51	-1.0	-65.12	408.62	5.57	-59.55
O=C([O-])COCCOCCNC(=O)C1=CC=CN1CC1=CC=CS1	REAL000000129523	0	43	-1.0	-58.49	380.07	6.96	-51.53
CC1=NNC(C(=O)NCCOCCOCC(=O)[O-])=C1Br	REAL000000129524	0	35	-1.0	-55.25	328.16	2.22	-53.03
CCNC(=O)NC1(C(=O)NCCOCCOCC(=O)[O-])CCCC1	REAL000000129525	0	50	-1.0	-61.51	402.76	1.93	-59.57
O=C([O-])COCCOCCNC(=O)CC1=NNC2=CC=CC=C21	REAL000000129526	0	41	-1.0	-59.84	357.44	3.79	-56.05
O=C([O-])COCCOCCNC(=O)CC1=C2C=CC=CC2=NN1	REAL000000129526	1	41	-1.0	-61.63	357.25	3.77	-57.85
O=C([O-])COCCOCCNC(=O)CCN1CCOC1=O	REAL000000129527	0	40	-1.0	-66.50	346.65	2.36	-64.14
CC1=C2C=CC=CC2=NC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129528	0	43	-1.0	-58.69	367.12	5.53	-53.16
CN1C=CN=C1SCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000129529	0	46	-1.0	-58.31	416.26	6.22	-52.10
CN1C(=O)C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])N=C2N(C)C1=O	REAL000000129530	0	46	-1.0	-55.50	396.25	4.27	-51.23
CN(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000129531	0	42	-1.0	-57.51	353.85	4.44	-53.07
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=CC=N1	REAL000000129532	0	47	-1.0	-60.49	398.00	6.70	-53.79
CC(C)C1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=CC=N1	REAL000000129533	0	50	-1.0	-59.55	409.22	7.07	-52.48
CC(=O)NC1=NC(C(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000129534	0	38	-1.0	-59.44	349.60	1.62	-57.82
CC1=NN(C)C2=NC(C)=C(C(=O)NCCOCCOCC(=O)[O-])C=C12	REAL000000129535	0	46	-1.0	-57.79	388.43	4.96	-52.83
O=C([O-])COCCOCCNC(=O)CNC1=CC=CC(Cl)=C1	REAL000000129536	0	40	-1.0	-55.48	359.97	4.04	-51.44
O=C([O-])COCCOCCNC(=O)CNC1=CC=CC=C1Cl	REAL000000129537	0	40	-1.0	-56.93	357.63	4.12	-52.81
CC1=NC2=C(C(=O)NN2C)C(C)=C1CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129538	0	53	-1.0	-59.94	438.38	4.36	-55.58
O=C([O-])COCCOCCNC(=O)CCC1=CC=C(OC(F)(F)F)C=C1	REAL000000129539	0	45	-1.0	-55.29	397.75	5.81	-49.49
CCCN(CCC)C(=O)CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129540	0	53	-1.0	-56.45	432.50	5.99	-50.47
CCCNC(=O)CCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129541	0	47	-1.0	-65.72	394.44	2.96	-62.76
CCN1N=C(C(=O)NCCOCCOCC(=O)[O-])C=CC1=O	REAL000000129542	0	40	-1.0	-55.36	350.04	2.56	-52.79
COC1=CC=CC=C1CC(C)(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129543	0	51	-1.0	-56.50	406.24	6.45	-50.05
O=C([O-])COCCOCCNC(=O)CN1N=CN2N=CC=C2C1=O	REAL000000129544	0	40	-1.0	-66.81	358.65	3.42	-63.39
CC(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1C(F)(F)F	REAL000000129545	0	47	-1.0	-60.12	398.03	7.27	-52.85
O=C([O-])COCCOCCNC(=O)C1=CC2=C(C=CO2)S1	REAL000000129546	0	35	-1.0	-57.56	325.35	3.86	-53.70
CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129547	0	52	-1.0	-61.35	423.51	6.31	-55.03
CCOC1=C(F)C=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129548	0	42	-1.0	-59.31	362.96	6.16	-53.15
CCCCCC(C(=O)NCCOCCOCC(=O)[O-])C(C)C	REAL000000129549	0	52	-1.0	-54.17	404.96	7.32	-46.85
CC(C)OC1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129550	0	48	-1.0	-59.67	399.64	6.08	-53.59
CC1=NOC(Cl)=C1CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129551	0	40	-1.0	-54.08	364.51	4.62	-49.46
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2NC(=O)CCC2=O)C=C1	REAL000000129552	0	47	-1.0	-62.59	402.61	3.58	-59.01
CC(C)C1=NNC(C(=O)NCCOCCOCC(=O)[O-])=C1Br	REAL000000129553	0	41	-1.0	-55.11	369.58	3.52	-51.59
O=C([O-])COCCOCCNC(=O)C1=C(Br)C(C2CC2)=NN1	REAL000000129554	0	39	-1.0	-55.39	359.77	3.83	-51.57
CC1=NC([N+](=O)[O-])=CN1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129555	0	40	-1.0	-66.21	361.36	5.73	-60.48
O=C([O-])COCCOCCNC(=O)CC1=CSC(C2=COC=C2)=N1	REAL000000129556	0	41	-1.0	-60.89	377.11	4.19	-56.70
CC1=C2C(=O)[N-]C(=O)N=C2NC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129557	0	42	-2.0	-113.12	369.88	-1.71	-114.83
CC1=C2C(=O)[N-]C(=O)N=C2[N-]C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129557	1	41	-3.0	-184.23	367.83	-2.20	-186.43
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1CN1C=CC=N1	REAL000000129558	0	45	-1.0	-55.65	379.46	6.10	-49.55
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=NC2=C1C(=O)N(C)C(=O)N2C	REAL000000129559	0	49	-1.0	-55.01	412.50	4.89	-50.12
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1CN1CCOCC1	REAL000000129560	0	51	-1.0	-57.10	408.39	3.96	-53.13
COC1=CC=C(NC2=NC(C(=O)NCCOCCOCC(=O)[O-])=CS2)C=C1	REAL000000129561	0	47	-1.0	-57.00	414.12	4.33	-52.67
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129562	0	55	-1.0	-55.93	425.27	6.90	-49.03
O=C([O-])COCCOCCNC(=O)C1=CC(OCC2=CC=CC=C2)=CC=N1	REAL000000129563	0	48	-1.0	-59.28	414.44	6.11	-53.17
O=C([O-])COCCOCCNC(=O)C1CCCCN1CC1=CC=CC=C1	REAL000000129564	1	53	-1.0	-56.95	422.94	6.04	-50.90
CC(C)(C)C1=C(C(=O)NCCOCCOCC(=O)[O-])SC=N1	REAL000000129565	0	43	-1.0	-54.25	359.33	4.14	-50.11
CC1=NC(CC(C)C)=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000129566	0	46	-1.0	-54.82	384.34	4.89	-49.93
CC1=CC=C(C2=C(C(=O)NCCOCCOCC(=O)[O-])N=CO2)C=C1	REAL000000129567	0	44	-1.0	-58.65	382.59	3.60	-55.06
CCCC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000129568	0	40	-1.0	-55.90	357.07	3.97	-51.93
O=C([O-])COCCOCCNC(=O)C1=C(C2=CC=C3OCCOC3=C2)OC=N1	REAL000000129569	0	47	-1.0	-60.81	406.13	2.08	-58.73
O=C([O-])COCCOCCNC(=O)C(C1=CC=CC=C1F)N1CCOCC1	REAL000000129570	0	51	-1.0	-56.46	412.19	4.13	-52.33
CC(C)(C)C(=O)NC1=NC=CN=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129571	0	49	-1.0	-59.04	408.77	3.74	-55.30
CC(C)(C)C(=O)NC1=NC(CC(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000129572	0	50	-1.0	-61.75	428.91	4.40	-57.34
CC1=NN(C)C(C)=C1CC(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129573	0	50	-1.0	-58.41	404.73	5.13	-53.28
CCC(CC)C(C(=O)NCCOCCOCC(=O)[O-])N1CCOCC1	REAL000000129574	0	56	-1.0	-54.91	417.18	5.45	-49.46
O=C([O-])COCCOCCNC(=O)C1=CSC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL000000129575	0	43	-1.0	-58.50	401.17	6.03	-52.48
COC1=CC=C(C2=CC(C(=O)NCCOCCOCC(=O)[O-])=NO2)C(F)=C1	REAL000000129576	0	45	-1.0	-56.38	401.12	4.98	-51.39
O=C([O-])COCCOCCNC(=O)CCCOC1=CC=CC=C1Cl	REAL000000129577	0	45	-1.0	-60.54	397.75	6.19	-54.35
CCCC1=NNC(C(=O)NCCOCCOCC(=O)[O-])=C1[N+](=O)[O-]	REAL000000129578	0	43	-1.0	-59.55	382.35	3.97	-55.58
CS(=O)(=O)CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000129579	0	41	-1.0	-71.03	375.50	0.92	-70.12
CC1=CC=CC=C1C1(C(=O)NCCOCCOCC(=O)[O-])CCCCC1	REAL000000129580	0	54	-1.0	-55.51	407.35	8.18	-47.33
O=C([O-])COCCOCCNC(=O)C(OC1CCCC1)C1=CC=CC=C1	REAL000000129581	0	52	-1.0	-57.26	427.66	8.34	-48.93
CCC1=NC(C(=O)NCCOCCOCC(=O)[O-])=NN1C1=CC=CC=C1Cl	REAL000000129582	0	47	-1.0	-66.19	418.07	7.31	-58.88
CC1=NC(C(=O)NCCOCCOCC(=O)[O-])=NN1C1=CC=CC=C1C(C)C	REAL000000129583	0	53	-1.0	-63.44	439.91	8.29	-55.15
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL000000129584	0	44	-1.0	-55.47	392.90	7.15	-48.32
O=C([O-])COCCOCCNC(=O)CSCC(=O)C1=CC=CC=C1	REAL000000129585	0	44	-1.0	-65.85	394.84	6.46	-59.39
CCC1=NC(C)=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000129586	0	40	-1.0	-55.42	353.33	3.78	-51.63
O=C([O-])COCCOCCNC(=O)CCNC(=O)C1CCCCC1	REAL000000129587	0	51	-1.0	-63.40	412.62	3.94	-59.46
O=C([O-])COCCOCCNC(=O)CNC(=O)C1=NOC(C2=CC=CC=C2)=C1	REAL000000129588	0	48	-1.0	-58.45	423.34	4.05	-54.40
CS(=O)(=O)C1(C(=O)NCCOCCOCC(=O)[O-])CCCC1	REAL000000129589	0	44	-1.0	-54.36	367.26	1.79	-52.57
CC1=CC=C(CCC(=O)NCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129590	0	51	-1.0	-56.31	432.13	5.19	-51.12
O=C([O-])COCCOCCNC(=O)C1(C(=O)NC2CC2)CC1	REAL000000129591	0	43	-1.0	-55.37	371.43	2.75	-52.62
O=C([O-])COCCOCCNC(=O)C1=CSC(C2=CC=C(O)C=C2)=N1	REAL000000129592	0	42	-1.0	-57.85	383.98	2.50	-55.35
CCC(C)C(=O)N1CCCC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000129593	0	54	-1.0	-60.22	424.71	5.54	-54.67
O=C([O-])COCCOCCNC(=O)CSCC(=O)C1=CC=C(Cl)C=C1	REAL000000129594	0	44	-1.0	-64.79	411.55	6.97	-57.82
CC1=C([N+](=O)[O-])C(C)=C(C(=O)NCCOCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL000000129595	0	45	-1.0	-52.68	392.70	7.32	-45.36
O=C([O-])COCCOCCNC(=O)C1=C(C2CC2)N(C2=CC=C(F)C=C2)N=N1	REAL000000129596	0	48	-1.0	-56.46	413.76	6.04	-50.42
O=C([O-])COCCOCCNC(=O)C1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL000000129597	0	48	-1.0	-58.43	407.23	5.97	-52.47
CC(=CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1Cl	REAL000000129598	0	42	-1.0	-56.16	375.41	6.98	-49.18
COC1=CC=CC=C1C(C)=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129599	0	46	-1.0	-57.34	389.31	5.91	-51.43
O=C([O-])COCCOCCNC(=O)CNC(=O)NCC1=CC=C(Cl)C=C1	REAL000000129600	0	47	-1.0	-56.44	422.00	2.93	-53.52
CC1=C(CC(=O)NCCOCCOCC(=O)[O-])C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL000000129601	0	47	-2.0	-121.13	415.28	1.89	-119.23
CC1=C(CC(=O)NCCOCCOCC(=O)[O-])C(=O)NC(C2=NC=CC=N2)=N1	REAL000000129601	1	48	-1.0	-66.72	417.66	3.07	-63.65
CC(C)CCC(=O)NCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129602	0	47	-1.0	-55.63	389.87	2.82	-52.81
CC1CC(CC(=O)NCCOCCOCC(=O)[O-])CC(C)(C)C1	REAL000000129603	0	53	-1.0	-54.31	402.33	6.93	-47.38
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129604	0	45	-1.0	-63.17	394.19	6.77	-56.41
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129605	0	42	-1.0	-56.63	389.37	6.79	-49.84
COC1=CC=C(CCCCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129606	0	54	-1.0	-58.48	445.75	7.68	-50.80
CC(C)C(C(=O)NCCOCCOCC(=O)[O-])S(=O)(=O)C1CCCCC1	REAL000000129607	0	56	-1.0	-58.45	439.72	5.69	-52.77
CCSC(C(=O)NCCOCCOCC(=O)[O-])C(C)C	REAL000000129608	0	44	-1.0	-56.45	365.34	5.78	-50.67
CC(C)C(SCC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129609	0	51	-1.0	-56.75	429.09	9.02	-47.72
CCCCSC(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129610	0	44	-1.0	-56.29	376.31	5.73	-50.55
CC1=C(CC(=O)NCCOCCOCC(=O)[O-])N=NN1C1=CC=CC=C1	REAL000000129611	0	47	-1.0	-62.59	400.42	5.39	-57.19
CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=NN1C1=CC=CC(Cl)=C1	REAL000000129612	0	44	-1.0	-57.30	396.34	5.25	-52.05
CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=NN1C1=CC=CC=C1	REAL000000129613	0	44	-1.0	-58.32	378.06	4.70	-53.62
CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=NN1C1=CC=C(C)C=C1	REAL000000129614	0	47	-1.0	-57.30	401.01	5.40	-51.90
CC(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1Br	REAL000000129615	0	44	-1.0	-55.11	382.87	6.96	-48.15
O=C([O-])COCCOCCNC(=O)C1=CC(Br)=C2OCOC2=C1	REAL000000129616	0	38	-1.0	-55.97	353.06	3.85	-52.12
CC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])S1	REAL000000129617	0	38	-1.0	-56.28	342.47	5.15	-51.13
NC(=O)C1=CC=CC(OCCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129618	0	46	-1.0	-61.93	394.75	1.66	-60.27
O=C([O-])COCCOCCNC(=O)C1CCCCN1C(=O)C1=CC=CO1	REAL000000129619	0	49	-1.0	-69.78	398.60	5.87	-63.91
O=C([O-])COCCOCCNC(=O)C(C1=CC=CC=C1)N1C=CC=N1	REAL000000129620	0	45	-1.0	-55.34	386.53	5.69	-49.65
COC1=CC=CC(Cl)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129621	0	39	-1.0	-61.51	354.44	4.19	-57.32
O=C([O-])COCCOCCNC(=O)C1=NN2C=C(Br)C=NC2=N1	REAL000000129622	0	36	-1.0	-60.55	347.98	5.29	-55.26
CC1=C(C)C2=C(N=C(CCC(=O)NCCOCCOCC(=O)[O-])NC2=O)S1	REAL000000129623	0	49	-1.0	-59.22	424.23	4.97	-54.26
CC1=NN(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1[N+](=O)[O-]	REAL000000129624	0	40	-1.0	-53.83	363.86	3.53	-50.29
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C2=NNC=N2)=N1	REAL000000129625	0	40	-1.0	-61.86	366.58	3.15	-58.71
O=C([O-])COCCOCCNC(=O)C1=CSC(C2=CN=CC=N2)=N1	REAL000000129626	0	39	-1.0	-60.51	363.32	1.62	-58.88
CCN(CC)C(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000129627	1	52	-1.0	-55.39	411.27	5.49	-49.89
O=C([O-])COCCOCCNC(=O)C1=CC=C(CSC2=NNC=N2)C=C1	REAL000000129628	0	45	-1.0	-62.86	405.49	6.62	-56.24
CC1=C(CCC(=O)NCCOCCOCC(=O)[O-])C(C)=C2C(=O)N(C)N=C2N1	REAL000000129629	0	53	-1.0	-69.99	436.40	5.08	-64.91
O=C([O-])COCCOCCNC(=O)C1=CC=C(Cl)C=N1	REAL000000129630	0	34	-1.0	-53.95	319.70	3.32	-50.63
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2=CC=CO2)S1	REAL000000129631	0	38	-1.0	-57.05	355.92	3.56	-53.48
CC1=CC=C2OC(C(=O)NCCOCCOCC(=O)[O-])=CC2=N1	REAL000000129632	0	40	-1.0	-58.41	353.42	3.74	-54.67
CC1=C(C2=CC=CC=C2)OC(CCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000129633	0	50	-1.0	-58.30	428.37	5.12	-53.18
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2CCCCCC2)N=C1	REAL000000129634	0	52	-1.0	-56.02	407.52	5.67	-50.35
O=C([O-])COCCOCCNC(=O)CCCC1=CC=CC=N1	REAL000000129635	0	43	-1.0	-59.86	367.44	5.02	-54.85
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2CC2)S1	REAL000000129636	0	38	-1.0	-56.41	345.28	4.10	-52.30
O=C([O-])COCCOCCNC(=O)CC1=COC(C2=CC=CS2)=N1	REAL000000129637	0	41	-1.0	-63.37	377.19	2.77	-60.60
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2CCCC2)C(F)=C1	REAL000000129638	0	47	-1.0	-58.41	385.96	4.96	-53.45
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2CCOCC2)C(F)=C1	REAL000000129639	0	48	-1.0	-55.77	392.67	3.38	-52.39
O=C([O-])COCCOCCNC(=O)C1=CC(F)=CC=C1N1CCOCC1	REAL000000129640	0	48	-1.0	-55.88	397.46	4.80	-51.08
CC(C(=O)NCCOCCOCC(=O)[O-])N1CCC(CC2=CC=CC=C2)CC1	REAL000000129641	1	59	-1.0	-55.93	462.38	7.33	-48.61
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC2=CC=C(F)C=C2F)C=C1	REAL000000129642	0	46	-1.0	-56.70	408.35	7.60	-49.10
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1	REAL000000129643	0	46	-1.0	-56.41	407.06	7.53	-48.88
COCCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129644	0	46	-1.0	-58.20	390.61	4.07	-54.13
O=C([O-])COCCOCCNC(=O)CCC1CCCCO1	REAL000000129645	0	45	-1.0	-56.49	366.36	4.16	-52.33
CC(CSC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129646	0	45	-1.0	-55.59	387.96	7.09	-48.50
CC1=CC=C(C2(C(=O)NCCOCCOCC(=O)[O-])CCOCC2)C=C1	REAL000000129647	0	52	-1.0	-57.46	411.80	6.17	-51.28
O=C([O-])COCCOCCNC(=O)C1=CC2=CC(F)=CC=C2O1	REAL000000129648	0	38	-1.0	-54.44	343.45	4.99	-49.45
O=C([O-])COCCOCCNC(=O)C1=CC(=O)NC2=CC=C([N+](=O)[O-])C=C21	REAL000000129649	0	43	-1.0	-62.60	380.62	4.28	-58.32
O=C([O-])COCCOCCNC(=O)C1CC2=CC(F)=CC=C2O1	REAL000000129650	0	40	-1.0	-59.38	351.07	5.48	-53.90
O=C([O-])COCCOCCNC(=O)C=CC1CCOCC1	REAL000000129651	0	43	-1.0	-56.28	358.39	3.75	-52.53
CCC(CC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129652	0	47	-1.0	-55.46	387.99	7.06	-48.39
CCC(SC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129653	0	45	-1.0	-56.52	386.81	6.84	-49.68
CCC(OC1CCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129654	0	48	-1.0	-58.37	383.63	5.96	-52.41
O=C([O-])COCCOCCNC(=O)C1=N[N-]C2=CC=CC=C2C1=O	REAL000000129655	0	39	-2.0	-108.54	349.73	4.31	-104.23
O=C([O-])COCCOCCNC(=O)C1=NN=C2C=CC=CC2=C1O	REAL000000129655	1	40	-1.0	-61.07	352.46	2.39	-58.68
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=CC=C2)=CC=C1Cl	REAL000000129656	0	45	-1.0	-57.75	392.40	8.50	-49.25
O=C([O-])COCCOCCNC(=O)CC1=CC=C([N+](=O)[O-])C=C1Cl	REAL000000129657	0	40	-1.0	-60.04	372.81	6.32	-53.73
CC1=NN(CCCl)C(C)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129658	0	44	-1.0	-55.46	392.13	4.75	-50.70
CS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000129659	0	38	-1.0	-60.92	353.25	0.15	-60.76
CCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C	REAL000000129660	0	45	-1.0	-56.92	377.04	5.56	-51.36
CCN(CC)S(=O)(=O)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129661	0	45	-1.0	-65.89	387.16	1.28	-64.61
O=C([O-])COCCOCCNC(=O)CC1=NOC(C2=CC=CC=C2)=C1	REAL000000129662	0	44	-1.0	-61.70	384.54	6.34	-55.36
CC1=CC=C(NC2=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C2)N=N1	REAL000000129663	0	48	-1.0	-61.54	409.29	6.05	-55.49
CC1CCCC(OCC(=O)NCCOCCOCC(=O)[O-])C1	REAL000000129664	0	48	-1.0	-58.34	385.58	5.95	-52.39
O=C([O-])COCCOCCNC(=O)C1=CC=NC(C2CC2)=N1	REAL000000129665	0	40	-1.0	-55.38	350.36	4.28	-51.11
CC1=NOC(COCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000129666	0	40	-1.0	-64.57	356.41	1.21	-63.36
CC1CCCCC1OCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129667	0	48	-1.0	-58.14	384.52	6.01	-52.13
O=C([O-])COCCOCCNC(=O)COC1CCOCC1	REAL000000129668	0	43	-1.0	-59.88	358.01	2.86	-57.02
O=C([O-])COCCOCCNC(=O)C1CCS(=O)(=O)CC1	REAL000000129669	0	41	-1.0	-62.89	349.66	0.89	-62.01
CN1C(=O)CCC(C(=O)NCCOCCOCC(=O)[O-])C1C1=CC=CC=C1	REAL000000129670	0	52	-1.0	-63.98	404.40	6.01	-57.98
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)N(C)C1=O	REAL000000129671	0	41	-1.0	-58.70	352.44	3.07	-55.62
CC(C)(C(=O)NCCOCCOCC(=O)[O-])S(C)(=O)=O	REAL000000129672	0	40	-1.0	-71.04	343.10	0.42	-70.61
COCCNS(=O)(=O)C1=CNC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129673	0	48	-1.0	-65.12	426.07	-1.62	-66.74
CC(C)NS(=O)(=O)C1=CNC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129674	0	47	-1.0	-62.84	409.94	-0.18	-63.03
CC(C)(C)C(=O)NCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129675	0	54	-1.0	-58.63	446.65	5.61	-53.02
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1NC(=O)CC(C)C	REAL000000129676	0	54	-1.0	-61.77	438.97	6.54	-55.22
CCC1=CC=C(C(=O)N2CCC(C(=O)NCCOCCOCC(=O)[O-])CC2)O1	REAL000000129677	0	55	-1.0	-62.13	447.31	6.34	-55.78
NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000129678	0	44	-1.0	-59.95	405.66	-4.22	-64.18
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000129678	1	43	-2.0	-106.01	404.45	-4.61	-110.62
CC(C)CNC(=O)N1CCCC(CC(=O)NCCOCCOCC(=O)[O-])C1	REAL000000129679	0	59	-1.0	-59.57	461.69	5.58	-53.99
CC(C)C(=O)N(C)CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129680	0	54	-1.0	-63.71	441.20	6.93	-56.78
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1NC(=O)NC(C)(C)C	REAL000000129681	0	56	-1.0	-67.56	450.73	5.08	-62.48
CCN1N=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000129682	0	44	-1.0	-56.46	374.98	4.15	-52.31
O=C([O-])COCCOCCNC(=O)C1CCC2(CC1)NC(=O)NC2=O	REAL000000129683	0	47	-1.0	-61.77	381.65	-0.12	-61.88
O=C([O-])COCCOCCNC(=O)[C@H]1COCC(=O)N1CC1=CC=CC=C1	REAL000000129684	0	50	-1.0	-59.00	415.40	4.30	-54.70
O=C([O-])COCCOCCNC(=O)C(C1=CC=CC=C1)N1CCCCC1=O	REAL000000129685	0	52	-1.0	-57.23	419.20	7.15	-50.09
CC(C)CC(=O)NC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000129686	0	54	-1.0	-55.86	446.45	6.18	-49.68
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL000000129687	0	47	-1.0	-56.36	400.05	7.18	-49.18
O=C([O-])COCCOCCNC(=O)CCC1=CC=CC(OC2CCCC2)=C1	REAL000000129688	0	55	-1.0	-55.84	445.85	8.23	-47.62
CC(C)OC1=CC=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129689	0	49	-1.0	-57.93	409.51	6.60	-51.33
O=C([O-])COCCOCCNC(=O)CSCC1CCCCO1	REAL000000129690	0	46	-1.0	-58.66	389.57	4.74	-53.92
CC(C)(C)C1=CC=C(CCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129691	0	56	-1.0	-56.94	449.45	9.14	-47.80
O=C([O-])COCCOCCNC(=O)C1CCC2=CC=CC=C21	REAL000000129692	0	42	-1.0	-54.77	351.26	6.32	-48.45
NS(=O)(=O)C1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129693	0	43	-1.0	-64.43	384.53	0.18	-64.25
CNC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(Cl)=N1	REAL000000129694	0	39	-1.0	-54.96	352.79	2.86	-52.10
O=C([O-])COCCOCCNC(=O)C1CCCN1C(=O)OCC(F)(F)F	REAL000000129695	0	46	-1.0	-59.69	406.24	4.24	-55.45
O=C([O-])COCCOCCNC(=O)C1CCCCN1C(=O)C1=CC=CS1	REAL000000129696	0	49	-1.0	-63.70	408.16	6.62	-57.08
CC1=CC=CC=C1OCCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129697	0	48	-1.0	-58.73	401.80	6.38	-52.35
CC1=NOC(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)=N1	REAL000000129698	0	43	-1.0	-57.00	378.09	3.89	-53.10
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1NC(=O)C1=CC=CS1	REAL000000129699	0	46	-1.0	-58.59	404.24	6.01	-52.58
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC(Cl)=C2)CCC1	REAL000000129700	0	45	-1.0	-54.89	390.94	7.34	-47.55
O=C([O-])COCCOCCNC(=O)C1(C2=CC=C(F)C=C2)CCC1	REAL000000129701	0	45	-1.0	-57.81	380.59	6.89	-50.92
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC(F)=C2)CCC1	REAL000000129702	0	45	-1.0	-55.18	380.62	6.89	-48.29
CC1=CC=CC(C2(C(=O)NCCOCCOCC(=O)[O-])CCC2)=C1	REAL000000129703	0	48	-1.0	-57.24	395.62	7.49	-49.75
O=C([O-])COCCOCCNC(=O)C1=CC(=O)NC2=CC(F)=CC=C21	REAL000000129704	0	41	-1.0	-55.26	358.64	3.66	-51.60
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CC1=CC=C(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(F)=C2)C=C1	REAL000000129725	0	48	-1.0	-60.58	405.75	8.73	-51.85
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CC1=CC(C)=C(C)C(OCCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129728	0	51	-1.0	-56.64	419.39	6.86	-49.78
CC(OC1CCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129729	0	45	-1.0	-58.43	365.71	5.27	-53.16
CC(CC1CCCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129730	0	50	-1.0	-54.94	388.29	6.74	-48.21
CCCC(CC1CCCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129731	0	56	-1.0	-55.51	430.87	8.08	-47.42
CC(C)C(CC1CCCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129732	0	56	-1.0	-56.38	423.13	7.76	-48.62
CC(CC1CCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129733	0	47	-1.0	-54.87	371.70	6.23	-48.64
CCC(CC1CCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129734	0	50	-1.0	-55.68	380.40	6.36	-49.33
CC(C)C(=O)NC1=CC=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129735	0	48	-1.0	-61.38	414.27	5.45	-55.93
CC(C)=CC(=O)NCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129736	0	52	-1.0	-58.57	437.59	5.65	-52.92
CCS(=O)(=O)NCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129737	0	49	-1.0	-65.57	427.12	2.25	-63.32
CC(C)C1=CC=C(N2CCC(C(=O)NCCOCCOCC(=O)[O-])C2=O)C=C1	REAL000000129738	0	55	-1.0	-57.30	443.05	7.61	-49.69
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCOCCOCC(=O)[O-])=N2)C=C1	REAL000000129739	0	51	-2.0	-122.04	434.12	5.72	-116.32
CC(C)CNC(=O)N1CCCC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000129740	0	56	-1.0	-59.11	443.16	4.87	-54.24
CCCNC(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129741	0	48	-1.0	-66.74	405.15	4.45	-62.29
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129742	0	52	-1.0	-64.32	450.02	-1.35	-65.67
CC(C)CC(=O)NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1F	REAL000000129743	0	51	-1.0	-57.85	426.12	5.76	-52.09
O=C([O-])COCCOCCNC(=O)C1(CC2=CC=CC(Cl)=C2)CCCC1	REAL000000129744	0	51	-1.0	-57.98	423.72	8.66	-49.32
CC(C)(NS(C)(=O)=O)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129745	0	42	-1.0	-58.35	349.02	0.05	-58.30
COCCCOC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129746	0	49	-1.0	-60.81	412.24	4.66	-56.15
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CC(CSC(F)(F)F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129748	0	38	-1.0	-53.46	352.22	4.66	-48.80
CC1=CC=CC=C1NCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129749	0	46	-1.0	-56.86	383.19	4.96	-51.90
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CC1=NC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C2N1C1=CC=CC=C1	REAL000000129751	0	51	-1.0	-62.93	434.47	9.10	-53.83
CC1=NC(C2=CC=C(C)C=C2)=C(CC(=O)NCCOCCOCC(=O)[O-])S1	REAL000000129752	0	50	-1.0	-59.31	429.66	7.01	-52.31
O=C([O-])COCCOCCNC(=O)CC1=CSC(C2=CC=CC=C2)=N1	REAL000000129753	0	44	-1.0	-60.93	394.03	6.19	-54.74
CC1=CC=C(C2=CC(C(=O)NCCOCCOCC(=O)[O-])=C3C=CC=CC3=N2)O1	REAL000000129754	0	50	-1.0	-58.67	426.13	7.53	-51.14
O=C([O-])COCCOCCNC(=O)C1=C(Cl)N=C2C=CC=CN21	REAL000000129755	0	38	-1.0	-57.68	353.08	5.21	-52.46
CC1=CC=C2N=C(C)C=C(C(=O)NCCOCCOCC(=O)[O-])C2=C1	REAL000000129756	0	46	-1.0	-58.24	384.88	6.19	-52.04
O=C([O-])COCCOCCNC(=O)C1=CNC=C1C1=CC=CC=C1	REAL000000129757	0	43	-1.0	-62.54	369.55	6.07	-56.47
CCOC1=CC=CC2=C1OCC(C(=O)NCCOCCOCC(=O)[O-])=C2	REAL000000129758	0	48	-1.0	-58.87	402.72	5.84	-53.03
O=C([O-])COCCOCCNC(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL000000129759	0	45	-1.0	-62.73	388.71	6.41	-56.32
CC1=CC(C)=NN1C1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129760	0	51	-1.0	-64.13	429.49	7.42	-56.71
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CC1=NN(C)C(C)=C1C1=NNC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129762	0	48	-1.0	-60.11	412.22	3.43	-56.69
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CC=CC=C2)NC1=O	REAL000000129763	0	45	-1.0	-62.43	382.24	5.32	-57.11
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=C(Br)N1	REAL000000129764	0	33	-1.0	-53.63	331.17	3.33	-50.30
CC1=CC=C(C2=NNC(C(=O)NCCOCCOCC(=O)[O-])=C2)O1	REAL000000129765	0	42	-1.0	-58.23	372.20	3.54	-54.69
O=C([O-])COCCOCCNC(=O)C1=CC2=C(CCC2)NC1=O	REAL000000129766	0	42	-1.0	-63.89	353.58	3.60	-60.29
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC(C(F)(F)F)=C2)CC1	REAL000000129767	0	45	-1.0	-63.60	396.71	7.29	-56.31
CCCCCCC(C)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129768	0	52	-1.0	-54.46	412.79	7.39	-47.07
O=C([O-])COCCOCCNC(=O)C1=CC=C(CNC(=O)C2CCCC2)C=C1	REAL000000129769	0	55	-1.0	-58.63	451.99	6.26	-52.37
CC(=O)NC(CC(=O)NCCOCCOCC(=O)[O-])C1=C(F)C=CC=C1F	REAL000000129770	0	48	-1.0	-57.15	407.27	5.20	-51.95
CC1=CC=CC=C1C1=NC(C(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000129771	0	44	-1.0	-56.48	393.00	6.09	-50.38
CC(C)C(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000129772	0	50	-1.0	-55.97	402.87	7.54	-48.43
COC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL000000129773	0	44	-1.0	-61.25	385.88	5.98	-55.28
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C2OCCOC2=C1	REAL000000129774	0	47	-1.0	-59.06	390.75	4.93	-54.13
O=C([O-])COCCOCCNC(=O)COC1=CC=CC=C1OCC(F)(F)F	REAL000000129775	0	46	-1.0	-65.72	409.94	6.26	-59.46
CCCCCS(=O)(=O)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129776	0	46	-1.0	-70.33	397.83	2.50	-67.83
CCC(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000129777	0	47	-1.0	-55.23	385.56	7.10	-48.13
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1CC1CC1	REAL000000129778	0	49	-1.0	-58.52	404.02	7.56	-50.96
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2C=CC=N2)C(F)=C1	REAL000000129779	0	42	-1.0	-56.88	367.36	5.72	-51.16
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(N)C([N+](=O)[O-])=C1	REAL000000129780	0	42	-1.0	-56.40	361.51	4.30	-52.11
O=C([O-])COCCOCCNC(=O)C1=COC(C2=CC=CC=C2)=N1	REAL000000129781	0	41	-1.0	-56.75	365.92	2.99	-53.76
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129782	0	55	-1.0	-53.94	431.39	2.72	-51.22
CC(=O)NCC(=O)N1CCCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129783	0	49	-1.0	-63.55	410.14	2.32	-61.23
COCC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129784	0	42	-1.0	-58.94	360.80	4.27	-54.68
CC1=CC=C(C2N=NC(=S)N2CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129785	0	48	-1.0	-57.30	429.63	5.84	-51.46
COC1=CC=C(NC(=O)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129786	0	43	-1.0	-54.77	372.69	2.11	-52.66
O=C([O-])COCCOCCNC(=O)C(=O)NC1=CC=C(Cl)C=C1	REAL000000129787	0	39	-1.0	-52.97	359.92	3.32	-49.65
O=C([O-])COCCOCCNC(=O)CC1=CC=C(OC(F)F)C=C1	REAL000000129788	0	42	-1.0	-59.40	369.61	4.79	-54.60
O=C([O-])COCCOCCNC(=O)CN1CCSC1=O	REAL000000129789	0	37	-1.0	-68.25	334.23	2.57	-65.68
O=C([O-])COCCOCCNC(=O)C1=C(Cl)C2=C(SC=C2)S1	REAL000000129790	0	35	-1.0	-56.00	348.74	5.52	-50.48
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC2=CC=CC(F)=C12	REAL000000129791	0	41	-1.0	-57.27	363.26	6.57	-50.70
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1Br	REAL000000129792	0	39	-1.0	-57.90	355.53	4.54	-53.35
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)S1	REAL000000129793	0	38	-1.0	-55.46	337.00	5.07	-50.39
CN1CC(=O)N(CCCC(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000129794	0	46	-1.0	-65.10	395.66	3.36	-61.74
O=C([O-])COCCOCCNC(=O)CN1C=NC2=C(OC3=CC=CC=C32)C1=O	REAL000000129795	0	46	-1.0	-68.89	403.79	6.22	-62.67
O=C([O-])COCCOCCNC(=O)CCN1C(=O)COC2=CC=CC=C21	REAL000000129796	0	47	-1.0	-61.19	397.87	4.46	-56.72
NC(=O)NCCCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129797	0	43	-1.0	-64.24	367.07	-0.63	-64.88
O=C([O-])COCCOCCNC(=O)C1=CC(F)=C(Cl)C=C1Cl	REAL000000129798	0	35	-1.0	-53.25	340.81	5.63	-47.61
CON(C)S(=O)(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129799	0	47	-1.0	-63.67	413.84	2.73	-60.94
O=C([O-])COCCOCCNC(=O)C=CC1=CC(Cl)=C2OCCCOC2=C1	REAL000000129800	0	48	-1.0	-58.17	419.08	6.22	-51.95
CCC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129801	0	45	-1.0	-56.16	383.15	7.16	-49.00
CC1=CC=C([N+](=O)[O-])C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129802	0	40	-1.0	-69.17	353.85	6.56	-62.61
CCCCCCCCCCCCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129803	0	64	-1.0	-54.84	506.82	10.85	-43.99
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COC1=CC(Cl)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129805	0	39	-1.0	-58.10	349.77	5.64	-52.46
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL000000129806	0	41	-1.0	-57.74	361.18	5.32	-52.42
COC1=CC=C2C(CC(=O)NCCOCCOCC(=O)[O-])=CC(=O)OC2=C1	REAL000000129807	0	47	-1.0	-66.85	404.50	5.93	-60.92
O=C([O-])COCCOCCNC(=O)CC1=CC=CC=C1C(F)(F)F	REAL000000129808	0	41	-1.0	-60.08	359.38	5.90	-54.18
COC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000129809	0	42	-1.0	-57.58	362.16	5.40	-52.18
O=C([O-])COCCOCCNC(=O)C1=CC=CC(Cl)=C1[N+](=O)[O-]	REAL000000129810	0	37	-1.0	-67.76	348.94	6.92	-60.84
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O=C([O-])COCCOCCNC(=O)CC1=CC(F)=CC=C1F	REAL000000129812	0	38	-1.0	-57.71	342.22	5.33	-52.38
O=C([O-])COCCOCCNC(=O)CC1=CC=C(F)C(F)=C1	REAL000000129813	0	38	-1.0	-59.15	343.06	5.36	-53.79
O=C([O-])COCCOCCNC(=O)C1=CC=CC(F)=C1F	REAL000000129814	0	35	-1.0	-62.14	316.58	4.69	-57.45
O=C([O-])COCCOCCNC(=O)CC1=C(F)C=CC=C1F	REAL000000129815	0	38	-1.0	-58.26	340.99	5.30	-52.96
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1Br	REAL000000129816	0	38	-1.0	-54.75	345.18	5.74	-49.01
O=C([O-])COCCOCCNC(=O)CC1=CC=CC(Br)=C1	REAL000000129817	0	38	-1.0	-57.38	351.65	5.83	-51.54
O=C([O-])COCCOCCNC(=O)C1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL000000129818	0	41	-1.0	-55.33	381.09	6.07	-49.25
COC1=C2OC(C(=O)NCCOCCOCC(=O)[O-])=CC2=CC=C1	REAL000000129819	0	42	-1.0	-58.60	366.47	4.23	-54.37
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CC1CCC(CC(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000129821	0	47	-1.0	-54.86	371.03	6.12	-48.74
O=C([O-])COCCOCCNC(=O)C1=NOC(C2=CC=CC=C2Cl)=C1	REAL000000129822	0	41	-1.0	-57.38	380.94	6.07	-51.31
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COC1=CC=C([N+](=O)[O-])C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129824	0	41	-1.0	-61.86	361.89	5.19	-56.67
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CC(CC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129826	0	44	-1.0	-55.16	367.11	6.50	-48.66
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CCCCCCOCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129829	0	47	-1.0	-57.98	390.91	5.73	-52.24
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COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(OC)=C1OC(F)F	REAL000000129838	0	47	-1.0	-59.82	407.24	4.13	-55.69
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CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(Cl)S1	REAL000000129842	0	38	-1.0	-56.92	355.29	5.59	-51.34
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CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC2=CC=CC=C2O1	REAL000000129844	0	44	-1.0	-61.13	377.26	6.83	-54.30
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CC1=CC=C(OCCCC(=O)NCCOCCOCC(=O)[O-])C=C1C	REAL000000129847	0	51	-1.0	-59.20	420.12	6.84	-52.36
CNS(=O)(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1F	REAL000000129848	0	43	-1.0	-62.13	380.01	0.52	-61.61
O=C([O-])COCCOCCNC(=O)CNC(=O)C1=CC=CC=C1C(F)(F)F	REAL000000129849	0	45	-1.0	-59.63	394.86	4.08	-55.55
O=C([O-])COCCOCCNC(=O)C=CC1=NC2=CC=CC=C2S1	REAL000000129852	0	41	-1.0	-57.65	375.19	5.44	-52.21
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C2C=CC=CC2=N1	REAL000000129853	0	44	-1.0	-59.08	384.05	6.35	-52.74
CC1=NC(CC(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000129854	0	37	-1.0	-59.03	335.79	3.11	-55.93
CC1=C(CC(=O)NCCOCCOCC(=O)[O-])C(C)=C2C=CC=CC2=N1	REAL000000129855	0	49	-1.0	-62.89	402.27	6.48	-56.41
CCC1=C(CC)N=C2C=C(C(=O)NCCOCCOCC(=O)[O-])C=CC2=N1	REAL000000129856	0	51	-1.0	-60.72	421.29	5.47	-55.25
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL000000129857	0	44	-1.0	-59.88	403.73	5.83	-54.05
CC1=NC(C)=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000129858	0	37	-1.0	-55.74	331.85	3.03	-52.71
CN(C)C1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129859	0	47	-1.0	-57.78	392.47	6.16	-51.62
NC(=O)C1=NC=CN=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129860	0	37	-1.0	-68.54	332.42	-1.23	-69.77
O=C([O-])COCCOCCNC(=O)C1CCN(C2=NC3=CC=CC=C3O2)CC1	REAL000000129861	0	52	-1.0	-62.14	427.59	3.43	-58.71
CC1=CC=CC2=NC(C(=O)NCCOCCOCC(=O)[O-])=CN21	REAL000000129862	0	41	-1.0	-60.96	356.77	5.52	-55.44
O=C([O-])COCCOCCNC(=O)CC1=CSC(C2=CC=CC(F)=C2)=N1	REAL000000129863	0	44	-1.0	-61.87	400.44	6.26	-55.61
O=C([O-])COCCOCCNC(=O)CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL000000129864	0	44	-1.0	-58.85	410.73	6.71	-52.15
O=C([O-])COCCOCCNC(=O)CC1=CSC(C2=CC=CC=N2)=N1	REAL000000129865	0	43	-1.0	-65.98	389.42	4.30	-61.68
O=C([O-])COCCOCCNC(=O)CCC1=NC2=CC=CC=C2O1	REAL000000129866	0	43	-1.0	-58.78	374.08	3.01	-55.77
O=C([O-])COCCOCCNC(=O)C1=CN=CN1C1=CC=C(F)C=C1	REAL000000129867	0	42	-1.0	-56.48	370.20	7.04	-49.43
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CC2=NC(C2CC2)=C1	REAL000000129868	0	47	-1.0	-57.36	391.59	6.95	-50.41
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(N2C=CN=C2)C=C1	REAL000000129869	0	46	-1.0	-59.80	396.07	8.13	-51.68
O=C([O-])COCCOCCNC(=O)C1=C2N=CC=CC2=CC=C1	REAL000000129870	0	40	-1.0	-65.75	344.83	5.35	-60.41
O=C([O-])COCCOCCNC(=O)CC1=CSC(NC(=O)C2=CC=CO2)=N1	REAL000000129871	0	45	-1.0	-63.32	410.06	3.47	-59.85
O=C([O-])COCCOCCNC(=O)C1=CN=CN1C1=CC=CC=C1	REAL000000129872	0	42	-1.0	-58.20	358.57	7.12	-51.08
O=C([O-])COCCOCCNC(=O)C=CC1=NC2=CC=CC=C2O1	REAL000000129873	0	41	-1.0	-59.67	365.52	2.81	-56.86
O=C([O-])COCCOCCNC(=O)CCCCC1=NC2=CC=CC=C2S1	REAL000000129874	0	49	-1.0	-59.04	426.42	7.01	-52.02
O=C([O-])COCCOCCNC(=O)C1=CN=C2C=CC=CC2=N1	REAL000000129875	0	39	-1.0	-57.51	344.25	3.01	-54.50
O=C([O-])COCCOCCNC(=O)C1=CC=CN=C1N1CCCC1	REAL000000129876	0	46	-1.0	-59.66	378.59	5.40	-54.26
O=C([O-])COCCOCCNC(=O)C1=CC=CC(CN2CCOCC2)=C1	REAL000000129877	0	51	-1.0	-58.03	414.59	3.63	-54.39
CC1=CC=CC(C)=C1NCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129878	0	46	-1.0	-54.84	382.89	5.03	-49.82
COC(=O)NC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129879	0	43	-1.0	-66.83	372.93	2.78	-64.05
CNC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000129880	0	41	-1.0	-57.59	359.57	1.10	-56.49
O=C([O-])COCCOCCNC(=O)C(=O)NCCCC1=CC=CC=C1	REAL000000129881	0	48	-1.0	-54.46	412.01	4.47	-49.99
CN(C)C(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129882	0	45	-1.0	-61.12	375.90	4.39	-56.72
CN(C)C(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000129883	0	45	-1.0	-68.65	375.01	4.23	-64.42
O=C([O-])COCCOCCNC(=O)CC(C1=CC=CC=C1)N1CCOC1=O	REAL000000129884	0	50	-1.0	-65.69	414.85	6.13	-59.56
CCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129885	0	52	-1.0	-62.95	441.75	6.96	-55.99
CN(C)C(=O)CCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129886	0	44	-1.0	-66.15	368.81	3.31	-62.84
CCCN(CCC)C(=O)CCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129887	0	56	-1.0	-65.35	454.00	6.76	-58.59
CCNC(=O)CCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129888	0	44	-1.0	-65.80	372.94	2.19	-63.61
CCCNC(=O)CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129889	0	44	-1.0	-56.59	372.94	2.18	-54.41
CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=NN1C1=CC=CC=C1Cl	REAL000000129890	0	44	-1.0	-60.67	394.75	5.35	-55.32
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(S(C)(=O)=O)C=C1	REAL000000129891	0	47	-1.0	-63.78	406.97	3.31	-60.47
CC(C)NC(=O)CCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129892	0	47	-1.0	-65.81	393.57	3.01	-62.80
NC(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=NN1C1=CC=CC=C1	REAL000000129893	0	46	-1.0	-62.14	399.77	2.61	-59.52
O=C([O-])COCCOCCNC(=O)CCCOCC1=CC=CC=C1	REAL000000129894	0	48	-1.0	-59.14	407.28	6.09	-53.06
COC1=CC=CC=C1C1=CC(C(=O)NCCOCCOCC(=O)[O-])=NO1	REAL000000129895	0	45	-1.0	-58.33	395.26	5.01	-53.32
O=C([O-])COCCOCCNC(=O)C1=C(F)C=C(F)C=C1F	REAL000000129896	0	35	-1.0	-56.20	328.42	4.56	-51.64
O=C([O-])COCCOCCNC(=O)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL000000129897	0	37	-1.0	-59.28	338.83	5.95	-53.33
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(C)=C1	REAL000000129898	0	42	-1.0	-55.96	351.19	4.56	-51.40
O=C([O-])COCCOCCNC(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL000000129899	0	38	-1.0	-57.12	349.31	5.63	-51.49
O=C([O-])COCCOCCNC(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL000000129900	0	38	-1.0	-56.33	349.99	5.60	-50.73
O=C([O-])COCCOCCNC(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL000000129901	0	38	-1.0	-53.78	351.18	5.62	-48.16
O=C([O-])COCCOCCNC(=O)CC1=CC=CC(Cl)=C1	REAL000000129902	0	38	-1.0	-57.45	347.09	5.74	-51.71
O=C([O-])COCCOCCNC(=O)CCOC1=CC=C(F)C=C1	REAL000000129903	0	42	-1.0	-55.08	366.63	4.93	-50.15
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL000000129904	0	44	-1.0	-56.03	377.74	6.69	-49.34
O=C([O-])COCCOCCNC(=O)CCCC1=CC=CC=C1	REAL000000129905	0	44	-1.0	-57.10	373.25	6.80	-50.30
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1Cl	REAL000000129906	0	38	-1.0	-54.84	341.15	5.65	-49.19
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1Cl	REAL000000129907	0	38	-1.0	-54.77	341.15	5.65	-49.12
O=C([O-])COCCOCCNC(=O)C1=C(Br)C=CS1	REAL000000129908	0	32	-1.0	-56.13	315.53	4.15	-51.98
O=C([O-])COCCOCCNC(=O)C1(C2=CC=C(Cl)C=C2)CCCCC1	REAL000000129909	0	51	-1.0	-57.26	414.66	8.36	-48.90
COC1=CC=C(C2(C(=O)NCCOCCOCC(=O)[O-])CCCC2)C=C1	REAL000000129910	0	52	-1.0	-57.18	413.35	7.18	-50.00
COC1=CC=C(CCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129911	0	48	-1.0	-58.78	402.75	6.11	-52.68
CC1=NN(CC(=O)NCCOCCOCC(=O)[O-])C(C)=C1Br	REAL000000129912	0	41	-1.0	-58.87	373.21	4.26	-54.61
O=C([O-])COCCOCCNC(=O)CCN1CCCC1=O	REAL000000129913	0	42	-1.0	-64.35	356.42	3.30	-61.05
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])NC(C)=C1C(C)=O	REAL000000129914	0	47	-1.0	-59.22	399.32	4.91	-54.31
NC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C(F)C=C1[N+](=O)[O-]	REAL000000129915	0	39	-1.0	-53.84	346.53	3.70	-50.15
CC(C)(C)NS(=O)(=O)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129916	0	45	-1.0	-65.89	374.77	-0.13	-66.02
CCCS(=O)(=O)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129917	0	40	-1.0	-70.28	354.84	0.94	-69.34
CC(C)S(=O)(=O)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129918	0	40	-1.0	-69.83	350.39	0.75	-69.08
O=C([O-])COCCOCCNC(=O)C1=CC=CC(NC(=O)C2=CC=CO2)=C1	REAL000000129919	0	46	-1.0	-69.22	401.74	4.57	-64.65
CCCCC1=CC=C(C(=O)CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129920	0	55	-1.0	-55.75	457.86	8.86	-46.89
O=C([O-])COCCOCCNC(=O)C1=CC=C(OCC2CC2)C=C1	REAL000000129921	0	46	-1.0	-56.59	388.67	6.39	-50.20
O=C([O-])COCCOCCNC(=O)CNC1=CC=CC=C1[N+](=O)[O-]	REAL000000129922	0	42	-1.0	-65.21	368.68	4.44	-60.78
COC1=CC=C(C(=O)CCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129923	0	50	-1.0	-66.24	422.77	5.96	-60.27
O=C([O-])COCCOCCNC(=O)CCOCC1=CC=CC=C1	REAL000000129924	0	45	-1.0	-55.72	385.78	5.33	-50.39
O=C([O-])COCCOCCNC(=O)CCCS(=O)(=O)N1CCCC1	REAL000000129925	0	49	-1.0	-66.31	416.05	2.24	-64.07
CC(C(=O)NCCOCCOCC(=O)[O-])N1C=C(Cl)C=N1	REAL000000129926	0	38	-1.0	-57.24	346.17	3.65	-53.59
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1C1=CC=C(Cl)C=C1	REAL000000129927	0	49	-1.0	-56.99	429.05	9.01	-47.98
O=C([O-])COCCOCCNC(=O)CC1=CC=C(F)C(Br)=C1	REAL000000129928	0	38	-1.0	-58.00	357.36	5.88	-52.11
CCSCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129929	0	45	-1.0	-57.82	393.31	7.33	-50.49
CCSC1=CC=C(Cl)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129930	0	42	-1.0	-56.18	379.62	6.93	-49.25
CC(CC(=O)NCCOCCOCC(=O)[O-])C(=O)C1=CC=CC(F)=C1	REAL000000129931	0	46	-1.0	-56.61	394.01	6.43	-50.18
CN(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1[N+](=O)[O-]	REAL000000129932	0	45	-1.0	-68.21	386.07	6.03	-62.18
O=C([O-])COCCOCCNC(=O)CCCCC1=CC=C(Cl)C=C1	REAL000000129933	0	47	-1.0	-55.58	411.48	8.10	-47.48
CC(C)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=NN1C	REAL000000129934	0	44	-1.0	-59.34	370.78	4.10	-55.24
O=C([O-])COCCOCCNC(=O)C1(C2=CC=C(Cl)C(Cl)=C2)CCC1	REAL000000129935	0	45	-1.0	-59.80	405.07	7.82	-51.98
CC(C)CC(C)OCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129936	0	50	-1.0	-54.42	405.61	5.17	-49.25
O=C([O-])COCCOCCNC(=O)C1CCCN(C(=O)NC2CCCC2)C1	REAL000000129937	0	57	-1.0	-59.51	446.88	5.51	-54.00
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129938	0	47	-1.0	-58.75	411.76	3.87	-54.87
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129939	0	47	-1.0	-53.87	398.08	7.37	-46.51
CCC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL000000129940	0	47	-1.0	-53.50	405.10	7.37	-46.12
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL000000129941	0	41	-1.0	-54.52	378.19	6.75	-47.77
CC(OC1=CC=CC=C1F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129942	0	42	-1.0	-63.76	362.13	5.83	-57.92
CC(OC1=CC=CC(F)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129943	0	42	-1.0	-57.75	362.32	5.83	-51.91
CC(NC(=O)C1CCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129944	0	48	-1.0	-56.73	391.92	3.49	-53.25
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129945	0	51	-1.0	-59.54	432.11	7.36	-52.17
CC(NC(=O)C1=COC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129946	0	42	-1.0	-60.01	367.65	1.87	-58.15
CC(C)(C)C(=O)N1CCCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129947	0	51	-1.0	-70.31	400.17	5.55	-64.76
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129948	0	49	-1.0	-66.07	409.79	7.51	-58.56
CCC(=O)N1CCCC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000129949	0	48	-1.0	-59.10	387.44	4.40	-54.70
O=C([O-])COCCOCCNC(=O)C1CCCN(C(=O)C2CC2)C1	REAL000000129950	0	49	-1.0	-61.09	396.82	5.11	-55.98
CC1=CC=C(C(=O)N2CCCC(C(=O)NCCOCCOCC(=O)[O-])C2)C=C1	REAL000000129951	0	55	-1.0	-59.70	442.92	6.96	-52.74
CC(=O)NC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1C	REAL000000129952	0	45	-1.0	-67.88	380.28	4.36	-63.53
CCC(=O)N1CCCCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129953	0	48	-1.0	-64.07	382.57	5.58	-58.49
CCCCS(=O)(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000129954	0	55	-1.0	-63.62	450.30	3.74	-59.88
CC(NS(=O)(=O)C1=CC=CS1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129955	0	43	-1.0	-63.36	392.50	0.52	-62.83
CCS(=O)(=O)N1CCCC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000129956	0	49	-1.0	-58.70	407.27	2.12	-56.59
CCCS(=O)(=O)N1CCCCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129957	0	52	-1.0	-64.90	419.10	3.71	-61.19
O=C([O-])COCCOCCNC(=O)CNS(=O)(=O)C1=CC=CS1	REAL000000129958	0	40	-1.0	-61.99	376.38	-0.08	-62.07
CS(=O)(=O)NCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129959	0	39	-1.0	-61.13	348.88	-1.64	-62.77
CN(CC(=O)NCCOCCOCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1	REAL000000129960	0	46	-1.0	-64.57	405.65	2.91	-61.66
CN(CC(=O)NCCOCCOCC(=O)[O-])S(C)(=O)=O	REAL000000129961	0	39	-1.0	-58.60	344.70	-0.23	-58.83
CN(CC(=O)NCCOCCOCC(=O)[O-])C(=O)C1CC1	REAL000000129962	0	42	-1.0	-66.11	358.67	3.85	-62.26
CN(CC(=O)NCCOCCOCC(=O)[O-])C(=O)C1=CC=CS1	REAL000000129963	0	42	-1.0	-67.61	371.11	3.91	-63.70
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129964	0	45	-2.0	-111.60	395.00	2.53	-109.07
O=C([O-])COCCOCCNC(=O)CSCC1=CC=CC=N1	REAL000000129965	0	41	-1.0	-61.74	369.77	4.74	-57.01
O=C([O-])COCCOCCNC(=O)CCSCC1=CC=CC=N1	REAL000000129966	0	44	-1.0	-57.29	391.44	5.53	-51.75
O=C([O-])COCCOCCNC(=O)C1=CC=NC(N2C=CN=C2)=C1	REAL000000129967	0	41	-1.0	-59.27	359.10	6.22	-53.05
O=C([O-])COCCOCCNC(=O)C1=CNC2=NC=CC=C12	REAL000000129968	0	38	-1.0	-62.25	333.11	3.77	-58.48
O=C([O-])COCCOCCNC(=O)C1=CC=C(NC2CC2)N=C1	REAL000000129969	0	43	-1.0	-56.72	366.29	4.08	-52.64
CC1=C(C)N=C2C(=N1)C=C(F)C=C2C(=O)NCCOCCOCC(=O)[O-]	REAL000000129971	0	45	-1.0	-61.27	384.96	4.58	-56.69
O=C([O-])COCCOCCNC(=O)CCC1=NC=CS1	REAL000000129972	0	37	-1.0	-55.28	336.54	3.15	-52.13
O=C([O-])COCCOCCNC(=O)C1=CSC(C2=CC=C(Cl)S2)=N1	REAL000000129973	0	38	-1.0	-56.57	381.65	5.01	-51.56
CC(C(=O)N(C)CC(=O)NCCOCCOCC(=O)[O-])N1C=CC=N1	REAL000000129974	0	48	-1.0	-73.38	402.33	3.66	-69.71
O=C([O-])COCCOCCNC(=O)C1=C2N=CC=CC2=CC(Cl)=C1	REAL000000129975	0	40	-1.0	-62.34	361.51	5.86	-56.47
CN(C)C1=NC2=C(C=C(C(=O)NCCOCCOCC(=O)[O-])S2)S1	REAL000000129976	0	42	-1.0	-58.57	386.74	4.85	-53.72
O=C([O-])COCCOCCNC(=O)C1CCCN1CC1=CC=CC=C1	REAL000000129978	1	50	-1.0	-58.44	407.40	5.37	-53.07
O=C([O-])COCCOCCNC(=O)C1=C2N=CC=NC2=CC(F)=C1	REAL000000129981	0	39	-1.0	-60.53	346.16	3.48	-57.05
CCC1=NC(CC(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000129982	0	40	-1.0	-59.10	357.27	3.86	-55.24
COC1=CC=C(Cl)C=C1NCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129983	0	44	-1.0	-56.52	388.36	3.46	-53.06
NC(=O)C1CCCN(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)C1	REAL000000129984	0	54	-1.0	-62.26	434.33	2.45	-59.80
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2=CC=CC=C2F)S1	REAL000000129986	0	41	-1.0	-60.24	377.01	5.70	-54.54
COC1=CC=CC=C1NCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129987	0	44	-1.0	-57.94	371.64	2.95	-54.99
O=C([O-])COCCOCCNC(=O)C1=CC=CC(OC2=CC=NC=C2)=C1	REAL000000129988	0	45	-1.0	-60.03	389.48	5.62	-54.41
CC(C)NC1=NC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000129989	0	45	-1.0	-56.79	374.46	4.75	-52.04
CSC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129990	0	39	-1.0	-56.13	345.77	5.56	-50.57
COC1=CC=C(C(C)=O)C=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000129991	0	47	-1.0	-61.86	399.71	5.03	-56.83
O=C([O-])COCCOCCNC(=O)CC1=CC=C2CCCCC2=C1	REAL000000129992	0	48	-1.0	-57.31	393.05	7.72	-49.59
O=C([O-])COCCOCCNC(=O)C1=CC=C2CCCC2=C1	REAL000000129993	0	42	-1.0	-57.30	351.27	6.46	-50.84
CC1=CC=C(SCCC(=O)NCCOCCOCC(=O)[O-])C=C1C	REAL000000129994	0	48	-1.0	-56.10	408.94	7.70	-48.39
CC1=NOC(C)=C1CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000129995	0	43	-1.0	-55.82	368.88	4.81	-51.01
COCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129996	0	42	-1.0	-57.72	360.79	4.27	-53.45
O=C([O-])COCCOCCNC(=O)C1CC(=O)N(C2CCCC2)C1	REAL000000129997	0	49	-1.0	-56.40	393.71	4.90	-51.49
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000129998	0	54	-1.0	-58.87	432.89	8.05	-50.82
CC(C)OCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000129999	0	48	-1.0	-57.67	402.92	6.00	-51.67
O=C([O-])COCCOCCNC(=O)COCC1=CC=CC=C1	REAL000000130000	0	42	-1.0	-59.97	364.83	5.61	-54.36
O=C([O-])COCCOCCNC(=O)C1=CC2=CC(F)=CC=C2S1	REAL000000130001	0	38	-1.0	-55.19	351.23	6.02	-49.18
O=C([O-])COCCOCCNC(=O)C1=CC(C2CC2)=NN1C1=CC=CC=C1	REAL000000130002	0	49	-1.0	-59.00	414.38	7.59	-51.41
NC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130003	0	39	-1.0	-61.67	340.22	1.34	-60.33
O=C([O-])COCCOCCNC(=O)CSCC1=CC=CS1	REAL000000130004	0	39	-1.0	-58.01	365.01	5.68	-52.33
O=C([O-])COCCOCCNC(=O)CC1=CC=C2CCCC2=C1	REAL000000130005	0	45	-1.0	-57.55	375.90	7.13	-50.42
O=C([O-])COCCOCCNC(=O)C1CCS(=O)(=O)C1	REAL000000130006	0	38	-1.0	-64.42	333.22	0.16	-64.26
CCOC(=O)NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130007	0	46	-1.0	-61.58	394.68	3.72	-57.86
O=C([O-])COCCOCCNC(=O)C1=CC([N+](=O)[O-])=CN1	REAL000000130008	0	35	-1.0	-61.05	323.02	3.07	-57.98
CC1=NOC(C)=C1S(=O)(=O)NC(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130009	0	48	-1.0	-61.55	414.03	0.48	-61.06
CC1=CC(=O)C(C(=O)NCCOCCOCC(=O)[O-])=NN1C1=CC=CC=C1F	REAL000000130010	0	47	-1.0	-71.74	413.17	7.41	-64.33
O=C([O-])COCCOCCNC(=O)CN1C=C(Br)C(=O)NC1=O	REAL000000130011	0	38	-1.0	-61.17	359.86	1.71	-59.47
CCC(NC1=NN=NN1C1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130012	0	51	-1.0	-59.19	425.16	6.36	-52.83
CC1=C2C(=NN1)N=C(C)C=C2C(=O)NCCOCCOCC(=O)[O-]	REAL000000130013	0	43	-1.0	-59.63	362.35	3.75	-55.89
CCC(C)N1N=CC2=C(C(=O)NCCOCCOCC(=O)[O-])C=C(C)N=C21	REAL000000130014	0	52	-1.0	-59.05	430.23	6.45	-52.60
CC1=CC=CN2C=C(CC(=O)NCCOCCOCC(=O)[O-])N=C12	REAL000000130015	0	44	-1.0	-65.58	377.68	6.44	-59.14
O=C([O-])COCCOCCNC(=O)CC1=CN2C=C(Cl)C=C(Cl)C2=N1	REAL000000130016	0	41	-1.0	-62.68	389.94	6.81	-55.88
CC1=NC=CN1CCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130017	0	44	-1.0	-62.15	373.47	5.40	-56.75
CC(C)(C)C1=NC(C(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000130018	0	43	-1.0	-56.39	375.01	4.09	-52.29
O=C([O-])COCCOCCNC(=O)C1=CC=C2NC(C(F)F)=NC2=C1	REAL000000130021	0	41	-1.0	-60.66	366.47	4.20	-56.46
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(NC(=O)C2=CC=CO2)=C1	REAL000000130022	0	46	-1.0	-60.70	410.82	4.36	-56.35
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=CC=C2)C2=C1CCC2	REAL000000130023	0	49	-1.0	-61.95	414.25	7.51	-54.43
CC(NC(=O)C1=CC=CS1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130024	0	42	-1.0	-57.96	376.41	2.88	-55.08
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(N2CCCC2=O)C=C1	REAL000000130025	0	50	-1.0	-63.36	417.90	6.87	-56.48
CC1=NN(C)C(Cl)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130026	0	38	-1.0	-56.53	350.19	3.18	-53.35
O=C([O-])COCCOCCNC(=O)C1=CC=CC(N2CCCS2(=O)=O)=C1	REAL000000130027	0	47	-1.0	-76.42	403.21	3.15	-73.27
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=C(F)C=C2)C2=C1CCC2	REAL000000130028	0	49	-1.0	-60.21	420.63	7.58	-52.63
CC1=NN(C)C2=C1C=C(C(=O)NCCOCCOCC(=O)[O-])S2	REAL000000130029	0	41	-1.0	-57.34	369.37	4.24	-53.10
CC1=NN(C)C(Cl)=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000130030	0	42	-1.0	-56.53	381.85	4.54	-51.98
O=C([O-])COCCOCCNC(=O)C1=C(COC2=CC=CC=C2)C=CO1	REAL000000130031	0	46	-1.0	-57.36	398.42	5.90	-51.47
O=C([O-])COCCOCCNC(=O)C1=CC=C(NC(=O)C2CC2)S1	REAL000000130032	0	43	-1.0	-60.81	384.92	4.15	-56.66
CN1N=CC2=C1N=CN(CCC(=O)NCCOCCOCC(=O)[O-])C2=O	REAL000000130033	0	46	-1.0	-61.25	400.28	4.92	-56.32
O=C([O-])COCCOCCNC(=O)CC1=CC=C2OCCC2=C1	REAL000000130034	0	43	-1.0	-59.33	366.25	5.07	-54.27
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=C(Cl)N1	REAL000000130035	0	33	-1.0	-53.64	326.67	3.24	-50.40
O=C([O-])COCCOCCNC(=O)C1=CC=C(CN2C=NC=N2)C=C1	REAL000000130036	0	44	-1.0	-65.00	384.26	7.61	-57.39
CN1C(=O)N(CCC(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL000000130037	0	48	-1.0	-64.69	410.97	6.43	-58.26
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1	REAL000000130038	0	42	-1.0	-55.37	383.90	5.09	-50.28
CC1=CC=C(C2=NNC(C(=O)NCCOCCOCC(=O)[O-])=C2)C=C1	REAL000000130039	0	45	-1.0	-56.65	388.58	5.25	-51.41
O=C([O-])COCCOCCNC(=O)C1CC(=O)NC2=CC=CC=C21	REAL000000130040	0	43	-1.0	-66.58	366.00	3.56	-63.02
O=C([O-])COCCOCCNC(=O)C1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL000000130041	0	41	-1.0	-54.55	381.09	6.07	-48.48
NC(=O)NC(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000130042	0	47	-1.0	-58.14	392.35	1.65	-56.49
CN1C(=O)CC(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL000000130043	0	46	-1.0	-67.27	382.88	5.31	-61.96
O=C([O-])COCCOCCNC(=O)C1CC2=CC=CC=C2S1	REAL000000130044	0	40	-1.0	-58.71	353.31	6.06	-52.64
O=C([O-])COCCOCCNC(=O)C1=CC=C(C(F)(F)F)NC1=O	REAL000000130045	0	38	-1.0	-58.75	347.03	2.65	-56.10
COC1=CC=C(C2=NOC(CCC(=O)NCCOCCOCC(=O)[O-])=N2)C=C1	REAL000000130046	0	50	-1.0	-57.67	432.10	3.99	-53.67
O=C([O-])COCCOCCNC(=O)CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21	REAL000000130047	0	50	-1.0	-60.23	422.30	7.97	-52.26
O=C([O-])COCCOCCNC(=O)CCC1CC2=CC=CC=C2NC1=O	REAL000000130048	0	49	-1.0	-57.30	407.39	4.94	-52.36
CC(CCC1=CC=CC(F)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130049	0	47	-1.0	-58.46	395.84	7.41	-51.05
O=C([O-])COCCOCCNC(=O)C1=CN(CC(=O)NC2CCCCC2)N=C1	REAL000000130050	0	55	-1.0	-68.21	453.44	4.43	-63.78
CC1=CC2=C(C=C1C)OC(C(=O)NCCOCCOCC(=O)[O-])C2	REAL000000130051	0	46	-1.0	-61.02	383.39	6.64	-54.37
NC(=O)CS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130052	0	45	-1.0	-68.62	403.84	-0.95	-69.57
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(Br)S1	REAL000000130053	0	38	-1.0	-56.93	359.92	5.70	-51.22
CC(C)C(C(=O)NCCOCCOCC(=O)[O-])N1C=C(Br)C=N1	REAL000000130054	0	44	-1.0	-55.13	382.03	4.87	-50.26
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=CC=C2)=NS1	REAL000000130055	0	41	-1.0	-55.86	370.58	5.77	-50.09
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130056	0	47	-1.0	-57.62	393.78	7.07	-50.55
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C2C=NN(C(C)C)C2=N1	REAL000000130057	0	49	-1.0	-57.71	409.05	5.93	-51.78
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2C=CN=C2)C=C1	REAL000000130058	0	42	-1.0	-58.88	361.53	6.94	-51.94
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C2C=CC(F)=CC2=N1	REAL000000130059	0	43	-1.0	-57.78	369.68	5.64	-52.15
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C2C=NN(C(C)C)C2=N1	REAL000000130060	0	49	-1.0	-59.15	412.00	5.81	-53.34
COC1=CC=C2N=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=CC2=C1	REAL000000130061	0	47	-1.0	-57.61	392.65	4.87	-52.74
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COC1=CC=C2N=C(C(=O)NCCOCCOCC(=O)[O-])C=CC2=C1	REAL000000130069	0	44	-1.0	-57.61	378.64	4.28	-53.32
COC1=CC=CC2=C1OCC(C(=O)NCCOCCOCC(=O)[O-])=C2	REAL000000130070	0	45	-1.0	-58.97	380.88	4.93	-54.04
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CC(C)C1=CC=C(OCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130117	0	51	-1.0	-55.61	420.42	6.79	-48.82
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COC1=CC=C(N2C=CC(C(=O)NCCOCCOCC(=O)[O-])=N2)C=C1	REAL000000130125	0	46	-1.0	-59.76	396.59	5.02	-54.74
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CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1C1=CC=CC(Cl)=C1	REAL000000130127	0	49	-1.0	-57.86	429.08	9.01	-48.85
CC1=C(C(=O)NCCOCCOCC(=O)[O-])OC2=C(C)C=CC(C)=C12	REAL000000130128	0	47	-1.0	-56.85	391.25	6.77	-50.09
CC1=C2OC(C(=O)NCCOCCOCC(=O)[O-])=CC2=CC=C1	REAL000000130129	0	41	-1.0	-56.43	358.38	5.60	-50.82
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CC(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL000000130132	0	47	-1.0	-55.07	403.94	7.45	-47.62
CC(=O)NC1=CC=C(F)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130133	0	42	-1.0	-64.72	366.67	3.53	-61.20
CC(=O)NC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1F	REAL000000130134	0	42	-1.0	-65.17	366.88	3.56	-61.62
CC1=NNC(C(=O)NCCOCCOCC(=O)[O-])=C1[N+](=O)[O-]	REAL000000130135	0	37	-1.0	-59.79	339.37	2.45	-57.34
CCS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130136	0	44	-1.0	-61.07	387.83	2.98	-58.09
O=C([O-])COCCOCCNC(=O)C1CCCN1C(=O)CC1=CC=CC=C1	REAL000000130137	0	52	-1.0	-64.08	431.48	7.66	-56.42
CC1=NC(CCC(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000130138	0	40	-1.0	-56.97	358.00	3.76	-53.21
O=C([O-])COCCOCCNC(=O)CNC(C1=CC=CC=C1)C(F)(F)F	REAL000000130139	0	46	-1.0	-57.65	399.28	4.52	-53.13
CC1=NN(C)C=C1CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130140	0	44	-1.0	-57.76	374.71	4.36	-53.40
CC(C)C1=NC=CN1CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130141	0	47	-1.0	-56.00	393.99	5.65	-50.35
O=C([O-])COCCOCCNC(=O)CC1=COC(C2=CC=C(F)C=C2)=N1	REAL000000130142	0	44	-1.0	-61.06	392.57	3.90	-57.16
CN(C)C1=NC=C(Br)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130144	0	42	-1.0	-55.19	377.22	4.75	-50.43
CC1=CC=C(OCC2=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C2)C=N1	REAL000000130145	0	51	-1.0	-61.02	433.49	6.64	-54.38
CN1CCC(=O)NC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C21	REAL000000130146	0	48	-1.0	-59.28	390.54	2.50	-56.78
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1	REAL000000130148	0	45	-1.0	-57.50	406.15	6.20	-51.30
O=C([O-])COCCOCCNC(=O)C1=CSC(NC2=CC=CC=N2)=N1	REAL000000130149	0	42	-1.0	-59.48	380.61	5.07	-54.41
CC1=CC=C2C=CC=C(C(=O)NCCOCCOCC(=O)[O-])C2=N1	REAL000000130150	0	43	-1.0	-66.39	366.41	5.96	-60.43
CC1=C2C=CC=CC2=NC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130151	0	43	-1.0	-57.24	359.51	5.47	-51.77
O=C([O-])COCCOCCNC(=O)C1=CN=C2C=CSC2=C1	REAL000000130152	0	37	-1.0	-57.03	337.40	3.99	-53.05
O=C([O-])COCCOCCNC(=O)C1=C(C2CCCO2)OC=N1	REAL000000130153	0	42	-1.0	-58.85	359.25	0.28	-58.57
O=C([O-])COCCOCCNC(=O)C1=CC=C(NC2=CC=NC=C2)C=C1	REAL000000130154	1	46	-1.0	-58.10	391.81	5.12	-52.99
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C2=CN(C)N=C2)=N1	REAL000000130155	0	44	-1.0	-58.51	394.43	3.86	-54.65
O=C([O-])COCCOCCNC(=O)C1=CC=CC(OC2=CN=CC=N2)=C1	REAL000000130156	0	44	-1.0	-61.30	387.14	3.03	-58.27
O=C([O-])COCCOCCNC(=O)C1=CC=CC(OC2=NC=CS2)=C1	REAL000000130157	0	42	-1.0	-62.36	380.91	3.28	-59.08
O=C([O-])COCCOCCNC(=O)C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1	REAL000000130158	0	43	-1.0	-65.79	392.10	6.73	-59.06
CC(OC1=CC=CN=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130159	0	41	-1.0	-60.49	351.75	3.95	-56.54
O=C([O-])COCCOCCNC(=O)CN(CC1=CC=CN=C1)C1=CC=CC=C1	REAL000000130160	0	52	-1.0	-57.77	432.82	7.40	-50.36
O=C([O-])COCCOCCNC(=O)C1=CC=NC(N2C=CC=N2)=C1	REAL000000130163	0	41	-1.0	-62.93	361.63	5.05	-57.89
CC(C(=O)NCCOCCOCC(=O)[O-])N(C)CC1=CC=CC=C1	REAL000000130164	1	49	-1.0	-56.50	394.17	4.72	-51.78
O=C([O-])COCCOCCNC(=O)C1=CC(N2C=CC=N2)=CC=N1	REAL000000130165	0	41	-1.0	-64.28	361.73	4.02	-60.26
O=C([O-])COCCOCCNC(=O)C1=CC=CC(N2C=CC=N2)=N1	REAL000000130166	0	41	-1.0	-57.62	363.65	5.09	-52.54
O=C([O-])COCCOCCNC(=O)C1=CSC(CC2=CC=CC=C2F)=N1	REAL000000130167	0	44	-1.0	-56.72	401.77	6.06	-50.65
COC1=CC=CC(NC2=CC=CC=C2C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130168	0	51	-1.0	-59.76	426.07	6.55	-53.21
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC2=C1C(=O)N(C)C=N2	REAL000000130169	0	43	-1.0	-64.95	378.14	5.08	-59.88
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1OCC(N)=O	REAL000000130170	0	47	-1.0	-68.70	402.93	1.75	-66.95
CC(=O)N1CCCC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000130171	0	45	-1.0	-59.33	366.14	3.56	-55.77
O=C([O-])COCCOCCNC(=O)C1=CC2=C(S1)C1=CC=CC=C1S2	REAL000000130172	0	41	-1.0	-56.94	382.52	7.43	-49.51
O=C([O-])COCCOCCNC(=O)CCC1=NC(C2=CSC=C2)=NO1	REAL000000130173	0	43	-1.0	-57.16	392.86	3.54	-53.62
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000130174	0	52	-1.0	-58.78	411.44	7.14	-51.64
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O=C([O-])COCCOCCNC(=O)CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21	REAL000000130176	0	46	-1.0	-63.97	405.33	4.64	-59.33
O=C([O-])COCCOCCNC(=O)C1CC2=CC=CC=C2O1	REAL000000130177	0	40	-1.0	-61.11	344.64	5.45	-55.67
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COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1C	REAL000000130190	0	42	-1.0	-57.28	355.26	4.61	-52.67
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CCC1=CC(OCC(=O)NCCOCCOCC(=O)[O-])=CC=C1Cl	REAL000000130195	0	45	-1.0	-58.24	394.76	6.93	-51.31
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COC1=CC(N2C=NN=N2)=C(Cl)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130198	0	44	-1.0	-63.64	393.35	5.84	-57.80
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(C2=CC=CC=C2F)O1	REAL000000130199	0	46	-1.0	-61.06	410.81	7.80	-53.27
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CC=CC=C2F)O1	REAL000000130200	0	42	-1.0	-59.92	377.90	6.42	-53.50
CC1=NC2=NC=NN2C(C)=C1CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130201	0	48	-1.0	-61.08	402.83	7.96	-53.13
O=C([O-])COCCOCCNC(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL000000130202	0	47	-1.0	-63.46	414.72	2.40	-61.06
CCS(=O)(=O)NC(CCSC)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130203	0	49	-1.0	-59.67	434.55	1.24	-58.43
COC1=CC=C2C=C(C(=O)NCCOCCOCC(=O)[O-])C=CC2=C1	REAL000000130204	0	45	-1.0	-57.95	381.23	6.11	-51.84
CCOC1=CC=C(SCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130205	0	46	-1.0	-57.82	400.20	5.92	-51.90
O=C([O-])COCCOCCNC(=O)CC1OC2=CC=CC=C2NC1=O	REAL000000130206	0	44	-1.0	-58.37	378.68	3.28	-55.09
O=C([O-])COCCOCCNC(=O)CCNC(=O)C1=CC=CS1	REAL000000130207	0	42	-1.0	-63.53	378.98	2.67	-60.87
O=C([O-])COCCOCCNC(=O)CCCNC(=O)C1=CC=CC=C1	REAL000000130208	0	48	-1.0	-60.30	408.33	4.48	-55.81
O=C([O-])COCCOCCNC(=O)C=CC1=CC(Cl)=C2OCCOC2=C1	REAL000000130209	0	45	-1.0	-58.16	400.68	5.45	-52.72
CC1=NOC(C)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000130210	0	40	-1.0	-60.19	347.48	4.01	-56.17
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=C2OCCOC2=C1	REAL000000130211	0	41	-1.0	-57.20	366.14	4.26	-52.94
CCC1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130212	0	47	-1.0	-55.17	394.64	7.45	-47.72
COC1=CC=CC(CCC(=O)NCCOCCOCC(=O)[O-])=C1OC	REAL000000130213	0	49	-1.0	-59.41	412.08	5.36	-54.05
CC(C)(C)C(=O)NCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130214	0	44	-1.0	-55.55	367.75	1.99	-53.56
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=C2OCOC2=C1	REAL000000130215	0	38	-1.0	-56.04	348.50	3.73	-52.31
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1C(=O)C1=CC=CS1	REAL000000130216	0	44	-1.0	-61.10	395.63	7.09	-54.01
O=C([O-])COCCOCCNC(=O)COC1=CC=C(F)C=C1Cl	REAL000000130217	0	39	-1.0	-60.21	361.71	5.73	-54.48
CCCCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130218	0	47	-1.0	-56.11	391.61	7.54	-48.57
CC1=NN(CC(C)C)C(C)=C1CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130219	0	56	-1.0	-56.94	447.55	6.72	-50.21
CC1=CC=C(C2=NN(CC(=O)NCCOCCOCC(=O)[O-])N=N2)C=C1	REAL000000130220	0	46	-1.0	-64.48	403.44	4.90	-59.58
O=C([O-])COCCOCCNC(=O)CCC1=CC(Cl)=CS1	REAL000000130221	0	38	-1.0	-53.87	358.86	5.64	-48.23
CC1=CC=CC(C(C)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130222	0	44	-1.0	-56.97	367.69	6.44	-50.53
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1OC1CCCCC1	REAL000000130223	0	52	-1.0	-61.09	414.47	8.58	-52.51
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CS2)CCCCC1	REAL000000130224	0	48	-1.0	-54.85	386.97	7.30	-47.55
CC1CCC2=C(C=C(C(=O)NCCOCCOCC(=O)[O-])S2)C1	REAL000000130225	0	45	-1.0	-55.75	382.29	6.79	-48.97
O=C([O-])COCCOCCNC(=O)COC1=CC=C2OC3=C(CCCC3)C2=C1	REAL000000130226	0	52	-1.0	-62.83	430.21	8.15	-54.68
CCN1N=NC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C21	REAL000000130227	0	43	-1.0	-61.94	371.46	3.89	-58.05
CC(=O)NC(C(=O)NCCOCCOCC(=O)[O-])C(C)C	REAL000000130228	0	44	-1.0	-54.03	360.88	2.17	-51.86
CC(SC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130229	0	42	-1.0	-56.58	372.06	6.39	-50.18
O=C([O-])COCCOCCNC(=O)CCCC1=NC2=CC=CC=C2C(=O)N1	REAL000000130230	0	49	-1.0	-65.38	417.82	5.30	-60.08
CCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL000000130231	0	46	-1.0	-58.68	386.20	4.73	-53.96
CN(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL000000130232	0	45	-1.0	-61.82	386.13	5.84	-55.99
CC1=CC=C(NC(=O)CSCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130233	0	49	-1.0	-67.85	429.80	5.53	-62.32
CC1OC2=CC=CC=C2OC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130234	0	44	-1.0	-58.71	368.28	5.86	-52.85
CC1=CC(=O)C(C(=O)NCCOCCOCC(=O)[O-])=NN1C1=CC=CC=C1	REAL000000130235	0	47	-1.0	-68.79	402.13	7.23	-61.56
O=C([O-])COCCOCCNC(=O)C1COC2=CC=C(Cl)C=C2C1	REAL000000130236	0	43	-1.0	-54.84	377.02	5.59	-49.25
CCOC1=CC=CC=C1C(=O)NCCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130237	0	55	-1.0	-63.59	457.51	5.98	-57.61
O=C([O-])COCCOCCNC(=O)CCC(=O)C1=CC=C2C=CC=CC2=C1	REAL000000130238	0	49	-1.0	-57.28	418.01	8.10	-49.18
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130239	0	50	-1.0	-59.46	431.54	6.59	-52.87
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC=C2)CCC1	REAL000000130240	0	45	-1.0	-58.12	371.93	6.87	-51.26
NC(=O)COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130241	0	43	-1.0	-64.33	373.72	1.98	-62.35
O=C([O-])COCCOCCNC(=O)CN1N=NC(C2=CC=C(Cl)C=C2)=N1	REAL000000130242	0	43	-1.0	-62.43	398.76	4.74	-57.70
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CC(=O)C1=C(C)OC(CCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130246	0	46	-1.0	-58.66	395.42	5.54	-53.11
O=C([O-])COCCOCCNC(=O)CCN1CCSC1=O	REAL000000130247	0	40	-1.0	-59.55	355.26	2.96	-56.59
CC1=NC(C(=O)NCCOCCOCC(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL000000130248	0	44	-1.0	-61.80	387.41	6.13	-55.68
CCCS(=O)(=O)N1CCCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130249	0	49	-1.0	-70.43	410.45	3.41	-67.02
O=C([O-])COCCOCCNC(=O)C1=C(C2=CC=CC=C2)C=CO1	REAL000000130250	0	42	-1.0	-57.92	365.78	6.19	-51.72
COCCN1N=C(C(=O)NCCOCCOCC(=O)[O-])C=CC1=O	REAL000000130251	0	44	-1.0	-56.14	383.41	1.67	-54.46
CC1=CC=C(C(=O)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130252	0	40	-1.0	-53.38	347.66	5.04	-48.34
NC(=O)CSC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130253	0	43	-1.0	-68.39	378.92	2.49	-65.90
CCN1C(=O)C2=CC=CC=C2N(CC(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000130254	0	50	-1.0	-60.01	421.93	6.26	-53.75
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1CC(F)(F)F	REAL000000130255	0	45	-1.0	-58.69	386.95	6.24	-52.45
COC1=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=CC=C1OCC(N)=O	REAL000000130256	0	51	-1.0	-68.99	437.47	2.94	-66.05
NC(=O)COC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130257	0	47	-1.0	-65.56	408.27	3.17	-62.40
O=C([O-])COCCOCCNC(=O)CCC1=CN(C2=CC=CC=C2)N=C1	REAL000000130258	0	48	-1.0	-59.63	410.58	7.23	-52.40
O=C([O-])COCCOCCNC(=O)CCCC1=CC=C(Br)S1	REAL000000130259	0	41	-1.0	-56.34	385.15	6.63	-49.71
O=C([O-])COCCOCCNC(=O)C1=CC=C2CC3=CC=CC=C3C2=C1	REAL000000130260	0	46	-1.0	-60.43	389.93	8.64	-51.79
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=C1OCCO2	REAL000000130261	0	41	-1.0	-61.42	347.95	4.83	-56.59
CN1C(=O)C=CN(CC(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000130262	0	41	-1.0	-62.67	358.08	3.27	-59.40
CSC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000130263	0	42	-1.0	-56.88	368.89	6.47	-50.41
CCN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C(C)C)=N1	REAL000000130264	0	47	-1.0	-59.69	391.86	5.07	-54.62
O=C([O-])COCCOCCNC(=O)C1=CC2=C(CCCCC2)NC1=O	REAL000000130265	0	48	-1.0	-63.05	385.78	4.65	-58.40
O=C([O-])COCCOCCNC(=O)CCN1C(=O)CCC2=CC=CC=C21	REAL000000130266	0	49	-1.0	-62.20	406.54	6.38	-55.82
O=C([O-])COCCOCCNC(=O)CCN1C(=O)CCC2=CC(F)=CC=C21	REAL000000130267	0	49	-1.0	-61.20	412.96	6.44	-54.76
CCC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130268	0	44	-1.0	-56.66	373.24	6.65	-50.01
CCC(OC1=CC=CC=C1C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130269	0	48	-1.0	-59.21	391.06	7.06	-52.15
COCC1=CC(C(=O)NCCOCCOCC(=O)[O-])=NO1	REAL000000130270	0	38	-1.0	-57.01	340.04	1.70	-55.32
COCC(=O)N[C@H](C(=O)NCCOCCOCC(=O)[O-])C(C)C	REAL000000130271	0	48	-1.0	-56.66	397.48	2.73	-53.93
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130272	0	49	-1.0	-64.74	416.49	5.25	-59.49
CC(C)CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000130273	0	50	-1.0	-56.62	397.55	7.42	-49.20
O=C([O-])COCCOCCNC(=O)CCCC1=NC(C2CC2)=NO1	REAL000000130274	0	46	-1.0	-62.15	396.21	3.93	-58.22
CCCCSCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130275	0	44	-1.0	-53.89	379.54	5.96	-47.93
CC1=NOC(C)=C1CC(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130276	0	46	-1.0	-55.18	381.43	5.22	-49.96
CN1C=C(C2=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C2)C=N1	REAL000000130277	0	45	-1.0	-63.35	385.81	5.85	-57.50
CSCC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1F	REAL000000130278	0	42	-1.0	-56.25	377.13	6.47	-49.78
O=C([O-])COCCOCCNC(=O)CCSC1=CC=C2OCCCOC2=C1	REAL000000130279	0	51	-1.0	-57.33	433.34	6.43	-50.89
COC1=CC=C(SCCC(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL000000130280	0	50	-1.0	-58.01	429.24	5.72	-52.29
O=C([O-])COCCOCCNC(=O)CCC1=NC(C2=COC=C2)=NO1	REAL000000130281	0	43	-1.0	-58.47	384.60	2.64	-55.84
O=C([O-])COCCOCCNC(=O)C1=NOC(C2=CC=CC(F)=C2)=N1	REAL000000130282	0	40	-1.0	-56.85	367.02	3.18	-53.67
O=C([O-])COCCOCCNC(=O)C(=O)NCC1=CC=C(F)C=C1	REAL000000130283	0	42	-1.0	-53.92	375.43	2.97	-50.95
CC(C)(C)CNC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130284	0	54	-1.0	-58.25	441.02	5.92	-52.33
CN(CC(C)(C)C)C(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130285	0	57	-1.0	-66.11	449.51	7.24	-58.87
O=C([O-])COCCOCCNC(=O)CC1=CC=C(S(=O)(=O)C(F)F)C=C1	REAL000000130286	0	44	-1.0	-63.05	404.23	3.15	-59.91
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CC2=NC2=C1CCC2	REAL000000130287	0	47	-1.0	-58.74	394.79	6.52	-52.22
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=CC=C2)C(=O)C=C1	REAL000000130288	0	44	-1.0	-57.48	385.74	5.08	-52.39
CC(C)(C)C1=CC=C(C2(C(=O)NCCOCCOCC(=O)[O-])CC2)C=C1	REAL000000130289	0	54	-1.0	-55.14	432.94	8.59	-46.55
CC1=CC(C2(C(=O)NCCOCCOCC(=O)[O-])CCC2)=CC(C)=C1	REAL000000130290	0	51	-1.0	-58.38	414.74	8.21	-50.17
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL000000130291	0	45	-1.0	-60.60	384.35	8.05	-52.55
O=C([O-])COCCOCCNC(=O)CSCC1=COC(C2=CC=CC=C2)=N1	REAL000000130292	0	48	-1.0	-62.91	431.45	4.99	-57.91
CC1=CC(C)=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1C	REAL000000130293	0	48	-1.0	-56.56	396.15	7.49	-49.07
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COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1F	REAL000000130355	0	39	-1.0	-58.81	341.35	3.95	-54.86
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CC(OC1CCCCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130368	0	51	-1.0	-57.44	393.91	6.25	-51.19
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=C(C2=CC=CC=C2F)O1	REAL000000130372	0	44	-1.0	-59.70	388.39	4.18	-55.52
CC(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(F)=C1	REAL000000130373	0	44	-1.0	-56.99	371.60	6.52	-50.47
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CC(C)C1=NC(C(=O)NCCOCCOCC(=O)[O-])=NN1C1=CC=CC(F)=C1	REAL000000130376	0	50	-1.0	-63.12	429.11	7.09	-56.04
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CC1=CC=NC2=NC(C(=O)NCCOCCOCC(=O)[O-])=NN21	REAL000000130379	0	39	-1.0	-67.68	348.17	5.26	-62.42
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CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C2C=CC=CC2=N1	REAL000000130382	0	43	-1.0	-57.87	363.51	5.52	-52.34
COC1=CC=CC=C1NC1=NC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130383	0	50	-1.0	-62.52	415.35	6.69	-55.83
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CCOC1=CC=CC=C1OCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130385	0	46	-1.0	-63.56	390.37	5.82	-57.73
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CCCC1=C(CC)C=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000130389	0	47	-1.0	-55.50	400.74	7.16	-48.34
CC(C)(C)C1CCC2=C(C=C(C(=O)NCCOCCOCC(=O)[O-])S2)C1	REAL000000130390	0	54	-1.0	-55.69	430.56	8.22	-47.47
CCOC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL000000130391	0	50	-1.0	-59.21	420.74	5.91	-53.30
CCOC1=C(Cl)C=C(C(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL000000130392	0	46	-1.0	-54.87	406.19	5.39	-49.48
CC(CCC1=CC=CC=C1F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130393	0	47	-1.0	-57.69	394.99	7.39	-50.31
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CCC1=NC(C)=NC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130395	0	42	-1.0	-54.44	352.79	3.90	-50.54
NC(=O)C1=CC=C(OCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130396	0	46	-1.0	-59.54	394.67	1.67	-57.87
CSC1=CC=C(OC(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130397	0	46	-1.0	-59.01	396.10	6.77	-52.24
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130398	0	49	-1.0	-69.34	420.56	5.99	-63.35
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C=CCOC1=CC=C(C(F)(F)F)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130400	0	46	-1.0	-58.44	406.83	7.61	-50.83
O=C([O-])COCCOCCNC(=O)C1=CC(N2CCOC2=O)=CC=C1F	REAL000000130401	0	44	-1.0	-68.80	378.94	4.70	-64.10
O=C([O-])COCCOCCNC(=O)C1=CC(N2CCNC2=O)=CC=C1F	REAL000000130402	0	45	-1.0	-64.57	382.72	3.36	-61.21
COC1=CC=C(COCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130403	0	49	-1.0	-56.52	415.29	4.64	-51.88
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CSC=C1	REAL000000130404	0	38	-1.0	-56.27	337.35	4.80	-51.47
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CS1	REAL000000130405	0	38	-1.0	-55.71	338.26	4.97	-50.74
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=C(F)C=C2)N=C1	REAL000000130406	0	41	-1.0	-54.75	371.11	4.22	-50.53
CC1=CC=CC(Cl)=C1OCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130407	0	42	-1.0	-60.72	379.32	6.51	-54.21
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(F)=C1	REAL000000130408	0	44	-1.0	-59.90	367.78	6.23	-53.66
CC(C)CCN1C=C(C(=O)NCCOCCOCC(=O)[O-])N=N1	REAL000000130409	0	46	-1.0	-57.41	388.93	3.78	-53.63
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])N=NN1CC	REAL000000130410	0	43	-1.0	-57.70	366.65	2.98	-54.72
CC(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL000000130411	0	47	-1.0	-54.74	403.92	7.45	-47.29
CCC1=CC=C(C(C)CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130412	0	50	-1.0	-55.15	408.09	7.89	-47.26
CCC(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=C(C)C=C1	REAL000000130413	0	50	-1.0	-55.30	406.98	7.77	-47.53
CC(CC1=CC=CC=C1F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130414	0	44	-1.0	-58.54	373.84	6.58	-51.96
CC(C)C(CC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130415	0	50	-1.0	-54.92	396.85	8.00	-46.92
CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130416	0	47	-1.0	-54.74	405.86	7.49	-47.25
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130417	0	47	-1.0	-54.20	406.18	7.50	-46.70
CC(C)C1=CC=C(C(C)CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130418	0	53	-1.0	-55.06	425.42	8.39	-46.67
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1C(F)(F)F	REAL000000130419	0	44	-1.0	-54.31	379.11	6.59	-47.72
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(Cl)=C1	REAL000000130420	0	44	-1.0	-55.12	378.12	6.68	-48.44
CSC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(Cl)C=C1Cl	REAL000000130421	0	39	-1.0	-55.03	373.39	6.54	-48.49
CCOC(CC(=O)NCCOCCOCC(=O)[O-])C(C)C	REAL000000130422	0	47	-1.0	-55.47	378.82	5.00	-50.47
O=C([O-])COCCOCCNC(=O)CN1C=C(C2CC2)N=N1	REAL000000130423	0	41	-1.0	-65.03	356.30	3.43	-61.60
CCC1=CC=C(C2=NC(CC(=O)NCCOCCOCC(=O)[O-])=CS2)C=C1	REAL000000130424	0	50	-1.0	-60.44	436.89	7.62	-52.82
CSC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL000000130425	0	41	-1.0	-62.10	369.29	6.07	-56.03
CC(NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130426	0	47	-1.0	-63.26	413.93	1.71	-61.55
CC1=NOC(C)=C1CSCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130427	0	44	-1.0	-61.38	391.91	5.38	-56.01
CSCC1=C(C(=O)NCCOCCOCC(=O)[O-])OC2=CC=CC=C21	REAL000000130428	0	45	-1.0	-56.97	399.44	6.84	-50.13
O=C([O-])COCCOCCNC(=O)C1=CC=C(S(=O)(=O)C(F)F)C=C1	REAL000000130429	0	41	-1.0	-60.58	379.56	2.48	-58.09
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(Cl)=C1OC	REAL000000130430	0	43	-1.0	-54.92	384.34	4.44	-50.48
O=C([O-])COCCOCCNC(=O)CSCC1=CC=C(F)C=C1	REAL000000130431	0	42	-1.0	-58.55	381.19	6.66	-51.89
CC1=CC=CC(CSCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130432	0	45	-1.0	-58.47	396.19	7.26	-51.21
CC1=CC=CC=C1COC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130433	0	52	-1.0	-62.91	429.75	9.69	-53.22
CON=CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130434	0	42	-1.0	-58.75	369.17	4.66	-54.09
CS(=O)(=O)C1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130435	0	41	-1.0	-64.98	353.56	3.14	-61.85
CCCCOC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL000000130436	0	56	-1.0	-58.81	463.74	7.50	-51.31
CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=C(C2=CC=CC=C2)O1	REAL000000130437	0	44	-1.0	-56.63	383.88	3.82	-52.81
CC(=O)C1=CC=C(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])O2)C=C1	REAL000000130438	0	47	-1.0	-61.66	411.91	6.78	-54.88
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2SCCS2)C=C1	REAL000000130439	0	44	-1.0	-57.58	392.55	7.61	-49.97
CS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130440	0	41	-1.0	-62.11	366.37	2.08	-60.03
CSCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130441	0	42	-1.0	-57.89	371.85	6.42	-51.47
CS(=O)(=O)CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130442	0	44	-1.0	-67.50	390.75	2.75	-64.75
O=C([O-])COCCOCCNC(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL000000130443	0	40	-1.0	-68.88	354.04	4.72	-64.16
CCN1C(=O)C(=O)NC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C21	REAL000000130444	0	47	-1.0	-63.04	400.20	4.16	-58.87
CCOC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1OCC	REAL000000130445	0	53	-1.0	-59.10	442.60	6.83	-52.27
CC(C)NS(=O)(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130446	0	49	-1.0	-62.34	420.57	2.14	-60.20
CC1=CC(C)=NC(SCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000130447	0	43	-1.0	-60.28	384.58	4.48	-55.80
O=C([O-])COCCOCCNC(=O)CCN1C(=O)C2=CC=CC=C2C1=O	REAL000000130448	0	45	-1.0	-62.16	396.59	4.80	-57.37
CC1CCC2=C(C1)SC=C2C(=O)NCCOCCOCC(=O)[O-]	REAL000000130449	0	45	-1.0	-56.33	377.51	6.73	-49.60
CC1=CC(C)=NN1C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130450	0	48	-1.0	-59.26	404.79	6.75	-52.51
O=C([O-])COCCOCCNC(=O)CCCOC1=CC=CC=C1	REAL000000130451	0	45	-1.0	-58.85	381.72	5.64	-53.22
CSCCC(NC(=O)C1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130452	0	52	-1.0	-56.34	442.66	5.75	-50.59
CC1=CC=C(C(=O)NC(C(=O)NCCOCCOCC(=O)[O-])C(C)C)C=C1	REAL000000130453	0	54	-1.0	-57.01	441.73	6.34	-50.67
CCOC1=CC=C(OCCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130454	0	52	-1.0	-59.43	433.07	5.86	-53.57
CC(=O)C1=C(C)NC(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000130455	0	44	-1.0	-59.50	377.75	4.15	-55.35
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CC2=NC(C2=CC=CC=C2)=C1	REAL000000130456	0	50	-1.0	-58.44	418.57	8.56	-49.87
O=C([O-])COCCOCCNC(=O)C1=CC=C2C=CC=CC2=N1	REAL000000130457	0	40	-1.0	-58.12	349.20	4.97	-53.16
O=C([O-])COCCOCCNC(=O)C1=CN=CC(Br)=C1	REAL000000130458	0	34	-1.0	-54.43	322.04	3.37	-51.06
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CC2=NC(C2=CC=CN=C2)=C1	REAL000000130459	0	49	-1.0	-58.77	413.56	6.76	-52.01
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CC2=NC(C2=CC=NC=C2)=C1	REAL000000130460	0	49	-1.0	-58.70	413.75	6.78	-51.92
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CC2=NC(C2=CC=CO2)=C1	REAL000000130461	0	47	-1.0	-58.77	404.22	6.70	-52.07
CC1=CC=CC(NC2=CC=CC=C2C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000130462	0	53	-1.0	-59.51	431.72	8.56	-50.95
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CC2=NC(C2=CC=CC=N2)=C1	REAL000000130463	0	49	-1.0	-59.63	416.09	7.03	-52.60
CCCN(CC)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000130464	0	51	-1.0	-57.28	419.34	7.06	-50.22
CCN(CC)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000130465	0	48	-1.0	-57.39	397.85	6.29	-51.10
O=C([O-])COCCOCCNC(=O)C1=CSC(C2CC2)=N1	REAL000000130466	0	38	-1.0	-56.74	344.77	3.77	-52.97
CC(C)CC1=NC(C(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000130467	0	43	-1.0	-56.15	374.63	4.26	-51.89
O=C([O-])COCCOCCNC(=O)C1=CC=NC(N2C=NC=N2)=C1	REAL000000130468	0	40	-1.0	-62.52	356.43	6.41	-56.12
CCCN(CC)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130469	0	52	-1.0	-57.46	422.12	7.60	-49.85
CCN(C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1)C(C)C	REAL000000130470	0	52	-1.0	-57.37	410.93	7.12	-50.25
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(N2CCOCC2)C=C1	REAL000000130471	0	52	-1.0	-57.62	423.98	4.58	-53.03
CCCN(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130472	0	49	-1.0	-57.44	400.06	6.66	-50.77
CC1=CC=C2N=C(C3CC3)C=C(C(=O)NCCOCCOCC(=O)[O-])C2=C1	REAL000000130473	0	50	-1.0	-57.67	412.93	7.62	-50.04
CC(C)C(C(=O)NCCOCCOCC(=O)[O-])N1C(=O)C2=CC=CC=C2C1=O	REAL000000130474	0	51	-1.0	-64.95	425.86	8.16	-56.80
O=C([O-])COCCOCCNC(=O)CCCSC1=CC=C(Cl)C=C1	REAL000000130475	0	45	-1.0	-57.20	408.77	7.78	-49.42
COC1=CC=C(C(=O)NC(C(=O)NCCOCCOCC(=O)[O-])C(C)C)C=C1	REAL000000130476	0	55	-1.0	-56.96	446.33	4.64	-52.32
CC1=CC=C(C(=O)CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130477	0	46	-1.0	-56.20	393.38	6.52	-49.67
CC1=CC=CC(C(=O)NC(C(=O)NCCOCCOCC(=O)[O-])C(C)C)=C1	REAL000000130478	0	54	-1.0	-56.91	437.74	6.03	-50.88
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130479	0	44	-1.0	-60.09	382.47	2.76	-57.33
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130480	0	44	-1.0	-63.47	387.24	0.09	-63.38
O=C([O-])COCCOCCNC(=O)C1CC1(Cl)Cl	REAL000000130481	0	32	-1.0	-56.08	313.87	4.04	-52.04
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130482	0	42	-1.0	-56.28	363.58	4.40	-51.88
CSC1=CC=CC(N2CC(C(=O)NCCOCCOCC(=O)[O-])CC2=O)=C1	REAL000000130483	0	50	-1.0	-63.80	424.74	6.52	-57.28
CSCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000130484	0	39	-1.0	-57.41	356.59	4.59	-52.82
O=C([O-])COCCOCCNC(=O)CCC(=O)C1=CC=C2OCCCOC2=C1	REAL000000130485	0	52	-1.0	-58.50	434.74	5.81	-52.68
O=C([O-])COCCOCCNC(=O)C1=CC=C(COC2=CC=CC=C2)O1	REAL000000130486	0	46	-1.0	-58.41	401.74	5.99	-52.42
CC1=CC(NC(=O)C(C)SCC(=O)NCCOCCOCC(=O)[O-])=NO1	REAL000000130487	0	48	-1.0	-65.60	423.01	4.62	-60.98
CC1=CC=C(NC(=O)CSC(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130488	0	52	-1.0	-68.94	448.35	6.09	-62.85
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130489	0	42	-2.0	-110.17	373.54	1.63	-108.54
O=C([O-])COCCOCCNC(=O)CCNS(=O)(=O)C1=CC=C(F)C=C1	REAL000000130490	0	46	-1.0	-60.02	412.90	1.64	-58.38
O=C([O-])COCCOCCNC(=O)C12CCC(=O)N1CCS2	REAL000000130491	0	41	-1.0	-60.49	357.91	3.17	-57.33
CS(=O)(=O)N1CCCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130492	0	43	-1.0	-70.41	367.48	1.72	-68.69
O=C([O-])COCCOCCNC(=O)C1CCCN1CC1=CC=C(F)C=C1	REAL000000130493	0	50	-1.0	-53.96	409.65	4.95	-49.01
O=C([O-])COCCOCCNC(=O)C1CCCN(C(=O)C2=CC=NC=C2)C1	REAL000000130494	0	51	-1.0	-59.73	417.44	4.55	-55.18
CC1=C(CC(=O)NCCOCCOCC(=O)[O-])N=C(C2=CC=CO2)O1	REAL000000130495	0	44	-1.0	-63.12	389.68	2.35	-60.77
O=C([O-])COCCOCCNC(=O)CCC1=NC2=CC(Cl)=CC=C2S1	REAL000000130496	0	43	-1.0	-55.58	400.21	5.96	-49.62
CC1=NN(C)C(C)=C1C(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130497	0	47	-1.0	-61.77	381.23	4.36	-57.41
O=C([O-])COCCOCCNC(=O)C1=CC=CN1CC1=CC=NC=C1	REAL000000130498	0	45	-1.0	-58.34	383.07	5.86	-52.48
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2=CC=CC=N2)S1	REAL000000130499	0	40	-1.0	-58.14	368.89	3.74	-54.40
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1OC1=CC=CN=C1	REAL000000130500	0	45	-1.0	-63.41	387.17	6.79	-56.62
O=C([O-])COCCOCCNC(=O)C=CC1=CSC=N1	REAL000000130501	0	35	-1.0	-57.62	326.68	2.93	-54.69
CC1=NN=C2C=CC(C(=O)NCCOCCOCC(=O)[O-])=CN12	REAL000000130502	0	40	-1.0	-59.54	348.56	5.66	-53.88
O=C([O-])COCCOCCNC(=O)C1=CN2C=NN=C2C=C1	REAL000000130503	0	37	-1.0	-59.39	326.71	5.82	-53.57
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2C=CN=C2)N=N1	REAL000000130504	0	40	-1.0	-58.58	356.30	5.10	-53.48
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2=NC=CC=N2)S1	REAL000000130505	0	39	-1.0	-61.46	364.37	2.81	-58.65
CC(C)CN1N=CC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CN=C21	REAL000000130506	0	49	-1.0	-57.28	411.79	6.13	-51.14
O=C([O-])COCCOCCNC(=O)C1=CN=C2C(=C1)C=NN2C1CCCC1	REAL000000130507	0	50	-1.0	-57.48	415.81	6.63	-50.85
O=C([O-])COCCOCCNC(=O)C1=CC=NC(OC2=CC=CC=C2)=C1	REAL000000130508	0	45	-1.0	-59.57	392.75	4.90	-54.67
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1C1=CC=CC=N1	REAL000000130509	0	48	-1.0	-61.90	403.46	7.42	-54.48
O=C([O-])COCCOCCNC(=O)C1=CC=CN=C1OCC(F)(F)F	REAL000000130510	0	41	-1.0	-62.36	372.18	3.89	-58.48
CCOC1=CC=C(C2=NC(C(=O)NCCOCCOCC(=O)[O-])=CS2)C=C1	REAL000000130511	0	48	-1.0	-57.12	424.28	5.60	-51.52
CN1CCN(CC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)CC1	REAL000000130512	1	55	-1.0	-57.14	439.80	3.49	-53.65
CCN(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000130513	0	46	-1.0	-58.05	382.97	6.37	-51.67
CN1C=C(C2=NC=C(C(=O)NCCOCCOCC(=O)[O-])S2)C=N1	REAL000000130515	0	41	-1.0	-58.92	377.35	3.25	-55.67
CC1=NC(C(=O)NCCOCCOCC(=O)[O-])=C2C=CC=CN12	REAL000000130516	0	41	-1.0	-64.36	355.44	5.65	-58.71
O=C([O-])COCCOCCNC(=O)CC1CN(CC2=CC=CC=C2)CCO1	REAL000000130517	0	54	-1.0	-58.61	437.85	5.24	-53.36
CCC(C)C(NC(=O)C1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130518	0	54	-1.0	-58.12	430.94	6.23	-51.89
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CC2=NC=C1	REAL000000130519	0	40	-1.0	-57.94	341.93	4.90	-53.04
CCOC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C([N+](=O)[O-])C=C1OC	REAL000000130520	0	48	-1.0	-58.19	412.89	6.06	-52.13
O=C([O-])COCCOCCNC(=O)COC1=CC=CC(Cl)=C1	REAL000000130521	0	39	-1.0	-59.71	356.00	5.64	-54.06
C=CCC1=CC=C(OCC(=O)NCCOCCOCC(=O)[O-])C(OC)=C1	REAL000000130522	0	50	-1.0	-63.07	424.22	6.88	-56.19
COC1=CC=C(Cl)C=C1NCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130524	0	47	-1.0	-57.40	410.49	4.11	-53.29
CN(C)C(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000130525	0	46	-1.0	-55.34	380.10	4.39	-50.95
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CN=C2)=N1	REAL000000130526	0	44	-1.0	-63.69	379.39	4.02	-59.68
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CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1C1=CC(C)=CC=C1	REAL000000130597	0	52	-1.0	-58.54	430.50	9.05	-49.49
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CC(C)C1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130604	0	48	-1.0	-55.98	400.41	7.66	-48.31
CC1=CC=C(OCC(=O)NCCOCCOCC(=O)[O-])C(C)=C1	REAL000000130605	0	45	-1.0	-59.13	380.75	6.51	-52.61
CCCC1=C(C)SC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130606	0	44	-1.0	-55.82	381.05	6.45	-49.37
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CC1=C(C)SC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130616	0	38	-1.0	-56.03	339.35	4.96	-51.07
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CC1=CC(NC(=O)CSCC(=O)NCCOCCOCC(=O)[O-])=NO1	REAL000000130623	0	45	-1.0	-66.23	404.45	4.06	-62.18
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CCCCC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130628	0	50	-1.0	-56.47	416.24	8.22	-48.25
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CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(S(N)(=O)=O)=C1C	REAL000000130632	0	46	-1.0	-64.17	392.61	0.79	-63.38
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CC1=CC=C(C2=CN=CC(C(=O)NCCOCCOCC(=O)[O-])=C2)C=C1	REAL000000130671	0	47	-1.0	-57.06	396.50	6.86	-50.21
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CC1=NOC(CSC2=CC=CC=C2C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130681	0	48	-1.0	-61.87	419.75	7.60	-54.26
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CN1C(C(=O)NCCOCCOCC(=O)[O-])=CC(Cl)=C1Cl	REAL000000130722	0	36	-1.0	-52.87	343.69	4.85	-48.02
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CC(C)OC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130724	0	49	-1.0	-57.02	409.45	6.62	-50.40
CN(C)C(=O)NC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130725	0	47	-1.0	-69.36	394.89	4.26	-65.10
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CC(C)OCC1=C(C(=O)NCCOCCOCC(=O)[O-])OC2=CC=CC=C21	REAL000000130727	0	51	-1.0	-57.78	430.52	6.41	-51.37
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CC1=CC=C(SCC(=O)NCCOCCOCC(=O)[O-])C(C)=C1	REAL000000130736	0	45	-1.0	-57.19	388.78	6.95	-50.24
CC1=CC(OCC(=O)NCCOCCOCC(=O)[O-])=CC=C1Cl	REAL000000130737	0	42	-1.0	-58.32	374.72	6.24	-52.08
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1NC(=O)C1=CC=CO1	REAL000000130738	0	49	-1.0	-67.64	420.48	5.48	-62.17
COC1=CC=CC2=C1OC(=O)C(C(=O)NCCOCCOCC(=O)[O-])=C2	REAL000000130739	0	44	-1.0	-64.16	381.80	5.72	-58.44
CNS(=O)(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130740	0	43	-1.0	-62.83	382.31	0.73	-62.10
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CC1=CC=C2C(=O)N(CC(=O)NCCOCCOCC(=O)[O-])C(=O)C2=C1	REAL000000130742	0	45	-1.0	-64.94	396.95	5.07	-59.87
O=C([O-])COCCOCCNC(=O)CCC(=O)N1CC(=O)NC2=CC=CC=C21	REAL000000130743	0	50	-1.0	-59.77	420.94	3.74	-56.03
O=C([O-])COCCOCCNC(=O)CCC1=CC=CC=C1F	REAL000000130744	0	41	-1.0	-58.14	357.32	6.07	-52.08
CC1=CC=C2C(=C1)SC(C(=O)NCCOCCOCC(=O)[O-])=C2Cl	REAL000000130745	0	41	-1.0	-56.92	378.88	7.11	-49.81
NC(=O)N1CCC[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130746	0	41	-1.0	-63.06	344.47	0.26	-62.80
O=C([O-])COCCOCCNC(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL000000130747	0	52	-1.0	-59.45	423.25	6.33	-53.11
O=C([O-])COCCOCCNC(=O)C1CC(=O)N(C2=CC=C(F)C=C2)C1	REAL000000130748	0	46	-1.0	-67.48	391.42	5.59	-61.89
CC(OC1=CC=CC(Br)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130749	0	42	-1.0	-57.40	377.20	6.37	-51.02
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CC=CS2)NC1=O	REAL000000130750	0	42	-1.0	-70.60	375.81	5.57	-65.03
O=C([O-])COCCOCCNC(=O)C1CCCCN1CC1=CC=C(F)C=C1	REAL000000130751	0	53	-1.0	-56.41	420.81	5.90	-50.50
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COC1=NC=NC(OC)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130753	0	41	-1.0	-59.10	363.30	-0.52	-59.62
COC1=CC(C2(C(=O)NCCOCCOCC(=O)[O-])CCCC2)=CC=C1C	REAL000000130754	0	55	-1.0	-57.93	433.42	7.93	-50.00
CCCS(=O)(=O)NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130755	0	49	-1.0	-63.13	422.10	2.97	-60.16
CC(C)C1=CC=C2C(=C1)SC(C(=O)NCCOCCOCC(=O)[O-])=C2Cl	REAL000000130756	0	47	-1.0	-56.22	417.63	8.37	-47.85
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1C1=CC(C)=CC(C)=C1	REAL000000130757	0	55	-1.0	-58.35	451.90	9.72	-48.62
CC(C)CC(=O)NCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130758	0	47	-1.0	-63.44	389.67	2.74	-60.70
CC(C)C1=CC=C(C2(C(=O)NCCOCCOCC(=O)[O-])CCCC2)C=C1	REAL000000130759	0	57	-1.0	-58.28	444.09	9.80	-48.48
O=C([O-])COCCOCCNC(=O)C1CCCN1C1=C2C=CSC2=NC=N1	REAL000000130760	0	48	-1.0	-64.69	410.13	5.70	-58.98
CC1(C)CC(=O)C2=C(C1)NC(=O)C(C(=O)NCCOCCOCC(=O)[O-])=C2	REAL000000130761	0	50	-1.0	-69.24	410.43	4.25	-64.99
O=C([O-])COCCOCCNC(=O)CNC(=O)CC1CCCCC1	REAL000000130762	0	51	-1.0	-55.41	409.16	4.00	-51.41
CC(NC(=O)CC1CCCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130763	0	54	-1.0	-56.71	428.72	4.86	-51.85
CC(CC(=O)NCCOCCOCC(=O)[O-])NC(=O)C1CCCCC1	REAL000000130764	0	54	-1.0	-63.42	431.98	5.09	-58.33
CC(CC(=O)NCCOCCOCC(=O)[O-])NC(=O)C1CCCC1	REAL000000130765	0	51	-1.0	-63.58	413.85	4.42	-59.16
CN1C(C(=O)NCCOCCOCC(=O)[O-])=CC=C1C1=CC=C(F)C=C1	REAL000000130766	0	46	-1.0	-57.47	389.37	7.52	-49.95
CC1=CC=CC(N2C=C(C(=O)NCCOCCOCC(=O)[O-])N=N2)=C1	REAL000000130767	0	44	-1.0	-57.77	384.48	4.91	-52.87
CC(C)(C)CC(=O)N1CCCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130768	0	54	-1.0	-61.04	424.65	6.44	-54.61
CC1=CC=CC=C1C(C)(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130769	0	47	-1.0	-56.20	372.15	6.45	-49.75
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C2OCCOC2=C1	REAL000000130770	0	50	-1.0	-62.18	405.87	5.32	-56.86
COC1=CC=CC=C1C(C)(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130771	0	48	-1.0	-58.82	386.45	6.39	-52.44
O=C([O-])COCCOCCNC(=O)CCC1=CC=CC(F)=C1F	REAL000000130772	0	41	-1.0	-56.32	363.50	6.13	-50.19
O=C([O-])COCCOCCNC(=O)COCC1CCCO1	REAL000000130773	0	43	-1.0	-62.70	362.00	3.05	-59.65
CC(C)(C)C1=CC=C(C2(C(=O)NCCOCCOCC(=O)[O-])CCC2)C=C1	REAL000000130774	0	57	-1.0	-57.43	449.37	9.17	-48.26
O=C([O-])COCCOCCNC(=O)C1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL000000130775	0	43	-1.0	-58.07	401.19	6.02	-52.04
COC1=CC(C2(C(=O)NCCOCCOCC(=O)[O-])CCC2)=CC=C1C	REAL000000130776	0	52	-1.0	-58.30	423.77	6.88	-51.41
CC(C)C1=CC=C(C2(C(=O)NCCOCCOCC(=O)[O-])CCC2)C=C1	REAL000000130777	0	54	-1.0	-58.52	432.14	8.79	-49.73
CC1=CC=C(C2=NC=C(C(=O)NCCOCCOCC(=O)[O-])S2)C(C)=C1	REAL000000130778	0	47	-1.0	-56.40	409.69	7.30	-49.10
O=C([O-])COCCOCCNC(=O)CCOC1=CC=CC=C1F	REAL000000130779	0	42	-1.0	-56.84	366.45	4.95	-51.90
CCC1=CC=CC=C1OCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130780	0	45	-1.0	-59.12	380.97	6.60	-52.52
COC1=CC=CC=C1OCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130781	0	46	-1.0	-58.23	389.47	4.79	-53.44
O=C([O-])COCCOCCNC(=O)COC1=CC=CC=C1CC1=CC=CC=C1	REAL000000130782	0	52	-1.0	-60.65	438.74	9.61	-51.04
CC1=CC=C(C)C(OCCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130783	0	48	-1.0	-56.34	401.71	6.29	-50.05
O=C([O-])COCCOCCNC(=O)C1=CC=C(COC2=CC=C(F)C=C2)O1	REAL000000130784	0	46	-1.0	-58.26	408.16	6.05	-52.21
O=C([O-])COCCOCCNC(=O)C1=CC=C([N+](=O)[O-])S1	REAL000000130785	0	34	-1.0	-54.13	327.72	4.36	-49.77
O=C([O-])COCCOCCNC(=O)C1COC2=CC=CC=C2O1	REAL000000130786	0	41	-1.0	-58.76	353.41	4.66	-54.10
O=C([O-])COCCOCCNC(=O)CSCC1=CC=CC(Cl)=C1	REAL000000130787	0	42	-1.0	-58.95	391.51	7.11	-51.85
O=C([O-])COCCOCCNC(=O)CSCC1=CC=C(Cl)C=C1	REAL000000130788	0	42	-1.0	-58.00	391.51	7.11	-50.89
O=C([O-])COCCOCCNC(=O)C1=CC=C(CSC2=CC=CC=C2)C=C1	REAL000000130789	0	49	-1.0	-58.66	427.32	9.44	-49.22
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1N1C=NN=N1	REAL000000130790	0	40	-1.0	-67.62	351.91	4.73	-62.89
COC1=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=CC=C1OCC(C)C	REAL000000130791	0	56	-1.0	-58.78	462.34	7.39	-51.40
CC1=CC(C(=O)CCC(=O)NCCOCCOCC(=O)[O-])=C(C)S1	REAL000000130792	0	46	-1.0	-55.55	402.20	6.44	-49.11
CCOC1=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=CC=C1OC	REAL000000130793	0	50	-1.0	-59.25	420.74	5.91	-53.34
O=C([O-])COCCOCCNC(=O)CCCN1C(=O)OC2=CC=CC=C21	REAL000000130794	0	47	-1.0	-68.58	406.34	6.33	-62.24
O=C([O-])COCCOCCNC(=O)COC1=CC=C(F)C=C1	REAL000000130795	0	39	-1.0	-58.51	345.68	5.19	-53.32
O=C([O-])COCCOCCNC(=O)C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1	REAL000000130796	0	46	-1.0	-61.59	394.28	5.90	-55.69
O=C([O-])COCCOCCNC(=O)CSC1=CC=NC=C1	REAL000000130797	0	38	-1.0	-57.67	344.00	3.93	-53.75
O=C([O-])COCCOCCNC(=O)C1OCCC2=CC=CC=C21	REAL000000130798	0	43	-1.0	-55.53	356.69	4.84	-50.69
COC1=CC=C(C(=O)CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130799	0	47	-1.0	-56.80	401.27	5.19	-51.61
O=C([O-])COCCOCCNC(=O)C1=CC(Br)=CC=C1O	REAL000000130800	0	36	-1.0	-55.52	335.86	3.71	-51.80
O=C([O-])COCCOCCNC(=O)C1=CC(Br)=CC=C1[O-]	REAL000000130800	1	35	-2.0	-110.52	332.30	4.71	-105.81
COC1=C(Br)SC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130801	0	36	-1.0	-54.13	349.59	3.59	-50.54
O=C([O-])COCCOCCNC(=O)COCC(F)(F)F	REAL000000130802	0	35	-1.0	-61.05	324.49	3.03	-58.02
O=C([O-])COCCOCCNC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL000000130803	0	37	-2.0	-105.85	339.15	4.28	-101.57
O=C([O-])COCCOCCNC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL000000130804	0	37	-2.0	-101.90	339.12	4.30	-97.60
O=C([O-])COCCOCCNC(=O)C1=CC(F)=C(F)C=C1Br	REAL000000130805	0	35	-1.0	-53.00	334.67	5.31	-47.69
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(Br)=C1	REAL000000130806	0	38	-1.0	-57.11	343.40	5.84	-51.27
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL000000130807	0	44	-1.0	-69.63	391.12	6.79	-62.83
O=C([O-])COCCOCCNC(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL000000130808	0	43	-1.0	-62.69	370.01	3.82	-58.87
O=C([O-])COCCOCCNC(=O)CN1C=NC2=CC=CC=C2C1=O	REAL000000130809	0	43	-1.0	-69.65	376.00	5.72	-63.93
NC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130810	0	39	-1.0	-55.51	344.24	3.44	-52.07
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=C(F)C=C2S1	REAL000000130811	0	38	-1.0	-54.84	351.23	6.01	-48.83
O=C([O-])COCCOCCNC(=O)C1CC1C1=CC=CC=C1Cl	REAL000000130812	0	42	-1.0	-55.75	364.55	6.92	-48.83
CS(=O)(=O)NC1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130814	0	46	-1.0	-63.22	407.66	1.83	-61.39
O=C([O-])COCCOCCNC(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL000000130815	0	47	-1.0	-59.39	414.68	2.40	-56.98
CNS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000130816	0	40	-1.0	-57.80	368.99	-1.23	-59.03
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000130816	1	39	-2.0	-98.35	365.98	-1.69	-100.04
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)NC2=CC=CC=C21	REAL000000130817	0	44	-1.0	-72.39	377.41	3.93	-68.46
CC1=C(S(N)(=O)=O)C=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000130818	0	40	-1.0	-61.88	364.95	-1.68	-63.55
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1S(N)(=O)=O	REAL000000130819	0	43	-1.0	-64.91	374.58	0.24	-64.68
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL000000130820	0	42	-2.0	-123.03	373.92	3.79	-119.25
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC2=CC(F)=CC=C12	REAL000000130821	0	41	-1.0	-54.68	365.85	6.63	-48.05
O=C([O-])COCCOCCNC(=O)C1=CC=NC(N2CCCC2)=N1	REAL000000130822	0	45	-1.0	-56.53	377.36	4.49	-52.03
COC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000130825	0	42	-1.0	-57.58	362.16	5.40	-52.18
CCC1=NC2=CC=CC=C2N1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000130826	0	47	-1.0	-63.26	396.61	6.63	-56.63
O=C([O-])COCCOCCNC(=O)CC1=NC(C2=CC=C(F)C=C2)=CS1	REAL000000130827	0	44	-1.0	-61.60	399.86	6.03	-55.57
O=C([O-])COCCOCCNC(=O)C1=NC(C2=CC=CC=C2)=CS1	REAL000000130828	0	41	-1.0	-61.71	371.26	5.25	-56.46
CCC1=CSC(CC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000130829	0	40	-1.0	-59.93	358.09	3.71	-56.22
O=C([O-])COCCOCCNC(=O)CCCC1=NC=CS1	REAL000000130830	0	40	-1.0	-59.82	358.04	3.93	-55.89
CC1=CSC(CCCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000130831	0	43	-1.0	-60.16	379.84	4.53	-55.63
CC(=O)NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1F	REAL000000130832	0	42	-1.0	-58.72	366.48	3.57	-55.15
CC(=O)NC1=CC=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130833	0	45	-1.0	-59.04	377.93	4.13	-54.92
CC1(C)CCCCC1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000130834	0	50	-1.0	-54.76	376.91	6.15	-48.61
CN1C(=O)NC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C21	REAL000000130835	0	42	-1.0	-60.36	363.69	3.42	-56.93
CC1(C)CCC(CC(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000130836	0	50	-1.0	-54.82	384.16	6.42	-48.40
CC(C(=O)NCCOCCOCC(=O)[O-])C1CCOCC1	REAL000000130837	0	45	-1.0	-54.64	356.75	3.62	-51.02
CC(C)CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(=O)N1	REAL000000130838	0	47	-1.0	-61.97	392.38	4.03	-57.93
CC(C)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(=O)N1	REAL000000130839	0	44	-1.0	-61.88	371.39	3.49	-58.40
CC(C)C1=NC=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000130840	0	40	-1.0	-56.09	356.35	3.80	-52.29
O=C([O-])COCCOCCNC(=O)C1=CC(F)=C([O-])C(F)=C1	REAL000000130841	0	35	-2.0	-101.59	325.56	2.63	-98.96
O=C([O-])COCCOCCNC(=O)C(F)=CC1CCCCC1	REAL000000130842	0	45	-1.0	-52.40	371.62	6.20	-46.19
COCC1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130843	0	45	-1.0	-57.94	385.42	4.94	-53.00
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2C=CN=N2)C=C1	REAL000000130844	0	41	-1.0	-62.79	359.08	4.37	-58.42
O=C([O-])COCCOCCNC(=O)CN1C=CC(=O)C([N+](=O)[O-])=C1	REAL000000130845	0	40	-1.0	-75.25	362.53	5.77	-69.48
O=C([O-])COCCOCCNC(=O)C1=CC=CN2C(=O)NN=C12	REAL000000130846	0	38	-1.0	-59.77	336.50	3.21	-56.56
CC(C)(C)S(=O)(=O)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000130847	0	43	-1.0	-69.39	367.14	1.27	-68.12
CC(=O)NC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000130848	0	45	-1.0	-58.88	373.29	4.30	-54.58
O=C([O-])COCCOCCNC(=O)C12C3C(=O)C4C1C1CC4C3C12	REAL000000130849	0	44	-1.0	-55.78	360.44	5.64	-50.14
COC(=O)C1=CN(CC(=O)NCCOCCOCC(=O)[O-])N=N1	REAL000000130850	0	40	-1.0	-65.43	362.32	1.82	-63.61
CSC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1F	REAL000000130851	0	39	-1.0	-55.91	351.66	5.61	-50.30
CCCCS(=O)(=O)NCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130852	0	45	-1.0	-65.52	391.30	0.22	-65.31
CN1N=NC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C21	REAL000000130853	0	40	-1.0	-58.59	348.74	3.14	-55.46
CC1=CC=CC=C1C1(C(=O)NCCOCCOCC(=O)[O-])CCC1	REAL000000130854	0	48	-1.0	-56.29	386.57	7.18	-49.11
COCC1=NC(C)=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000130855	0	41	-1.0	-56.82	365.51	2.07	-54.75
O=C([O-])COCCOCCNC(=O)C1=CC2=C(C=N1)OCCC2	REAL000000130856	0	42	-1.0	-56.91	356.62	3.46	-53.45
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1CC(C)C	REAL000000130857	0	47	-1.0	-57.50	382.29	4.74	-52.75
CC(C)(CC(=O)NCCOCCOCC(=O)[O-])C(F)(F)F	REAL000000130858	0	40	-1.0	-51.83	338.48	4.38	-47.45
NC1=C(F)C=C(Cl)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130859	0	37	-1.0	-52.43	338.51	3.38	-49.05
O=C([O-])COCCOCCNC(=O)CC1=CC2=NNC=C2C=C1	REAL000000130860	0	41	-1.0	-66.33	356.60	3.91	-62.41
CC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])C(C2CC2)=N1	REAL000000130861	0	43	-1.0	-55.08	364.75	4.85	-50.23
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C(C)(C)C)=N1	REAL000000130862	0	47	-1.0	-58.04	379.72	4.67	-53.37
CCOCCC1(C(=O)NCCOCCOCC(=O)[O-])CCCC1	REAL000000130863	0	51	-1.0	-54.81	404.91	5.33	-49.47
O=C([O-])COCCOCCNC(=O)CC1=CN=CN1CC1=CC=CC=C1	REAL000000130864	0	48	-1.0	-63.01	405.25	7.90	-55.10
CC(C)N1CCOC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000130865	1	47	-1.0	-57.40	375.18	2.36	-55.05
COC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])N=C1	REAL000000130866	0	41	-1.0	-60.02	353.38	2.86	-57.16
CN1N=CC2=C1CC(C(=O)NCCOCCOCC(=O)[O-])CC2	REAL000000130867	0	45	-1.0	-57.28	370.83	4.59	-52.69
O=C([O-])COCCOCCNC(=O)C1CCN(CC(F)F)CC1	REAL000000130868	0	46	-1.0	-57.11	369.45	2.86	-54.25
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(CC2CC2)=N1	REAL000000130869	0	44	-1.0	-55.28	384.94	5.35	-49.93
CC(C)CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000130870	0	44	-1.0	-57.64	373.58	4.69	-52.95
COC1=CN=C2C=CC=CC2=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130871	0	44	-1.0	-60.09	378.51	3.99	-56.10
CC(OC1=C2C=CC=CC2=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130872	0	48	-1.0	-61.32	401.76	7.99	-53.33
O=C([O-])COCCOCCNC(=O)CCCC1=CC=C2C=CC=CC2=C1	REAL000000130873	0	50	-1.0	-59.04	419.37	9.04	-50.00
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130874	0	51	-1.0	-59.87	424.58	6.62	-53.25
COC1=CC=C(CCCC(=O)NCCOCCOCC(=O)[O-])C(OC)=C1	REAL000000130875	0	52	-1.0	-60.49	431.05	5.49	-55.00
CC(CC(=O)NCCOCCOCC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL000000130876	0	47	-1.0	-56.40	402.64	7.72	-48.68
CCN(CC(=O)NCCOCCOCC(=O)[O-])CC1=CC=CC=C1Cl	REAL000000130877	0	49	-1.0	-57.71	415.28	5.62	-52.08
O=C([O-])COCCOCCNC(=O)C1COCCN1CC(F)(F)F	REAL000000130878	0	44	-1.0	-54.08	362.53	0.81	-53.27
CC(=O)NCC1CCN2N=CC(C(=O)NCCOCCOCC(=O)[O-])=C2C1	REAL000000130879	0	52	-1.0	-65.07	429.39	3.01	-62.06
CC(C)NC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130880	0	48	-1.0	-59.12	404.26	4.51	-54.61
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1NC1CCCCC1	REAL000000130881	0	53	-1.0	-55.64	416.92	7.10	-48.54
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)C=C1Br	REAL000000130882	0	41	-1.0	-53.67	361.23	6.43	-47.24
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1	REAL000000130883	0	47	-1.0	-61.01	402.53	8.49	-52.52
CC1=CSC2=NC=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)N12	REAL000000130884	0	40	-1.0	-63.04	355.80	4.43	-58.61
O=C([O-])COCCOCCNC(=O)COC1=CC=C2CCCCC2=C1	REAL000000130885	0	49	-1.0	-59.64	402.00	7.63	-52.01
CN(C)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=C2C=CC=CC2=N1	REAL000000130886	0	48	-1.0	-58.66	395.92	6.56	-52.10
CC1=CC=C(C2=NNC(C(=O)NCCOCCOCC(=O)[O-])=C2)C=C1C	REAL000000130887	0	48	-1.0	-57.00	405.55	5.78	-51.22
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130888	0	50	-1.0	-60.01	425.60	8.10	-51.91
O=C([O-])COCCOCCNC(=O)C1=CNN=C1C1=CC=C(Cl)S1	REAL000000130889	0	39	-1.0	-59.55	369.99	4.31	-55.23
O=C([O-])COCCOCCNC(=O)C1=C(C2=CC=C(Cl)S2)NN=C1	REAL000000130889	1	39	-1.0	-55.92	370.36	4.23	-51.70
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=C(Cl)S2)=N1	REAL000000130890	0	42	-1.0	-60.42	392.86	5.63	-54.80
O=C([O-])COCCOCCNC(=O)C1=CC=C(C(=O)NC2CC2)C=C1	REAL000000130891	0	46	-1.0	-60.86	393.75	4.56	-56.31
CC(C)(C)C(NS(C)(=O)=O)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130892	0	48	-1.0	-70.38	397.69	0.79	-69.59
CCC1(C(=O)NCCOCCOCC(=O)[O-])CCOCC1	REAL000000130893	0	45	-1.0	-55.76	351.99	3.32	-52.44
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130894	0	44	-1.0	-72.43	385.34	5.60	-66.83
NC1=C(Cl)C=CC(C(=O)NCCOCCOCC(=O)[O-])=C1Cl	REAL000000130895	0	37	-1.0	-55.79	345.31	3.59	-52.20
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl	REAL000000130896	0	44	-1.0	-60.13	389.90	6.94	-53.18
O=C([O-])COCCOCCNC(=O)C1=CNN=C1C1=CSC=C1	REAL000000130897	0	39	-1.0	-60.06	352.20	3.57	-56.48
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1N1C=NN=N1	REAL000000130898	0	44	-1.0	-61.65	381.05	4.29	-57.36
O=C([O-])COCCOCCNC(=O)CC(=O)NCC(F)(F)F	REAL000000130899	0	38	-1.0	-63.56	347.24	2.60	-60.96
CNS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000130900	0	42	-1.0	-59.41	378.33	-1.18	-60.59
CN(C)S(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000130901	0	45	-1.0	-59.03	397.32	0.65	-58.38
O=C([O-])COCCOCCNC(=O)C1CC12CCS(=O)(=O)CC2	REAL000000130902	0	45	-1.0	-66.80	380.17	2.08	-64.72
CS(=O)(=O)C1(C(=O)NCCOCCOCC(=O)[O-])CCC1	REAL000000130903	0	41	-1.0	-55.40	353.50	1.02	-54.38
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CN=CN=C2)C=C1F	REAL000000130904	0	43	-1.0	-62.16	374.33	6.08	-56.07
O=C([O-])COCCOCCNC(=O)CC1=CC2=C(C=CC3=CC=CC=C23)O1	REAL000000130905	0	47	-1.0	-62.90	404.86	8.02	-54.87
CC1=CC(N2CC(C(=O)NCCOCCOCC(=O)[O-])CC2=O)=CC=C1F	REAL000000130906	0	49	-1.0	-59.67	411.27	6.22	-53.45
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CSC(C2=CC=CS2)=N1	REAL000000130907	0	47	-1.0	-62.45	419.47	6.75	-55.70
CC1=C(Br)C=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)N1	REAL000000130908	0	38	-1.0	-61.58	347.21	2.86	-58.72
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=NC(C(F)(F)F)=N1	REAL000000130909	0	39	-1.0	-54.25	360.45	3.60	-50.65
CC(C)CN1N=CC(C(=O)NCCOCCOCC(=O)[O-])=C1C(F)F	REAL000000130910	0	47	-1.0	-54.90	398.24	5.34	-49.56
O=C([O-])COCCOCCNC(=O)C1=COC(C2CCOCC2)=N1	REAL000000130911	0	45	-1.0	-55.93	381.62	0.76	-55.16
CCC1=NC(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)=NN1	REAL000000130912	0	47	-1.0	-60.60	404.21	5.89	-54.71
CC(C)(CC(=O)NCCOCCOCC(=O)[O-])CC(=O)C1=CC=CC=C1	REAL000000130913	0	52	-1.0	-62.03	415.87	7.67	-54.36
CCSC1=CC(Cl)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130914	0	42	-1.0	-56.19	379.62	6.93	-49.26
CCOC1=CC=C(C(C)(C)C(=O)NCCOCCOCC(=O)[O-])C=C1OCC	REAL000000130915	0	58	-1.0	-59.49	463.42	7.25	-52.24
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000130916	0	47	-1.0	-59.21	411.64	5.26	-53.95
CCN1N=CC=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000130917	0	42	-1.0	-57.30	364.65	4.24	-53.07
CCC1CC(C(=O)NCCOCCOCC(=O)[O-])CCO1	REAL000000130918	0	45	-1.0	-55.23	364.55	3.99	-51.24
CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=NN1CC1=CC=C(F)C=C1F	REAL000000130919	0	47	-1.0	-58.53	407.76	5.10	-53.43
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CC=C2)=NO1	REAL000000130920	0	47	-1.0	-56.80	407.10	7.01	-49.78
CCOC1=CC=CC=C1C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130921	0	52	-1.0	-59.42	435.75	8.56	-50.87
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=CC=C1OC	REAL000000130922	0	52	-1.0	-61.20	433.06	6.31	-54.89
CCN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C(F)(F)F)=N1	REAL000000130923	0	41	-1.0	-62.98	366.65	4.14	-58.84
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(SC2=CC=CC=C2)=C1	REAL000000130924	0	49	-1.0	-59.72	423.23	9.31	-50.41
CC1=CC=C(SC2CCCC2)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130925	0	52	-1.0	-58.51	424.57	8.89	-49.62
COCCCS(=O)(=O)NCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130926	0	46	-1.0	-67.61	403.47	-1.51	-69.12
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=CC=C1Cl	REAL000000130927	0	48	-1.0	-59.13	418.76	7.50	-51.63
CCC1=NN(C)C(Cl)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000130928	0	41	-1.0	-56.49	371.68	3.92	-52.57
COC1=CC=CC=C1N1N=CC(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000130929	0	49	-1.0	-61.80	412.83	5.65	-56.15
O=C([O-])COCCOCCNC(=O)C1=C(C2=CC=CC=C2)SC=N1	REAL000000130930	0	41	-1.0	-57.66	369.75	5.37	-52.28
CN(C)C1=C2C=CC=CC2=NC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130931	0	48	-1.0	-57.40	403.29	4.83	-52.57
O=C([O-])COCCOCCNC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1	REAL000000130932	0	49	-1.0	-61.73	417.75	6.57	-55.16
CC1=C(Br)C=CC=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000130933	0	41	-1.0	-57.21	365.21	6.22	-50.98
CC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1Br	REAL000000130934	0	41	-1.0	-55.90	369.85	6.41	-49.49
COC1=CC=C2N=C(C3CC3)C=C(C(=O)NCCOCCOCC(=O)[O-])C2=C1	REAL000000130935	0	51	-1.0	-60.41	421.02	6.27	-54.14
O=C([O-])COCCOCCNC(=O)C1=CC2=C(N=C(N3CCCC3)S2)S1	REAL000000130936	0	46	-1.0	-55.89	409.95	4.92	-50.96
O=C([O-])COCCOCCNC(=O)CC1=CC=C(Br)C(F)=C1	REAL000000130937	0	38	-1.0	-58.14	357.36	5.88	-52.26
COC1=CC=C2C=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C2=C1	REAL000000130938	0	48	-1.0	-62.72	402.36	6.64	-56.07
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL000000130939	0	45	-1.0	-61.91	384.45	5.87	-56.04
O=C([O-])COCCOCCNC(=O)CCC1=NC(C2CCCC2)=NO1	REAL000000130940	0	49	-1.0	-55.79	408.90	4.01	-51.78
O=C([O-])COCCOCCNC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1	REAL000000130941	0	46	-1.0	-57.76	411.16	7.90	-49.86
O=C([O-])COCCOCCNC(=O)C1=CC(F)=C(F)C(F)=C1F	REAL000000130942	0	35	-1.0	-55.44	329.12	4.82	-50.62
O=C([O-])COCCOCCNC(=O)C1=C(O)C=C2C=CC=CC2=C1	REAL000000130943	0	42	-1.0	-59.71	360.60	5.35	-54.36
O=C([O-])COCCOCCNC(=O)C1=C([O-])C=C2C=CC=CC2=C1	REAL000000130943	1	41	-2.0	-121.88	357.03	6.36	-115.52
O=C([O-])COCCOCCNC(=O)C1C2=CC=CC=C2OC2=CC=CC=C21	REAL000000130944	0	47	-1.0	-59.53	395.31	7.72	-51.81
CCN(CC)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130945	0	49	-1.0	-57.61	400.62	6.84	-50.77
CN(C)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130946	0	43	-1.0	-58.09	356.82	4.94	-53.15
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130947	0	45	-1.0	-56.49	382.35	6.52	-49.97
COC(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC([N+](=O)[O-])=C1	REAL000000130948	0	43	-1.0	-56.69	388.66	5.87	-50.82
COC1=CC=C(C(=O)NCC(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL000000130949	0	50	-1.0	-58.98	423.31	2.30	-56.69
CC(C)(C)C1=CC=C(C(=O)NCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130950	0	54	-1.0	-56.35	440.81	5.38	-50.97
O=C([O-])COCCOCCNC(=O)CNC(=O)C1=CC=CC(Cl)=C1	REAL000000130951	0	42	-1.0	-56.56	381.43	3.55	-53.01
CC1=CC(C)=CC(C(=O)NCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130952	0	48	-1.0	-57.07	407.51	4.39	-52.68
CCOC1=CC=CC=C1C(=O)NCC(=O)NCCOCCOCC(=O)[O-]	REAL000000130953	0	49	-1.0	-60.42	413.88	4.54	-55.88
O=C([O-])COCCOCCNC(=O)CNC(=O)C1=CC=CC(F)=C1	REAL000000130954	0	42	-1.0	-57.09	371.11	3.11	-53.98
COC1=CC=CC(C(=O)NCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130955	0	46	-1.0	-58.83	394.18	2.35	-56.48
CCOC1=CC=C(C(=O)NCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130956	0	49	-1.0	-56.94	415.96	3.29	-53.64
CC1=CC(C(=O)NCC(=O)NCCOCCOCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL000000130957	0	47	-1.0	-56.69	408.84	4.23	-52.46
CCOC(=O)C1=C(C)NC(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000130958	0	48	-1.0	-59.62	410.43	5.21	-54.41
COC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1O	REAL000000130959	0	40	-1.0	-61.57	343.77	2.87	-58.70
COC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130960	0	41	-1.0	-56.82	360.48	5.20	-51.62
COC(=O)C1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000130961	0	45	-1.0	-58.47	395.01	6.38	-52.09
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(O)=C1	REAL000000130962	0	40	-1.0	-58.32	343.95	2.43	-55.90
CC1=CC(C)=C(C(=O)NCCOCCOCC(=O)[O-])C(C)=C1	REAL000000130963	0	44	-1.0	-56.26	369.85	6.14	-50.11
CC(C)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(O)C(C(C)C)=C1	REAL000000130964	0	54	-1.0	-56.89	433.27	7.00	-49.89
COC(=O)C1=C(C)NC(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000130965	0	45	-1.0	-59.75	388.57	4.28	-55.47
O=C([O-])COCCOCCNC(=O)C1=CC=C2N=CC=NC2=C1	REAL000000130966	0	39	-1.0	-61.00	341.75	2.98	-58.02
CCOC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(Cl)=C1O	REAL000000130967	0	43	-1.0	-55.83	383.76	3.19	-52.64
CCOC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(Cl)=C1[O-]	REAL000000130967	1	42	-2.0	-102.67	380.20	4.11	-98.57
O=C([O-])COCCOCCNC(=O)CNC(=O)C1=CC=CC=C1OC(F)F	REAL000000130968	0	46	-1.0	-59.99	401.78	3.87	-56.12
O=C([O-])COCCOCCNC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21	REAL000000130969	0	47	-1.0	-75.76	416.55	1.53	-74.22
O=C([O-])COCCOCCNC(=O)C1=CC2=NNN=C2C=C1	REAL000000130970	0	37	-1.0	-58.17	325.54	1.82	-56.35
O=C([O-])COCCOCCNC(=O)C1=CC=C2NN=NC2=C1	REAL000000130970	1	37	-1.0	-60.40	326.66	1.72	-58.68
COC1=CC=CC(C2=NC(C)=C(C(=O)NCCOCCOCC(=O)[O-])N2)=C1	REAL000000130971	0	49	-1.0	-59.74	414.99	4.91	-54.83
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CC=N2)=NO1	REAL000000130972	0	43	-1.0	-60.47	383.16	4.61	-55.86
O=C([O-])COCCOCCNC(=O)C1=NC=CC=C1OC1=CC=CC=C1	REAL000000130973	0	45	-1.0	-60.89	389.14	6.78	-54.10
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130974	0	43	-2.0	-97.15	377.68	1.35	-95.80
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000130974	1	44	-1.0	-52.25	378.86	2.59	-49.66
O=C([O-])COCCOCCNC(=O)C1CCCC2=C1C=CS2	REAL000000130975	0	42	-1.0	-55.46	360.19	5.92	-49.54
COC1=CC=C(F)C(C(=O)NCCOCCOCC(=O)[O-])=C1OC	REAL000000130976	0	43	-1.0	-62.54	377.22	3.96	-58.58
O=C([O-])COCCOCCNC(=O)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL000000130977	0	39	-1.0	-55.77	371.93	4.30	-51.47
O=C([O-])COCCOCCNC(=O)C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1	REAL000000130978	0	50	-1.0	-57.29	409.66	4.80	-52.48
O=C([O-])COCCOCCNC(=O)CCCC1=CC=CC(C(F)(F)F)=C1	REAL000000130979	0	47	-1.0	-58.80	412.31	7.80	-51.00
O=C([O-])COCCOCCNC(=O)CCCC1=CC(F)=CC=C1F	REAL000000130980	0	44	-1.0	-58.08	385.11	6.91	-51.17
O=C([O-])COCCOCCNC(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1	REAL000000130981	0	53	-1.0	-58.38	437.85	9.20	-49.18
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1COC1CCOCC1	REAL000000130982	0	53	-1.0	-56.55	428.55	5.74	-50.81
O=C([O-])COCCOCCNC(=O)C1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL000000130983	0	45	-1.0	-55.43	395.54	7.24	-48.19
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(OCCC(C)C)=C1	REAL000000130984	0	55	-1.0	-60.46	444.84	7.49	-52.97
O=C([O-])COCCOCCNC(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1	REAL000000130985	0	51	-1.0	-61.88	436.46	6.71	-55.17
CCCOC1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130986	0	48	-1.0	-59.52	403.21	6.26	-53.26
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=C(OC)C=C1	REAL000000130987	0	52	-1.0	-58.76	432.87	6.12	-52.64
CC1=CC=C(CC2=NC(C(=O)NCCOCCOCC(=O)[O-])=CS2)C=C1	REAL000000130988	0	47	-1.0	-57.37	417.73	6.69	-50.68
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000130989	0	47	-1.0	-62.62	406.73	4.80	-57.82
O=C([O-])COCCOCCNC(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1	REAL000000130990	0	44	-1.0	-57.20	402.73	6.09	-51.11
CCCN1N=CC(C(=O)NCCOCCOCC(=O)[O-])=C1C1CC1	REAL000000130991	0	48	-1.0	-57.01	398.00	5.83	-51.18
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1CCCCC1	REAL000000130992	0	51	-1.0	-57.05	410.33	6.24	-50.81
CCCCN1N=CC(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000130993	0	47	-1.0	-57.40	391.11	5.19	-52.21
CCCCN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C)=N1	REAL000000130994	0	47	-1.0	-59.25	393.39	5.30	-53.94
CCC(C)N1N=CC(C(=O)NCCOCCOCC(=O)[O-])=C1C1CC1	REAL000000130995	0	51	-1.0	-57.25	416.20	6.35	-50.90
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C(CC)CC	REAL000000130996	0	53	-1.0	-57.19	424.71	6.45	-50.74
O=C([O-])COCCOCCNC(=O)C1=CC=C2C=CC=CC2=C1O	REAL000000130997	0	42	-1.0	-60.09	359.50	5.40	-54.69
O=C([O-])COCCOCCNC(=O)C1=CC=C2C=CC=CC2=C1[O-]	REAL000000130997	1	41	-2.0	-120.08	355.94	6.41	-113.67
CC(C)(C)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(C(C)(C)C)=C1O	REAL000000130998	0	60	-1.0	-56.22	456.08	7.30	-48.92
O=C([O-])COCCOCCNC(=O)C1CC2=CC=CC=C2C(=O)O1	REAL000000130999	0	42	-1.0	-61.67	364.83	6.25	-55.42
NS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131000	0	40	-1.0	-60.62	359.85	-0.50	-61.12
CCOC(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC([N+](=O)[O-])=C1	REAL000000131001	0	46	-1.0	-56.32	410.52	6.79	-49.52
COC1=CC=C(O)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131002	0	40	-1.0	-57.83	344.03	2.40	-55.43
CC(C)(OC1=CC=C(F)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131003	0	45	-1.0	-56.89	372.01	6.08	-50.81
CC1=C(C(=O)OC(C)C)C(C)=C(C(=O)NCCOCCOCC(=O)[O-])N1	REAL000000131004	0	51	-1.0	-59.80	430.67	5.92	-53.88
CCC1=C(C(=O)OC)C(C)=C(C(=O)NCCOCCOCC(=O)[O-])N1	REAL000000131005	0	48	-1.0	-59.24	410.23	5.03	-54.21
O=C([O-])COCCOCCNC(=O)CNC(=O)C1=CC=C(F)C=C1F	REAL000000131006	0	42	-1.0	-57.34	375.65	3.19	-54.15
O=C([O-])COCCOCCNC(=O)C1=CC(N2CCCC2)=CC=N1	REAL000000131007	0	46	-1.0	-56.45	381.90	3.41	-53.03
CN(CC(=O)NCCOCCOCC(=O)[O-])C1CCS(=O)(=O)C1	REAL000000131008	0	46	-1.0	-64.13	384.02	-0.73	-64.86
CNC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C)=NS1	REAL000000131009	0	39	-1.0	-53.59	351.16	1.62	-51.97
CC1=NC(C2=CC=CS2)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131010	0	44	-1.0	-56.32	386.47	6.12	-50.20
CC1=CC=CC([N+](=O)[O-])=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131011	0	40	-1.0	-70.40	353.78	5.85	-64.55
CN1C=C(S(N)(=O)=O)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131012	0	41	-1.0	-63.59	367.36	-1.14	-64.73
NS(=O)(=O)C1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131013	0	44	-1.0	-61.77	394.44	0.69	-61.08
CC(C)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=NO1	REAL000000131014	0	40	-1.0	-55.19	348.66	4.06	-51.13
CC(C)(C)C(Br)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131015	0	40	-1.0	-53.43	342.75	4.44	-48.99
CC1CN(C2=CC=NC(C(=O)NCCOCCOCC(=O)[O-])=C2)CC(C)O1	REAL000000131016	0	53	-1.0	-57.48	429.68	3.17	-54.31
CC1=NC(C(=O)NCCOCCOCC(=O)[O-])=NN1C1=NNC=N1	REAL000000131017	0	40	-1.0	-68.37	357.81	5.88	-62.49
CC1=NC(COC2=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C2)=NO1	REAL000000131018	0	47	-1.0	-64.97	408.55	3.35	-61.62
COC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000131019	0	38	-1.0	-55.67	354.89	4.33	-51.34
COC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000131020	0	40	-1.0	-56.44	356.45	3.40	-53.04
CC1=NN(C)C(=O)C(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000131021	0	43	-1.0	-58.49	358.43	3.21	-55.28
COC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])N=C1	REAL000000131022	0	40	-1.0	-55.75	357.90	3.47	-52.28
CCOC1=CC(Cl)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131023	0	42	-1.0	-58.19	371.62	6.55	-51.64
C=CCOC1=CC(OC)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131024	0	47	-1.0	-60.80	397.18	5.94	-54.86
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(OC(C)C)=C1	REAL000000131025	0	49	-1.0	-60.86	402.21	5.98	-54.89
C=CCOC1=CC=CN=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131026	0	42	-1.0	-61.63	365.21	4.90	-56.74
O=C([O-])COCCOCCNC(=O)CC1=CC=CC(OCC(F)(F)F)=C1	REAL000000131027	0	45	-1.0	-60.98	401.29	5.91	-55.07
CNC(=O)COC1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131028	0	49	-1.0	-70.74	420.38	4.08	-66.66
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1CCC(C)C	REAL000000131029	0	50	-1.0	-57.24	408.68	5.70	-51.54
CC(C)CC1=CC=CC(C(C)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131030	0	53	-1.0	-55.59	427.49	8.45	-47.13
CC(C)CC1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131031	0	53	-1.0	-55.01	432.90	8.70	-46.31
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(OCC2CC2)=C1	REAL000000131032	0	50	-1.0	-61.12	415.95	6.96	-54.16
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(OC(F)F)=C1	REAL000000131033	0	43	-1.0	-61.05	372.18	4.71	-56.34
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(OCC(C)C)=C1	REAL000000131034	0	52	-1.0	-60.60	425.88	6.84	-53.77
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL000000131035	0	45	-1.0	-58.21	393.79	6.21	-52.00
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=NN1C1=CC=C(C)C=C1	REAL000000131036	0	48	-1.0	-59.34	408.79	6.82	-52.53
CC(C)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=NN1C1=CC=CC=C1	REAL000000131037	0	51	-1.0	-59.27	423.38	7.24	-52.03
COC1=CC=C(N2N=C(C(=O)NCCOCCOCC(=O)[O-])C=C2C)C=C1	REAL000000131038	0	49	-1.0	-59.58	416.87	5.46	-54.12
CN(C)C(=O)C1(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000131039	0	42	-1.0	-56.15	355.18	2.79	-53.36
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C(C)C	REAL000000131041	0	44	-1.0	-57.49	368.71	4.35	-53.14
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1	REAL000000131042	0	44	-1.0	-58.87	395.12	5.20	-53.67
O=C([O-])COCCOCCNC(=O)C1=CC(N2CCCC2=O)=CC=C1Cl	REAL000000131043	0	46	-1.0	-64.14	395.53	6.19	-57.95
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131044	0	47	-1.0	-62.48	408.70	1.92	-60.56
O=C([O-])COCCOCCNC(=O)C1=C(OC(F)F)C=C2C=CC=CC2=C1	REAL000000131045	0	45	-1.0	-60.82	388.72	7.64	-53.18
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131046	0	46	-1.0	-60.03	396.98	7.03	-53.00
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL000000131047	0	44	-1.0	-54.68	377.83	5.12	-49.56
CCCOC1=CC(OC)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131048	0	49	-1.0	-60.60	405.78	6.17	-54.43
O=C([O-])COCCOCCNC(=O)C(O)C1CCCCC1	REAL000000131049	0	45	-1.0	-55.29	357.55	2.60	-52.69
O=C([O-])COCCOCCNC(=O)C1=CC(F)=C(F)C=C1F	REAL000000131050	0	35	-1.0	-55.20	322.96	4.76	-50.44
O=C([O-])COCCOCCNC(=O)C1=CC=C(F)C(Cl)=C1	REAL000000131051	0	35	-1.0	-55.48	328.30	5.11	-50.36
O=C([O-])COCCOCCNC(=O)C1=C(F)C=CC(F)=C1F	REAL000000131052	0	35	-1.0	-61.16	328.30	4.55	-56.61
O=C([O-])COCCOCCNC(=O)C1=CC(F)=C(Cl)C=C1F	REAL000000131053	0	35	-1.0	-55.04	332.84	5.19	-49.85
COC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1[N+](=O)[O-]	REAL000000131054	0	41	-1.0	-71.72	362.18	5.72	-66.00
O=C([O-])COCCOCCNC(=O)C1=CC([N+](=O)[O-])=NN1	REAL000000131055	0	34	-1.0	-55.97	318.04	2.71	-53.26
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1Br	REAL000000131056	0	38	-1.0	-54.76	345.18	5.74	-49.02
O=C([O-])COCCOCCNC(=O)C1=CC=CC(Cl)=C1F	REAL000000131057	0	35	-1.0	-60.85	326.46	5.13	-55.72
CC1=CC(C)=C(CC(=O)NCCOCCOCC(=O)[O-])C(C)=C1	REAL000000131058	0	47	-1.0	-56.99	385.85	6.92	-50.07
CC1=CC(Cl)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131059	0	38	-1.0	-53.71	338.52	5.74	-47.96
O=C([O-])COCCOCCNC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL000000131060	0	37	-1.0	-68.55	350.04	5.75	-62.80
O=C([O-])COCCOCCNC(=O)CC1=CC=C(F)C=C1Cl	REAL000000131061	0	38	-1.0	-57.77	351.00	5.72	-52.05
O=C([O-])COCCOCCNC(=O)CC1=CC=CC(OC(F)(F)F)=C1	REAL000000131062	0	42	-1.0	-57.77	376.36	5.00	-52.76
O=C([O-])COCCOCCNC(=O)C1=CC=C(F)C(Cl)=C1F	REAL000000131063	0	35	-1.0	-58.94	332.29	5.18	-53.76
COC(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131064	0	41	-1.0	-62.58	360.50	5.20	-57.38
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1	REAL000000131065	0	38	-1.0	-57.63	339.66	5.74	-51.89
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1F	REAL000000131066	0	39	-1.0	-56.55	341.42	3.93	-52.61
O=C([O-])COCCOCCNC(=O)C1=C([N+](=O)[O-])C=NN1	REAL000000131067	0	34	-1.0	-59.61	311.31	2.65	-56.96
O=C([O-])COCCOCCNC(=O)C1=NNC=C1[N+](=O)[O-]	REAL000000131067	1	34	-1.0	-64.93	312.34	2.62	-62.30
O=C([O-])COCCOCCNC(=O)C1=CC=C(Cl)C(Br)=C1	REAL000000131068	0	35	-1.0	-55.18	341.82	5.62	-49.56
O=C([O-])COCCOCCNC(=O)C1=CC=C2C=C(Br)C=CC2=C1	REAL000000131069	0	41	-1.0	-55.95	373.05	7.41	-48.55
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1OC(F)(F)F	REAL000000131070	0	39	-1.0	-59.47	349.55	5.60	-53.87
CN1N=CC(C(=O)NCCOCCOCC(=O)[O-])=C1C1=CC=CC=C1	REAL000000131071	0	45	-1.0	-58.62	379.48	5.55	-53.07
O=C([O-])COCCOCCNC(=O)C1=CC=C(Cl)C(F)=C1	REAL000000131072	0	35	-1.0	-55.63	328.30	5.11	-50.52
O=C([O-])COCCOCCNC(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL000000131073	0	38	-1.0	-57.59	352.61	6.10	-51.49
O=C([O-])COCCOCCNC(=O)CC1=CSC2=CC=C(Cl)C=C12	REAL000000131074	0	41	-1.0	-58.63	383.49	7.07	-51.55
O=C([O-])COCCOCCNC(=O)CC1=CC(F)=CC=C1Br	REAL000000131075	0	38	-1.0	-56.16	354.97	5.79	-50.37
O=C([O-])COCCOCCNC(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL000000131076	0	35	-2.0	-105.31	330.01	2.68	-102.63
O=C([O-])COCCOCCNC(=O)C1=NC=CC=C1Br	REAL000000131077	0	34	-1.0	-57.55	319.24	3.44	-54.10
O=C([O-])COCCOCCNC(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL000000131078	0	38	-1.0	-53.60	349.98	5.60	-48.00
O=C([O-])COCCOCCNC(=O)C1=CC=CN=C1C(F)(F)F	REAL000000131079	0	37	-1.0	-62.13	332.36	3.91	-58.22
O=C([O-])COCCOCCNC(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL000000131080	0	38	-1.0	-57.82	342.28	5.65	-52.17
COCCOC(=O)C1=C(C)NC(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000131081	0	52	-1.0	-60.80	444.07	4.42	-56.38
O=C([O-])COCCOCCNC(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL000000131082	0	39	-1.0	-56.17	351.70	4.34	-51.83
CC1=C(Cl)C=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131083	0	38	-1.0	-55.71	335.64	5.66	-50.05
O=C([O-])COCCOCCNC(=O)C1=C(Cl)C=CS1	REAL000000131084	0	32	-1.0	-56.76	311.58	4.05	-52.70
CCS(=O)(=O)NCC(=O)NCCOCCOCC(=O)[O-]	REAL000000131085	0	39	-1.0	-65.77	348.30	-1.37	-67.14
COCC(=O)N(C)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000131086	0	42	-1.0	-69.18	361.22	2.50	-66.68
O=C([O-])COCCOCCNC(=O)COC1=CC=CC=C1Br	REAL000000131087	0	39	-1.0	-61.06	359.69	5.78	-55.28
CC1CN(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=N2)CC(C)O1	REAL000000131088	0	53	-1.0	-56.65	429.77	4.29	-52.36
CC(C)CC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131089	0	51	-1.0	-56.00	421.39	8.41	-47.59
CC(NC(=O)CC(C)(C)C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131090	0	50	-1.0	-53.75	402.06	3.48	-50.28
CCN1C=C(C2=NNC=C2C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000131091	0	45	-1.0	-64.10	387.15	3.21	-60.89
CCN1C=C(C2=C(C(=O)NCCOCCOCC(=O)[O-])C=NN2)C=N1	REAL000000131091	1	45	-1.0	-61.10	387.85	3.12	-57.99
CCN1C=C(C2=NN(C)C=C2C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000131092	0	48	-1.0	-64.87	409.98	4.52	-60.35
CC(C)COC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1Cl	REAL000000131093	0	47	-1.0	-54.72	412.35	4.26	-50.47
CC(C)C(C(=O)NCCOCCOCC(=O)[O-])N1CCCS1(=O)=O	REAL000000131094	0	49	-1.0	-61.84	402.38	2.66	-59.18
O=C([O-])COCCOCCNC(=O)C1=NOC(COC2=CC=CC=C2F)=C1	REAL000000131095	0	45	-1.0	-62.15	402.47	5.32	-56.82
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COC1=CC=C(Br)C(CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131155	0	42	-1.0	-57.06	377.52	5.01	-52.05
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CCOC(=O)C1(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000131166	0	41	-1.0	-54.10	352.56	4.86	-49.24
CN(C)C1=CC=NC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131167	0	42	-1.0	-57.85	354.77	3.24	-54.61
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COC1=CC=C(C(=O)N2CCCC2C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131169	0	53	-1.0	-71.00	433.12	5.49	-65.51
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CC1=CC(Br)=CC=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000131172	0	41	-1.0	-55.99	368.81	6.37	-49.62
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CO[C@@H](C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000131195	0	42	-1.0	-57.58	362.16	5.40	-52.18
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O=C([O-])COCCOCCNC(=O)C1=CC=C(CCC(F)(F)F)C=C1	REAL000000131209	0	44	-1.0	-57.53	388.25	7.13	-50.40
CC1=CC=C(S(N)(=O)=O)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131210	0	43	-1.0	-63.81	369.77	1.56	-62.25
COCC1=NC(C(=O)NCCOCCOCC(=O)[O-])=C(C2=CC=CC=C2)S1	REAL000000131211	0	48	-1.0	-57.95	425.35	5.12	-52.83
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=CC(Br)=C1F	REAL000000131212	0	35	-1.0	-55.96	347.60	5.74	-50.22
CCN1N=CC2=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N=C21	REAL000000131213	0	46	-1.0	-57.80	388.27	5.24	-52.56
O=C([O-])COCCOCCNC(=O)C(F)C1=CC=C(C(F)(F)F)C=C1	REAL000000131214	0	41	-1.0	-55.49	372.86	6.25	-49.24
O=C([O-])COCCOCCNC(=O)CN1C=NC(C2=CC=CC=C2)=N1	REAL000000131215	0	44	-1.0	-66.26	386.48	6.97	-59.29
COCC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=CC=C1	REAL000000131216	0	49	-1.0	-59.76	413.45	5.36	-54.40
COC1=CC=C(OCC(=O)NCCOCCOCC(=O)[O-])C=C1C	REAL000000131217	0	46	-1.0	-60.17	388.83	5.18	-54.99
CN(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(F)=C1	REAL000000131218	0	43	-1.0	-61.45	362.46	5.06	-56.40
CC(=O)NC1=CC=CC=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000131219	0	45	-1.0	-58.70	383.56	4.32	-54.38
CC1=CC=C(Cl)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131220	0	38	-1.0	-54.01	338.53	5.74	-48.27
CC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1Cl	REAL000000131221	0	38	-1.0	-58.17	336.98	5.65	-52.52
CC1=CC(OCC(=O)NCCOCCOCC(=O)[O-])=CC(C)=C1Cl	REAL000000131222	0	45	-1.0	-58.43	393.44	6.82	-51.61
CC(=O)NC1=CC=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131223	0	42	-1.0	-62.32	374.64	3.97	-58.36
CC1=CC=C2C=C(C(=O)NCCOCCOCC(=O)[O-])C=CC2=N1	REAL000000131224	0	43	-1.0	-58.38	368.41	5.54	-52.84
COC1=CC=C(F)C=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000131225	0	42	-1.0	-57.57	365.07	4.65	-52.92
O=C([O-])COCCOCCNC(=O)C1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL000000131226	0	37	-1.0	-56.36	346.33	5.60	-50.77
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131227	0	45	-1.0	-55.48	382.57	6.51	-48.96
COC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1F	REAL000000131228	0	39	-1.0	-64.03	339.56	3.95	-60.08
CC1=NC(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)=CS1	REAL000000131229	0	44	-1.0	-59.64	389.99	5.97	-53.66
COC1=CC=C(C2=NNC(C(=O)NCCOCCOCC(=O)[O-])=C2)C=C1	REAL000000131230	0	46	-1.0	-57.23	396.63	3.89	-53.34
COC1=CC=CC(C2=NNC(C(=O)NCCOCCOCC(=O)[O-])=C2)=C1	REAL000000131231	0	46	-1.0	-58.34	396.70	3.88	-54.46
CC1CCN(CC(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000131232	1	46	-1.0	-55.67	366.60	3.29	-52.38
O=C([O-])COCCOCCNC(=O)CCC(=O)NC1CCCC1	REAL000000131233	0	48	-1.0	-56.66	395.47	3.56	-53.09
CC(C)[C@H]1CC[C@H](C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000131234	0	50	-1.0	-54.42	387.42	6.55	-47.88
O=C([O-])COCCOCCNC(=O)C1=NOC(C2=CC=C(F)C=C2)=C1	REAL000000131235	0	41	-1.0	-54.94	370.77	5.63	-49.31
CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=NN1CC1=CC=C(F)C=C1	REAL000000131236	0	47	-1.0	-59.88	407.05	5.16	-54.72
CN1C=NC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C21	REAL000000131237	0	41	-1.0	-64.81	354.03	5.88	-58.94
O=C([O-])COCCOCCNC(=O)C1=CC=NC=C1C(F)(F)F	REAL000000131238	0	37	-1.0	-58.60	331.43	3.79	-54.82
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=NNC=N2)C=C1	REAL000000131239	0	41	-1.0	-61.69	360.77	5.42	-56.27
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=NN=CN2)C=C1	REAL000000131239	1	41	-1.0	-64.42	359.22	5.75	-58.67
CC1=C(CC(=O)NCCOCCOCC(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL000000131240	0	43	-1.0	-62.83	369.82	6.22	-56.61
O=C([O-])COCCOCCNC(=O)C1=NC=CC=C1C(F)(F)F	REAL000000131241	0	37	-1.0	-59.99	333.26	3.86	-56.13
O=C([O-])COCCOCCNC(=O)C1=CN=CC(C(F)(F)F)=C1	REAL000000131242	0	37	-1.0	-54.78	339.84	3.74	-51.04
CN1N=C2C=CC=CC2=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131243	0	41	-1.0	-56.53	357.61	4.36	-52.17
O=C([O-])COCCOCCNC(=O)C1=CN=C2C=CC(F)=CC2=C1	REAL000000131244	0	40	-1.0	-55.78	353.45	4.97	-50.80
O=C([O-])COCCOCCNC(=O)C1=CSC(C(F)(F)F)=N1	REAL000000131245	0	34	-1.0	-54.95	333.98	2.66	-52.29
CC1=CC(CCC(=O)NCCOCCOCC(=O)[O-])=CC(C)=C1	REAL000000131246	0	47	-1.0	-55.41	394.57	7.36	-48.04
CN1C(=O)OC2=C(C(=O)NCCOCCOCC(=O)[O-])C=CC=C21	REAL000000131247	0	41	-1.0	-70.49	359.41	5.00	-65.49
CCOC(=O)C1=C2N=CC=C(C(=O)NCCOCCOCC(=O)[O-])N2N=C1	REAL000000131248	0	46	-1.0	-61.32	404.34	5.39	-55.93
NC(=O)C1=C2N=CC=C(C(=O)NCCOCCOCC(=O)[O-])N2N=C1	REAL000000131249	0	41	-1.0	-64.82	362.87	0.54	-64.29
CC(C)COC1=CC=CC(OCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131250	0	52	-1.0	-61.55	432.22	6.86	-54.69
CC(=O)C1=C(C)NC(C(=O)NCCOCCOCC(=O)[O-])=C1C(C)C	REAL000000131251	0	50	-1.0	-58.96	409.83	5.26	-53.70
NS(=O)(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CO1	REAL000000131252	0	37	-1.0	-63.33	345.70	-2.48	-65.81
CN(C)S(=O)(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CO1	REAL000000131253	0	43	-1.0	-61.76	387.12	0.58	-61.18
CNS(=O)(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CO1	REAL000000131254	0	40	-1.0	-62.56	368.13	-1.26	-63.81
C[N-]S(=O)(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CO1	REAL000000131254	1	39	-2.0	-104.87	365.12	-1.71	-106.59
CC1=NOC(C)=C1C(C)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000131255	0	46	-1.0	-55.61	376.90	5.08	-50.53
CC1=CC=C(F)C(C(=O)NCCOCCOCC(=O)[O-])=C1Br	REAL000000131256	0	38	-1.0	-59.01	353.95	5.54	-53.47
CCC1=NN=C(C)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131257	0	42	-1.0	-56.21	352.76	3.67	-52.53
O=C([O-])COCCOCCNC(=O)C1CCCN(CC(F)(F)F)C1	REAL000000131258	0	46	-1.0	-57.22	375.95	2.94	-54.28
CC(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL000000131259	0	46	-1.0	-60.87	390.74	7.05	-53.82
CC(C)(COCC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131260	0	51	-1.0	-55.22	422.14	6.71	-48.51
CC1=NC(C(=O)NCCOCCOCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL000000131261	0	44	-1.0	-58.58	383.20	3.68	-54.90
CC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131262	0	45	-1.0	-59.66	385.53	6.40	-53.26
O=C([O-])COCCOCCNC(=O)C1=CC(CC2=CC=CC=C2)=NN1	REAL000000131263	0	45	-1.0	-56.52	390.83	5.36	-51.17
CS(=O)(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000131264	0	38	-1.0	-62.79	359.83	1.06	-61.72
O=C([O-])COCCOCCNC(=O)C1=C(C(=O)C2=CC=CC=C2)N=CN1	REAL000000131265	0	44	-1.0	-68.12	380.03	7.62	-60.50
O=C([O-])COCCOCCNC(=O)CC1CC(C2=CC=CC=C2)C1	REAL000000131266	0	48	-1.0	-56.01	395.08	7.81	-48.21
O=C([O-])COCCOCCNC(=O)C1=C2CCCCN2N=C1	REAL000000131268	0	42	-1.0	-58.08	349.82	3.93	-54.15
COC(=O)C1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131269	0	47	-1.0	-58.59	406.57	6.67	-51.92
CCOC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1Cl	REAL000000131270	0	41	-1.0	-55.02	370.75	2.76	-52.25
O=C([O-])COCCOCCNC(=O)C1=C2N=CC=CC2=CC(F)=C1	REAL000000131271	0	40	-1.0	-62.26	351.21	5.42	-56.84
O=C([O-])COCCOCCNC(=O)C1=C2N=CC=CC2=C([N+](=O)[O-])C=C1	REAL000000131272	0	42	-1.0	-61.35	369.86	5.91	-55.44
CCC(CC)N1C=CC(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000131273	0	47	-1.0	-58.52	389.94	5.22	-53.31
CC(CCC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000131274	0	47	-1.0	-56.89	387.53	7.17	-49.72
O=C([O-])COCCOCCNC(=O)C1=CNC(=O)C2=CC=CC=C12	REAL000000131275	0	41	-1.0	-60.45	351.62	3.78	-56.66
O=C([O-])COCCOCCNC(=O)C1CCC(=O)C2=CC=CC=C21	REAL000000131276	0	44	-1.0	-58.36	369.68	6.12	-52.25
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1Cl	REAL000000131277	0	39	-1.0	-55.89	351.22	4.41	-51.48
CC1=CSC(C(=O)NCCOCCOCC(=O)[O-])=C1Cl	REAL000000131278	0	35	-1.0	-56.75	331.44	4.68	-52.07
CCN1C=C([N+](=O)[O-])C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000131279	0	40	-1.0	-65.37	356.45	4.84	-60.53
CC1=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=NN1C	REAL000000131280	0	42	-1.0	-59.71	362.07	4.01	-55.70
CC1=CC=C2C(C(=O)NCCOCCOCC(=O)[O-])=CSC2=C1	REAL000000131281	0	41	-1.0	-58.17	361.50	6.53	-51.64
CC1=CC=CC(C)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000131282	0	44	-1.0	-56.73	364.45	6.26	-50.46
O=C([O-])COCCOCCNC(=O)C1=CC=C2N=CC=NC2=N1	REAL000000131283	0	38	-1.0	-60.76	339.04	2.10	-58.67
O=C([O-])COCCOCCNC(=O)C1=NN(C2CCCC2)C=C1	REAL000000131284	0	45	-1.0	-57.97	374.12	4.98	-52.99
O=C([O-])COCCOCCNC(=O)C1=CC=NN1C1CCCC1	REAL000000131285	0	45	-1.0	-55.54	370.71	5.20	-50.35
O=C([O-])COCCOCCNC(=O)C1=CC=C2C=CNC2=N1	REAL000000131286	0	38	-1.0	-59.23	334.15	3.88	-55.35
O=C([O-])COCCOCCNC(=O)C1=CN=C(C(F)(F)F)N=C1	REAL000000131287	0	36	-1.0	-54.28	336.42	2.94	-51.34
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=CC=C2)C=N1	REAL000000131288	0	41	-1.0	-63.61	362.15	6.23	-57.38
CN1N=CC=C1COCC(=O)NCCOCCOCC(=O)[O-]	REAL000000131289	0	42	-1.0	-63.59	365.66	3.30	-60.28
CC1=C(C)NC(=O)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000131290	0	40	-1.0	-69.77	345.75	2.24	-67.52
CC1=NC(C(=O)NCCOCCOCC(=O)[O-])=C(C)S1	REAL000000131291	0	37	-1.0	-56.38	331.96	3.06	-53.32
NS(=O)(=O)C1=C2C=CN=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=C1	REAL000000131292	0	45	-1.0	-59.85	393.37	0.03	-59.82
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131293	0	47	-1.0	-63.84	400.40	3.46	-60.38
CC1=CC(S(C)(=O)=O)=CC(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000131294	0	47	-1.0	-60.54	399.33	3.30	-57.24
CN1C=NN(CC(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000131295	0	38	-1.0	-70.03	338.95	3.67	-66.37
CC(=O)N(CCC1=CC=CC=C1)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000131296	0	51	-1.0	-61.56	425.84	6.86	-54.70
CC(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1C	REAL000000131297	0	43	-1.0	-56.64	362.26	5.63	-51.00
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(Cl)=C1Br	REAL000000131298	0	38	-1.0	-53.24	359.97	6.19	-47.05
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131299	0	45	-1.0	-61.62	397.91	7.09	-54.53
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1CCOCC1	REAL000000131300	0	49	-1.0	-58.25	401.28	3.84	-54.41
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CN=C1	REAL000000131301	0	43	-1.0	-60.37	356.43	4.33	-56.04
CCC(CC)N1N=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C	REAL000000131302	0	50	-1.0	-59.38	411.38	5.89	-53.48
COC1=CC=C(SC)C(OC)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131303	0	47	-1.0	-63.47	410.30	4.41	-59.06
CCS(=O)(=O)C1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131304	0	47	-1.0	-68.51	412.51	3.64	-64.87
CCC1=CC=CC=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000131305	0	44	-1.0	-56.43	366.09	6.36	-50.06
CC1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=C1Cl	REAL000000131306	0	41	-1.0	-58.50	363.32	6.23	-52.26
O=C([O-])COCCOCCNC(=O)C1=C(C(F)(F)F)SC=N1	REAL000000131307	0	34	-1.0	-59.17	333.39	2.47	-56.70
O=C([O-])COCCOCCNC(=O)C(C1=CC=CC=C1)C1CC1	REAL000000131308	0	45	-1.0	-55.10	379.88	7.17	-47.92
CC1=CC(Cl)=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131309	0	38	-1.0	-54.56	343.86	5.73	-48.83
CC(C(=O)NCCOCCOCC(=O)[O-])C1=C(F)C=CC=C1F	REAL000000131310	0	41	-1.0	-57.79	353.63	5.78	-52.00
O=C([O-])COCCOCCNC(=O)C1=CN2C=NC=C2C=C1	REAL000000131311	1	38	-1.0	-57.16	332.67	5.95	-51.20
CC1=CSC(CCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000131312	0	40	-1.0	-55.45	358.34	3.75	-51.70
O=C([O-])COCCOCCNC(=O)C1=NN=C2C=CC=CC2=N1	REAL000000131313	0	38	-1.0	-63.39	339.99	2.85	-60.55
CCC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(=O)N1	REAL000000131314	0	41	-1.0	-62.63	353.58	2.79	-59.84
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=C1NC(=O)C=C2	REAL000000131315	0	41	-1.0	-67.20	352.18	3.97	-63.24
CN1N=NC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CN=C21	REAL000000131316	0	39	-1.0	-58.13	344.74	2.19	-55.94
COC(=O)C1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131317	0	44	-1.0	-63.42	385.17	5.87	-57.55
CN1N=CC([N+](=O)[O-])=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131318	0	37	-1.0	-54.09	339.56	2.82	-51.27
COC(=O)[C@H]1CC[C@H](C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000131319	0	47	-1.0	-58.19	386.17	5.43	-52.76
COC1=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=CC=C1F	REAL000000131320	0	43	-1.0	-57.92	375.96	5.12	-52.80
O=C([O-])COCCOCCNC(=O)C1=CC=CC(C2=NNC=N2)=C1	REAL000000131321	0	41	-1.0	-65.20	360.85	5.42	-59.78
O=C([O-])COCCOCCNC(=O)C1=CC=CC(C2=NN=CN2)=C1	REAL000000131321	1	41	-1.0	-69.89	359.34	5.75	-64.14
CN1C=NC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CN=C21	REAL000000131322	0	40	-1.0	-62.66	349.11	5.05	-57.61
CC1=CC(Cl)=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C	REAL000000131323	0	41	-1.0	-57.57	357.32	6.31	-51.26
CC1=C(C)N2C(=NC=C(C(=O)NCCOCCOCC(=O)[O-])C2=O)S1	REAL000000131324	0	43	-1.0	-62.38	376.77	5.21	-57.17
CC(C)OC1=CN=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131325	0	44	-1.0	-55.34	370.24	3.64	-51.70
CCC(CC)N1N=C(C)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131326	0	50	-1.0	-55.84	408.90	5.94	-49.90
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131327	0	50	-1.0	-59.13	420.80	5.61	-53.52
CN1C=NC(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)=N1	REAL000000131328	0	44	-1.0	-62.50	383.79	6.65	-55.85
O=C([O-])COCCOCCNC(=O)C1=C(C2CCCC2)N=CS1	REAL000000131329	0	44	-1.0	-55.97	374.12	4.95	-51.01
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C)N2N=CN=C2N1C	REAL000000131330	0	47	-1.0	-60.56	388.21	7.59	-52.97
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(F)=C1Cl	REAL000000131332	0	38	-1.0	-60.73	345.14	5.72	-55.01
CC1=CC(C)=C(Br)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131333	0	41	-1.0	-57.19	361.58	6.42	-50.78
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=CC(F)=C1Br	REAL000000131334	0	35	-1.0	-54.14	344.43	5.74	-48.40
NC1=CC=CC([N+](=O)[O-])=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131335	0	39	-1.0	-59.47	347.64	3.20	-56.27
CC(C)CC1=CC=C([C@H](C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131336	0	53	-1.0	-55.58	427.44	8.45	-47.13
CCNC1=CC=C(Cl)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131337	0	43	-1.0	-54.07	373.63	5.06	-49.01
O=C([O-])COCCOCCNC(=O)C1=CC(OCC2=CC=CC=C2)=CC=C1O	REAL000000131338	0	50	-1.0	-59.88	425.79	6.36	-53.52
O=C([O-])COCCOCCNC(=O)C1=NOC2=C1CCCCC2	REAL000000131339	0	44	-1.0	-56.29	359.16	4.99	-51.30
CC1=CC(=O)N(CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131340	0	41	-1.0	-71.24	355.98	4.49	-66.75
CC(CC1=CC=CC=C1Cl)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131341	0	44	-1.0	-57.28	381.01	6.91	-50.37
CC1CCN(C(=O)C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000131342	0	45	-1.0	-53.46	364.81	3.47	-49.99
CC1CCCN(C(=O)C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000131343	0	45	-1.0	-53.51	364.90	3.44	-50.07
O=C([O-])COCCOCCNC(=O)CC1=CC=C(Cl)S1	REAL000000131344	0	35	-1.0	-55.17	337.62	4.96	-50.21
O=C([O-])COCCOCCNC(=O)C1=CC=NC(OCC(F)(F)F)=C1	REAL000000131345	0	41	-1.0	-58.16	374.54	2.65	-55.51
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2CCCO2)S1	REAL000000131346	0	42	-1.0	-58.33	371.42	2.72	-55.62
COCC1=C(C(=O)NCCOCCOCC(=O)[O-])SC=N1	REAL000000131347	0	38	-1.0	-58.53	343.56	1.34	-57.19
O=C([O-])COCCOCCNC(=O)C1(CC2=CC=CC=C2F)CC1	REAL000000131348	0	45	-1.0	-59.10	380.75	7.94	-51.16
CC1=C(C(=O)NCCOCCOCC(=O)[O-])OC(C2CC2)=N1	REAL000000131349	0	41	-1.0	-55.28	355.99	2.35	-52.93
O=C([O-])COCCOCCNC(=O)CCCC1CCOCC1	REAL000000131350	0	48	-1.0	-56.16	385.17	4.61	-51.55
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2CCC2)C=C1	REAL000000131351	0	45	-1.0	-56.07	371.44	7.15	-48.92
COC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000131352	0	38	-1.0	-54.67	346.92	3.37	-51.30
COC1=CC=CC(CCC(=O)NCCOCCOCC(=O)[O-])=C1F	REAL000000131353	0	45	-1.0	-57.97	386.52	5.38	-52.59
CNC1=NC(C)=CC(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000131354	0	41	-1.0	-56.19	356.78	3.72	-52.47
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])SC=N1	REAL000000131355	0	37	-1.0	-55.60	331.38	3.03	-52.56
O=C([O-])COCCOCCNC(=O)C1=NC2=CC=CN=C2S1	REAL000000131356	0	36	-1.0	-61.03	335.13	2.09	-58.94
O=C([O-])COCCOCCNC(=O)C1=C2C=NC=CN2N=C1	REAL000000131357	0	37	-1.0	-59.53	328.19	2.44	-57.09
O=C([O-])COCCOCCNC(=O)C1=CC2=NNN=C2N=C1	REAL000000131358	0	36	-1.0	-57.91	320.61	1.12	-56.79
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=NN2N=C1	REAL000000131359	0	37	-1.0	-63.65	328.82	2.56	-61.09
NC(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CO1	REAL000000131360	0	36	-1.0	-63.48	327.24	-0.66	-64.14
O=C([O-])COCCOCCNC(=O)C1COCCN1CC(F)F	REAL000000131361	0	44	-1.0	-54.28	360.35	0.85	-53.43
CC1=C(C)C=C2C(C(=O)NCCOCCOCC(=O)[O-])=COC2=C1	REAL000000131362	0	44	-1.0	-61.06	373.42	6.12	-54.94
CC1=CC2=C(C=C1C)C(C(=O)NCCOCCOCC(=O)[O-])CO2	REAL000000131363	0	46	-1.0	-57.88	381.61	5.45	-52.43
O=C([O-])COCCOCCNC(=O)C1=CN=CC(N2C=CN=N2)=C1	REAL000000131364	0	40	-1.0	-64.48	353.31	2.65	-61.83
O=C([O-])COCCOCCNC(=O)C1=C2C=NC=CC2=NC=C1	REAL000000131365	0	39	-1.0	-58.82	336.97	3.11	-55.71
COC(C(=O)NCCOCCOCC(=O)[O-])C1=CN(C)N=C1	REAL000000131366	0	42	-1.0	-65.57	366.22	3.12	-62.45
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1CCCC1	REAL000000131367	0	47	-1.0	-55.14	361.34	5.72	-49.42
CC1(C(=O)NCCOCCOCC(=O)[O-])CCCCCC1	REAL000000131368	0	47	-1.0	-54.89	355.18	5.66	-49.24
O=C([O-])COCCOCCNC(=O)C1=CC2=CC(F)=CC=C2OC1	REAL000000131369	0	41	-1.0	-56.01	358.06	5.12	-50.89
CC(C)(C)C1=CN=C(CCC(=O)NCCOCCOCC(=O)[O-])O1	REAL000000131370	0	49	-1.0	-56.44	410.24	3.51	-52.93
CSC1=CC=CC=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000131371	0	42	-1.0	-58.60	367.82	6.13	-52.46
CCC1=NN(C)C(CC)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000131372	0	50	-1.0	-61.06	415.23	5.49	-55.58
O=C([O-])COCCOCCNC(=O)CC1=CC=C2CC(=O)NC2=C1	REAL000000131373	0	43	-1.0	-59.19	372.32	3.66	-55.52
O=C([O-])COCCOCCNC(=O)C1=CC=NC(C2CC2)=C1	REAL000000131375	0	41	-1.0	-56.52	350.67	4.83	-51.69
COC(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=N1	REAL000000131376	0	40	-1.0	-61.20	356.67	3.40	-57.80
NC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000131377	0	36	-1.0	-56.07	328.60	-0.59	-56.66
CC1=NC(C)=C(C(=O)NCCOCCOCC(=O)[O-])N=C1C	REAL000000131378	0	42	-1.0	-56.39	352.88	2.72	-53.67
CC1(CC(=O)NCCOCCOCC(=O)[O-])CCCCC1	REAL000000131379	0	47	-1.0	-53.71	358.13	5.77	-47.94
COCCN1C=CC(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000131380	0	42	-1.0	-58.56	366.33	2.25	-56.30
CC1=CC(Br)=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131381	0	38	-1.0	-54.48	348.43	5.83	-48.64
O=C([O-])COCCOCCNC(=O)C1=CC=CC(Br)=C1Cl	REAL000000131382	0	35	-1.0	-58.04	337.64	5.63	-52.41
O=C([O-])COCCOCCNC(=O)C1=C(C2=CC=C(F)C=C2)OC=N1	REAL000000131383	0	41	-1.0	-57.21	367.61	2.99	-54.22
COC1=CC=C(CC(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131384	0	48	-1.0	-55.61	396.66	5.81	-49.80
COC1=CC=C(C(C)(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131385	0	48	-1.0	-57.33	390.87	5.47	-51.86
CCC1(C(=O)NCCOCCOCC(=O)[O-])CCCCC1	REAL000000131386	0	47	-1.0	-55.28	360.75	5.67	-49.61
O=C([O-])COCCOCCNC(=O)C1CCC2CCCCC2C1	REAL000000131387	0	51	-1.0	-54.89	386.79	6.98	-47.91
CCOC(=O)C(C)(C)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000131388	0	46	-1.0	-53.59	379.07	5.06	-48.53
O=C([O-])COCCOCCNC(=O)C1=C(C2=CC=CC=C2)N=NN1	REAL000000131389	0	41	-1.0	-56.89	357.41	3.19	-53.70
O=C([O-])COCCOCCNC(=O)C1=NNN=C1C1=CC=CC=C1	REAL000000131389	1	41	-1.0	-55.73	356.66	3.10	-52.63
CC1=CC=C(CC(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131390	0	47	-1.0	-55.23	388.53	7.17	-48.06
CC(CCCC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131391	0	50	-1.0	-55.76	410.92	8.12	-47.64
CCC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(F)C=C1	REAL000000131392	0	44	-1.0	-55.37	372.77	6.45	-48.92
CC(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000131393	0	41	-1.0	-55.40	360.71	5.71	-49.69
CN(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])N=C1	REAL000000131394	0	42	-1.0	-58.09	354.46	3.21	-54.88
CC1(C)CCCC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000131395	0	47	-1.0	-55.13	365.50	5.72	-49.41
CC1=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=CC(C)=C1	REAL000000131396	0	45	-1.0	-56.34	383.07	7.07	-49.27
O=C([O-])COCCOCCNC(=O)C1CCCC2CCCCC21	REAL000000131397	0	51	-1.0	-54.34	388.64	7.07	-47.28
CNC(=O)CCCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000131398	0	44	-1.0	-59.86	372.95	2.13	-57.73
CC(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1Cl	REAL000000131399	0	44	-1.0	-56.32	379.54	6.89	-49.43
O=C([O-])COCCOCCNC(=O)C1=CC=CC(N2C=CN=N2)=C1	REAL000000131400	0	41	-1.0	-68.86	358.12	4.45	-64.41
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1N1C=CN=N1	REAL000000131401	0	41	-1.0	-65.96	357.12	4.90	-61.06
CC(CC1=CC=CC(Cl)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131402	0	44	-1.0	-53.93	383.86	7.01	-46.92
CC1=CSC(C(=O)NCCOCCOCC(=O)[O-])=C1Br	REAL000000131403	0	35	-1.0	-56.15	334.95	4.77	-51.38
CC(C)(C(=O)NCCOCCOCC(=O)[O-])S(=O)(=O)C1CC1	REAL000000131404	0	44	-1.0	-69.77	374.86	2.17	-67.60
O=C([O-])COCCOCCNC(=O)CC1=CC(F)=C(Cl)C=C1[N+](=O)[O-]	REAL000000131405	0	40	-1.0	-55.78	373.60	6.12	-49.66
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131406	0	45	-1.0	-58.70	391.94	6.46	-52.23
CN1C=C(OC2=CC=CC=C2C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000131407	0	46	-1.0	-64.05	396.44	6.34	-57.71
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131408	0	45	-1.0	-62.19	393.39	6.53	-55.66
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CN=C2)CC1	REAL000000131409	0	41	-1.0	-55.51	351.73	4.46	-51.05
CN(C)C1=CC=CC(CCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131410	0	49	-1.0	-56.27	402.88	6.41	-49.86
O=C([O-])COCCOCCNC(=O)C1COCCN1C1CCCC1	REAL000000131411	0	51	-1.0	-55.26	393.62	2.37	-52.89
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=NOC(C(F)F)=N2)C=C1	REAL000000131412	0	43	-1.0	-59.65	391.01	4.15	-55.51
CCOC1=C(Cl)C=CC=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000131413	0	45	-1.0	-61.01	398.07	6.11	-54.90
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL000000131415	0	42	-2.0	-117.99	380.33	3.85	-114.14
O=C([O-])COCCOCCNC(=O)CC(O)C1=CC=CC(F)=C1	REAL000000131416	0	42	-1.0	-58.03	365.05	3.81	-54.22
NC(C(=O)NCCOCCOCC(=O)[O-])C1=C(F)C=CC=C1F	REAL000000131419	0	40	-1.0	-54.69	351.70	2.39	-52.30
O=C([O-])COCCOCCNC(=O)C(O)CC1=CC=CC(C(F)(F)F)=C1	REAL000000131420	0	45	-1.0	-57.22	400.21	4.94	-52.28
NC1=CC=C(CC2=NC(C(=O)NCCOCCOCC(=O)[O-])=CS2)C=C1	REAL000000131423	0	46	-1.0	-58.11	411.41	3.89	-54.22
CC(=O)NC1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131425	0	45	-1.0	-63.10	386.73	4.11	-58.99
O=C([O-])COCCOCCNC(=O)CC1=CC=C(N2C=NN=C2)C=C1	REAL000000131426	0	44	-1.0	-62.13	381.28	8.21	-53.92
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C(Br)O1	REAL000000131427	0	35	-1.0	-53.54	330.69	4.07	-49.47
C=CCCN1C=C(C(=O)NCCOCCOCC(=O)[O-])N=N1	REAL000000131428	0	41	-1.0	-57.30	362.68	3.03	-54.27
C=CCC1(C(=O)NCCOCCOCC(=O)[O-])CCOCC1	REAL000000131429	0	46	-1.0	-55.67	361.32	4.29	-51.37
COC(=O)N1CC2CCC1C(C(=O)NCCOCCOCC(=O)[O-])C2	REAL000000131431	0	50	-1.0	-57.89	398.28	4.43	-53.46
COC(=O)N1CC2C=CC1C(C(=O)NCCOCCOCC(=O)[O-])C2	REAL000000131432	0	48	-1.0	-66.40	390.89	5.29	-61.11
O=C([O-])COCCOCCNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	REAL000000131434	0	48	-1.0	-51.82	376.94	6.41	-45.42
O=C([O-])COCCOCCNC(=O)C1=CC=C2C=CN=CC2=N1	REAL000000131435	0	39	-1.0	-57.20	344.06	3.22	-53.98
CC1=C2OC=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=C1	REAL000000131436	0	41	-1.0	-60.82	355.84	5.55	-55.27
CCC(CC1=CC=CC=C1C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131437	0	50	-1.0	-56.27	397.27	7.67	-48.60
CC1=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=NN1C	REAL000000131438	0	38	-1.0	-60.21	345.42	3.32	-56.88
CS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000131439	0	38	-1.0	-60.38	360.46	1.14	-59.24
CC(C)(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])N=C1	REAL000000131440	0	46	-1.0	-55.76	379.44	5.13	-50.63
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131441	0	43	-1.0	-56.28	368.83	6.53	-49.75
CN1N=C(CC(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL000000131442	0	44	-1.0	-64.08	380.30	5.08	-59.00
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1N1C=CC=N1	REAL000000131443	0	45	-1.0	-60.13	379.59	6.68	-53.45
O=C([O-])COCCOCCNC(=O)C1=CC=C(OCC2=CC=NC=C2)C=C1	REAL000000131444	0	48	-1.0	-59.42	411.78	6.07	-53.35
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2	REAL000000131445	0	49	-1.0	-63.51	419.01	7.53	-55.98
CC1=C(Br)C=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000131446	0	35	-1.0	-55.16	339.01	4.89	-50.28
O=C([O-])COCCOCCNC(=O)C1(OC2=CC=CC=C2)CC1	REAL000000131447	0	43	-1.0	-54.29	364.94	5.58	-48.72
O=C([O-])COCCOCCNC(=O)C1(C2=C(F)C=CC=C2F)CCC1	REAL000000131448	0	45	-1.0	-56.73	378.28	6.94	-49.79
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CC1=CC=C(C)C(S(=O)(=O)NCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131458	0	49	-1.0	-62.05	420.60	2.52	-59.54
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CS(=O)(=O)NC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1Cl	REAL000000131466	0	43	-1.0	-62.71	393.72	1.84	-60.87
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CC1CCN2N=CC(C(=O)NCCOCCOCC(=O)[O-])=C2C1	REAL000000131468	0	45	-1.0	-57.91	370.61	4.54	-53.37
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=CC(Cl)=C2S1	REAL000000131469	0	38	-1.0	-56.30	361.19	6.45	-49.85
CC1=NC=CC(CCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000131470	0	42	-1.0	-57.59	362.77	4.01	-53.59
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CN1N=C(C2CC2)N=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000131472	0	44	-1.0	-65.14	379.80	4.70	-60.45
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CC1(C(=O)NCCOCCOCC(=O)[O-])CCC2=CC=CC=C21	REAL000000131475	0	45	-1.0	-54.94	370.26	6.81	-48.13
CC1=CC=C(C2(C(=O)NCCOCCOCC(=O)[O-])CCC2)C=C1	REAL000000131476	0	48	-1.0	-57.62	394.36	7.50	-50.12
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC=C2F)CCC1	REAL000000131477	0	45	-1.0	-61.80	377.94	6.83	-54.97
CC1=CC=C2C=C(Cl)C=C(C(=O)NCCOCCOCC(=O)[O-])C2=N1	REAL000000131478	0	43	-1.0	-62.95	383.09	6.47	-56.48
CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=NN1C1=CC=C(F)C(F)=C1	REAL000000131479	0	44	-1.0	-55.88	392.33	4.87	-51.01
CC(C)CN1N=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131480	0	44	-1.0	-55.67	368.38	4.68	-50.99
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O=C([O-])COCCOCCNC(=O)C1CCC2=CC(Br)=CC=C21	REAL000000131482	0	42	-1.0	-54.11	369.06	7.16	-46.95
O=C([O-])COCCOCCNC(=O)CC1=CC=C2OCCCC2=C1	REAL000000131483	0	46	-1.0	-58.10	384.06	5.84	-52.26
O=C([O-])COCCOCCNC(=O)CN1N=NN=C1C1=CSC=C1	REAL000000131484	0	40	-1.0	-59.44	364.43	3.10	-56.34
O=C([O-])COCCOCCNC(=O)CC1=C2C=CC=CN2N=C1	REAL000000131486	0	41	-1.0	-61.23	358.10	5.02	-56.21
O=C([O-])COCCOCCNC(=O)C1=NN2CCOCC2=C1	REAL000000131487	0	40	-1.0	-59.70	344.06	1.56	-58.13
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CCCC1=CC=C(CCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131489	0	53	-1.0	-56.92	437.64	9.01	-47.90
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CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1N1CCOCC1	REAL000000131492	0	51	-1.0	-56.07	413.25	4.78	-51.28
O=C([O-])COCCOCCNC(=O)C1=CN(C2CCC2)N=N1	REAL000000131493	0	41	-1.0	-56.84	352.28	2.85	-53.98
CC1(CC(=O)NCCOCCOCC(=O)[O-])CC1(F)Cl	REAL000000131494	0	38	-1.0	-52.32	340.87	4.77	-47.55
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131495	0	47	-1.0	-55.02	380.25	6.18	-48.84
COC1=CC=CC(NCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131496	0	44	-1.0	-57.55	372.73	2.84	-54.71
C[C@H](NC(=O)C1=CC=CO1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131497	0	42	-1.0	-57.08	368.49	1.90	-55.18
CC(C)(C)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131498	0	47	-1.0	-56.90	381.88	6.88	-50.02
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CS(=O)(=O)N1CCC(CC(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000131502	0	49	-1.0	-63.54	404.59	1.96	-61.59
CC1=NN(CC(=O)NCCOCCOCC(=O)[O-])C(=O)N1C	REAL000000131503	0	41	-1.0	-69.57	359.98	3.54	-66.04
O=C([O-])COCCOCCNC(=O)CC1OCC2=CC=CC=C21	REAL000000131504	0	43	-1.0	-58.07	364.83	5.17	-52.89
COC1=CC=C2CCCC(C(=O)NCCOCCOCC(=O)[O-])C2=C1	REAL000000131505	0	49	-1.0	-57.69	396.98	6.37	-51.32
COC1=CN2N=CC(C(=O)NCCOCCOCC(=O)[O-])=C2C=C1	REAL000000131506	0	42	-1.0	-59.51	362.59	3.53	-55.99
O=C([O-])COCCOCCNC(=O)CCC1CCCCCC1	REAL000000131507	0	50	-1.0	-54.78	384.44	6.64	-48.14
O=C([O-])COCCOCCNC(=O)C1CCCS1(=O)=O	REAL000000131508	0	38	-1.0	-68.18	332.75	0.22	-67.96
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C2OC(F)(F)OC2=C1	REAL000000131509	0	42	-1.0	-57.68	379.87	4.84	-52.84
CN(C)C1=NC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1Cl	REAL000000131510	0	42	-1.0	-54.62	373.73	3.79	-50.83
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131511	0	48	-1.0	-56.06	407.56	6.31	-49.76
CC1=CC=CC(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])N2C)=C1	REAL000000131512	0	49	-1.0	-57.49	404.98	7.83	-49.66
O=C([O-])COCCOCCNC(=O)[C@@H]1CCO[C@H]1C1=CC=NC=C1	REAL000000131513	0	45	-1.0	-56.20	378.31	3.72	-52.49
O=C([O-])COCCOCCNC(=O)C1CCC2=CC=CC=C2C1	REAL000000131514	0	45	-1.0	-55.07	369.83	6.91	-48.17
O=C([O-])COCCOCCNC(=O)COCCC1=CC=CC(F)=C1	REAL000000131515	0	45	-1.0	-58.49	392.74	6.45	-52.04
CC(COCC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000131516	0	48	-1.0	-58.26	403.14	6.92	-51.34
O=C([O-])COCCOCCNC(=O)C=CC1CCCCCC1	REAL000000131517	0	48	-1.0	-54.78	379.07	6.57	-48.21
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O=C([O-])COCCOCCNC(=O)CN1N=C2CCCCN2C1=O	REAL000000131519	0	45	-1.0	-69.80	380.90	4.61	-65.19
CNC(=O)NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1	REAL000000131520	0	44	-1.0	-66.97	389.35	2.60	-64.37
O=C([O-])COCCOCCNC(=O)C1=C2C=NC=CC2=CC(F)=C1	REAL000000131521	0	40	-1.0	-56.86	347.90	5.05	-51.81
CC1=C(C(=O)NCCOCCOCC(=O)[O-])NC(=O)C2=CC=CC=C21	REAL000000131522	0	44	-1.0	-57.23	369.10	4.42	-52.81
CC(CC(=O)NCCOCCOCC(=O)[O-])N1CCC2=CC=CC=C21	REAL000000131523	0	50	-1.0	-58.62	399.88	5.87	-52.74
CCN1C(=O)NC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C21	REAL000000131524	0	45	-1.0	-60.18	385.50	4.38	-55.80
CSC1=CC(Br)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131525	0	39	-1.0	-56.04	362.72	6.18	-49.86
O=C([O-])COCCOCCNC(=O)C1(N2C=NN=N2)CCCCC1	REAL000000131526	0	46	-1.0	-55.82	369.37	4.39	-51.42
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC=C2Cl)CCC1	REAL000000131527	0	45	-1.0	-55.53	384.30	7.10	-48.43
CSC1=CC=CN=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131528	0	38	-1.0	-59.28	337.81	3.81	-55.47
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2=CC=CC=C2Cl)N=C1	REAL000000131529	0	43	-1.0	-57.44	387.17	6.80	-50.64
CN(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1F	REAL000000131530	0	43	-1.0	-57.23	366.57	4.11	-53.12
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=C1OCCCO2	REAL000000131531	0	44	-1.0	-62.50	366.46	5.55	-56.95
CC1=NN=NN1C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131532	0	43	-1.0	-61.10	373.02	4.58	-56.52
O=C([O-])COCCOCCNC(=O)CCCC1=CC=C2CCCCC2=C1	REAL000000131533	0	54	-1.0	-57.49	435.95	9.29	-48.20
O=C([O-])COCCOCCNC(=O)C1(C(=O)NC2=C(F)C=CC=C2F)CC1	REAL000000131534	0	46	-1.0	-57.50	406.48	4.98	-52.52
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC=C2)CNC(=O)C1	REAL000000131535	0	46	-1.0	-61.76	381.61	3.48	-58.28
O=C([O-])COCCOCCNC(=O)C1CCC2=NC=CN2C1	REAL000000131536	0	42	-1.0	-56.81	350.42	4.68	-52.13
CC1=NN(CC2CC2)C(C)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000131537	0	51	-1.0	-61.19	425.74	6.46	-54.74
O=C([O-])COCCOCCNC(=O)C(CC1CCCO1)C(F)(F)F	REAL000000131538	0	45	-1.0	-54.48	376.60	4.42	-50.06
O=C([O-])COCCOCCNC(=O)C1=NSC=C1Br	REAL000000131539	0	31	-1.0	-55.98	309.63	2.65	-53.34
O=C([O-])COCCOCCNC(=O)C1=CC=CC(N2C=CNC2=O)=C1	REAL000000131540	0	43	-1.0	-74.35	368.98	4.70	-69.66
O=C([O-])COCCOCCNC(=O)C1=CC=C(N2C=CNC2=O)C=C1	REAL000000131541	0	43	-1.0	-67.19	368.81	4.70	-62.49
O=C([O-])COCCOCCNC(=O)C1=C2C=CC(Cl)=CN2C=N1	REAL000000131542	0	38	-1.0	-59.49	350.70	6.33	-53.15
O=C([O-])COCCOCCNC(=O)CC1=CN2CCCCC2=N1	REAL000000131543	0	45	-1.0	-63.44	373.35	5.55	-57.88
COC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1Br	REAL000000131544	0	42	-1.0	-55.83	373.46	6.07	-49.76
CC1=CC=C(C2=NC=C(C(=O)NCCOCCOCC(=O)[O-])S2)C=C1C	REAL000000131545	0	47	-1.0	-57.05	410.89	6.65	-50.40
O=C([O-])COCCOCCNC(=O)CCC1=CC=C2OC(F)(F)OC2=C1	REAL000000131546	0	44	-1.0	-57.70	391.36	5.11	-52.58
O=C([O-])COCCOCCNC(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1	REAL000000131547	0	44	-1.0	-57.05	386.85	4.85	-52.20
O=C([O-])COCCOCCNC(=O)C1CCC2(CC2(F)F)CC1	REAL000000131548	0	45	-1.0	-55.64	374.87	6.26	-49.39
O=C([O-])COCCOCCNC(=O)C1=CC=C(C(F)F)C=C1F	REAL000000131549	0	38	-1.0	-62.71	344.42	5.54	-57.17
O=C([O-])COCCOCCNC(=O)CC1OCC2=CC(Cl)=CC=C21	REAL000000131550	0	43	-1.0	-58.07	381.57	5.68	-52.39
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2=C(F)C=CC=C2F)S1	REAL000000131551	0	41	-1.0	-60.39	380.70	5.69	-54.70
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL000000131552	0	41	-1.0	-56.08	363.01	6.29	-49.79
COC(CC(=O)NCCOCCOCC(=O)[O-])C(F)(F)F	REAL000000131553	0	38	-1.0	-55.15	338.34	3.14	-52.01
CSCC1(CC(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000131554	0	42	-1.0	-54.85	363.39	5.43	-49.42
O=C([O-])COCCOCCNC(=O)CC1C2CC3CC(C2)CC1C3	REAL000000131555	0	52	-1.0	-55.36	384.14	7.00	-48.36
CC1=C(C2=CC=CC=C2)SC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131556	0	45	-1.0	-56.14	397.01	7.87	-48.27
CC1=NN(C(C)C)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131557	0	44	-1.0	-58.97	369.04	4.27	-54.70
O=C([O-])COCCOCCNC(=O)CCC1=C(Cl)C=CC=C1Cl	REAL000000131558	0	41	-1.0	-56.37	379.87	6.87	-49.50
O=C([O-])COCCOCCNC(=O)C1=CC=C(C(F)F)N=C1	REAL000000131559	0	37	-1.0	-55.95	333.86	3.67	-52.28
O=C([O-])COCCOCCNC(=O)C1=C2OCCOC2=CS1	REAL000000131560	0	38	-1.0	-60.50	340.65	3.04	-57.46
CCC1=C(C2=CC=CC=C2)SC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131561	0	48	-1.0	-55.98	417.36	8.58	-47.40
O=C([O-])COCCOCCNC(=O)CCCC1=C(F)C=CC=C1F	REAL000000131562	0	44	-1.0	-58.52	383.89	6.88	-51.64
O=C([O-])COCCOCCNC(=O)C1=CN=CC=C1C(F)(F)F	REAL000000131563	0	37	-1.0	-58.35	331.40	3.81	-54.54
CC1=CC=CC=C1N1N=CC(C(=O)NCCOCCOCC(=O)[O-])=C1C(F)F	REAL000000131564	0	48	-1.0	-60.40	411.12	7.21	-53.19
CC1=CC=C(C2(C(=O)NCCOCCOCC(=O)[O-])CCOCC2)C=C1C	REAL000000131565	0	55	-1.0	-57.51	428.05	6.69	-50.83
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CC(C)C1CCC(C)CC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131570	0	53	-1.0	-53.69	397.09	6.93	-46.76
CN1C=C(Br)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000131574	0	35	-1.0	-59.55	330.58	2.97	-56.58
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CC(=CC1=CC=NC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131578	0	41	-1.0	-56.27	348.00	4.57	-51.70
CC(=CC1=CC=CC=N1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131579	0	41	-1.0	-57.17	349.30	5.58	-51.59
CC(=CC1=CC=CN=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131580	0	41	-1.0	-56.55	347.96	4.57	-51.99
CC(CC(=O)NCCOCCOCC(=O)[O-])N1C=C(Br)C=N1	REAL000000131582	0	41	-1.0	-56.36	369.00	4.28	-52.08
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C2=CC=CC=C2F)=N1	REAL000000131588	0	44	-1.0	-59.73	394.10	6.30	-53.43
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CC(C)(N)C1=NOC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131591	1	42	-1.0	-56.33	350.36	1.10	-55.22
CCC1=NC=CN1C(C)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000131592	0	47	-1.0	-56.16	388.68	5.71	-50.45
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CN1N=C(C(=O)NCCOCCOCC(=O)[O-])CCC1=O	REAL000000131602	0	39	-1.0	-54.90	338.12	1.75	-53.16
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CCOC1=CC=C2C=C(C(=O)NCCOCCOCC(=O)[O-])NC2=C1	REAL000000131617	0	46	-1.0	-56.98	390.74	4.71	-52.27
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CCN1C(C(=O)NCCOCCOCC(=O)[O-])=CC2=CC=CC=C21	REAL000000131629	0	45	-1.0	-56.47	378.86	6.97	-49.50
COCCN1C=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL000000131630	0	49	-1.0	-61.97	416.05	6.19	-55.78
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CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131634	0	52	-1.0	-68.85	425.85	5.30	-63.55
CC1=C(C)C2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C2N1	REAL000000131635	0	45	-1.0	-60.39	378.40	5.78	-54.60
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL000000131636	0	42	-1.0	-63.61	360.39	6.24	-57.37
CCC1=C2NC=C(CC(=O)NCCOCCOCC(=O)[O-])C2=CC=C1	REAL000000131637	0	48	-1.0	-61.61	405.18	6.69	-54.92
CCN1C=C(CC(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL000000131638	0	48	-1.0	-61.66	406.56	7.90	-53.75
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CC1=CC=C2C(CC(=O)NCCOCCOCC(=O)[O-])=CNC2=C1	REAL000000131640	0	45	-1.0	-61.65	383.64	5.95	-55.70
CN1C=CC2=C(C(=O)NCCOCCOCC(=O)[O-])C=CC=C21	REAL000000131641	0	42	-1.0	-62.41	357.25	6.27	-56.14
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CC1=C2C=C(C(=O)NCCOCCOCC(=O)[O-])NC2=CC(F)=C1	REAL000000131643	0	42	-1.0	-55.13	366.67	5.18	-49.96
CC(C)=CCOC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131644	0	49	-1.0	-59.31	409.46	6.82	-52.49
CN1C(C(=O)NCCOCCOCC(=O)[O-])=CC2=CC(C(F)(F)F)=CC=C21	REAL000000131645	0	45	-1.0	-55.11	395.65	7.08	-48.03
O=C([O-])COCCOCCNC(=O)CC=CC1=CC=C(F)C=C1	REAL000000131646	0	42	-1.0	-56.51	367.81	6.61	-49.90
CN1C=C(CCC(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL000000131647	0	48	-1.0	-57.50	406.11	7.80	-49.70
CC1=CC2=CC=CC=C2N1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000131648	0	45	-1.0	-61.06	382.60	7.14	-53.92
COC1=CC(C#N)=CC=C1OCC(=O)NCCOCCOCC(=O)[O-]	REAL000000131649	0	44	-1.0	-63.63	389.31	5.31	-58.32
CC1=C(C)C2=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C2N1	REAL000000131650	0	45	-1.0	-58.39	376.23	5.94	-52.45
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CC1=C(CC(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C2N1	REAL000000131652	0	45	-1.0	-58.65	381.70	5.78	-52.86
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COC1=CC=C2NC=C(CC(=O)NCCOCCOCC(=O)[O-])C2=C1	REAL000000131655	0	46	-1.0	-65.57	391.81	4.58	-60.99
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N#CCC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131657	0	39	-1.0	-63.53	347.97	5.72	-57.82
CCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000131658	0	41	-1.0	-55.38	354.70	2.21	-53.17
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=C(OC(F)(F)F)C=C2N1	REAL000000131659	0	43	-1.0	-54.83	385.37	4.26	-50.58
CN1C(C(=O)NCCOCCOCC(=O)[O-])=CC2=CC=CC=C21	REAL000000131660	0	42	-1.0	-57.10	357.08	6.06	-51.04
CC(OC1=CC=CC(C#N)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131661	0	43	-1.0	-62.39	376.74	6.14	-56.25
CN1C=C(CC(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL000000131662	0	45	-1.0	-62.14	384.71	7.00	-55.14
CC1=CN(CC(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C12	REAL000000131663	0	45	-1.0	-61.24	385.43	7.37	-53.87
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O=C([O-])COCCOCCNC(=O)C1=CC=C2NC=CC2=C1	REAL000000131665	0	39	-1.0	-60.55	337.03	4.59	-55.96
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CC1=C2NC=C(CCC(=O)NCCOCCOCC(=O)[O-])C2=CC=C1	REAL000000131667	0	48	-1.0	-57.16	404.89	6.74	-50.42
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CN1C=C(C=CC(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL000000131669	0	46	-1.0	-61.67	395.10	7.52	-54.15
CC1=CC=C2NC=C(CCC(=O)NCCOCCOCC(=O)[O-])C2=C1	REAL000000131670	0	48	-1.0	-57.18	405.03	6.75	-50.43
O=C([O-])COCCOCCNC(=O)CC1CCSCC1	REAL000000131671	0	42	-1.0	-54.64	350.06	5.20	-49.45
COC1=CC=CC(OC)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131672	0	43	-1.0	-62.88	367.86	3.11	-59.76
CCC(CC)N1N=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131673	0	47	-1.0	-55.63	386.41	5.35	-50.28
CC(C)(C)C1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131674	0	47	-1.0	-54.52	365.97	6.71	-47.81
COC1=C(C)C=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C	REAL000000131675	0	45	-1.0	-56.00	379.22	5.46	-50.54
CC1=NOC(C2=CC=CC=C2)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131676	0	44	-1.0	-54.68	382.55	6.05	-48.63
CC1=CC=C2NC(C(=O)NCCOCCOCC(=O)[O-])=CC2=C1C	REAL000000131677	0	45	-1.0	-56.92	377.80	5.68	-51.24
CC1=C2NC=C(CC(=O)NCCOCCOCC(=O)[O-])C2=CC=C1	REAL000000131678	0	45	-1.0	-61.85	383.50	5.94	-55.91
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CC1CCC2=C(C1)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1N2	REAL000000131681	0	52	-1.0	-60.51	421.40	7.63	-52.88
CC1=CC=CC(N2N=C(C(=O)NCCOCCOCC(=O)[O-])CCC2=O)=C1	REAL000000131682	0	49	-1.0	-56.50	416.46	5.87	-50.63
N#CCOC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131683	0	44	-1.0	-62.39	390.90	5.76	-56.64
CC(OC1=CC=C(C#N)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131684	0	43	-1.0	-60.10	376.70	6.16	-53.94
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CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1CC1=CC=CO1	REAL000000131686	0	49	-1.0	-59.66	412.64	7.12	-52.54
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CC1=CC=C(C(=O)CCC(=O)NCCOCCOCC(=O)[O-])S1	REAL000000131693	0	43	-1.0	-56.20	384.66	5.75	-50.45
CC1=CC=C(Br)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131694	0	38	-1.0	-56.95	343.40	5.84	-51.11
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CCC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(OC)C=C1	REAL000000131702	0	48	-1.0	-56.78	395.34	5.76	-51.02
CC1(C)CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000131703	0	47	-1.0	-54.93	365.48	5.71	-49.22
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CC1=CC=CC(C2=CN=CC(C(=O)NCCOCCOCC(=O)[O-])=C2)=C1	REAL000000131706	0	47	-1.0	-56.95	396.51	6.86	-50.08
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1CCCC1	REAL000000131707	0	48	-1.0	-57.45	391.77	5.70	-51.75
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=NC=C1	REAL000000131709	0	44	-1.0	-58.14	376.67	4.34	-53.80
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NC2=C1C(=O)N(C)C(=O)N2C	REAL000000131710	0	49	-1.0	-57.47	404.46	4.92	-52.55
COC1=CC=C(CN2N=NC(C(=O)NCCOCCOCC(=O)[O-])=C2C)C=C1	REAL000000131712	0	51	-1.0	-60.31	430.13	4.41	-55.90
CC(=O)NCC(C)(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131713	0	44	-1.0	-64.29	364.46	2.06	-62.23
COC(=O)C1=CC=C2CCCC(CC(=O)NCCOCCOCC(=O)[O-])C2=C1	REAL000000131714	0	54	-1.0	-60.53	439.39	8.11	-52.42
CC1(C)CC(C(=O)NCCOCCOCC(=O)[O-])CC(C)(C)C1	REAL000000131715	0	53	-1.0	-54.97	402.42	6.72	-48.25
O=C([O-])COCCOCCNC(=O)CN1C=C(C2CC2)C=N1	REAL000000131716	0	42	-1.0	-60.89	361.87	4.79	-56.10
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=C1COCC2	REAL000000131717	0	43	-1.0	-58.24	353.88	4.67	-53.57
CC(C)(C)N1N=CC(C(=O)NCCOCCOCC(=O)[O-])=C1Br	REAL000000131718	0	44	-1.0	-56.84	381.00	4.51	-52.33
O=C([O-])COCCOCCNC(=O)C1CC2(CC2(F)F)C1	REAL000000131719	0	39	-1.0	-55.29	342.60	5.08	-50.21
CC1=CC(F)=CC(C)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131720	0	41	-1.0	-54.07	354.87	5.54	-48.54
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CN1N=CC(C2CCC2)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131722	0	45	-1.0	-54.90	379.18	4.82	-50.08
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NC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1Br	REAL000000131726	0	40	-1.0	-53.99	353.56	2.96	-51.03
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CN(C)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(C(F)(F)F)=C1	REAL000000131728	0	46	-1.0	-55.15	397.25	5.98	-49.18
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CC(C)(C)N1N=NC(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000131730	0	42	-1.0	-57.94	362.93	2.33	-55.61
O=C([O-])COCCOCCNC(=O)CC12CCCCC1C2(F)F	REAL000000131731	0	45	-1.0	-52.48	367.95	6.02	-46.47
CC1=CC(Br)=CC(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000131732	0	41	-1.0	-53.90	359.95	6.38	-47.52
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CCCCCC1=NNC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131734	0	47	-1.0	-55.34	395.42	4.70	-50.63
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COC1=CC=C([C@@H]2C[C@H]2CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131736	0	49	-1.0	-58.78	408.18	6.67	-52.12
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1C#N	REAL000000131737	0	40	-1.0	-57.72	355.35	4.29	-53.43
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=CC(Br)=C1F	REAL000000131738	0	38	-1.0	-54.05	347.52	5.87	-48.19
CC1=CC2=C(C(=O)NCCOCCOCC(=O)[O-])N=CN2C=C1	REAL000000131739	0	41	-1.0	-64.45	355.43	6.49	-57.95
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O=C([O-])COCCOCCNC(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL000000131742	0	38	-1.0	-53.62	369.84	5.72	-47.90
O=C([O-])COCCOCCNC(=O)CCC1=CSC=C1Br	REAL000000131743	0	38	-1.0	-54.08	361.12	5.52	-48.57
O=C([O-])COCCOCCNC(=O)CC(N1C=CC=N1)C(F)(F)F	REAL000000131744	0	41	-1.0	-57.64	362.95	4.25	-53.39
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1C1CCOCC1	REAL000000131745	0	53	-1.0	-58.11	415.36	5.75	-52.36
COC(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)O1	REAL000000131746	0	41	-1.0	-55.59	365.32	4.14	-51.45
N#CC1(CC(=O)NCCOCCOCC(=O)[O-])CCCCC1	REAL000000131747	0	45	-1.0	-60.14	363.05	5.23	-54.90
O=C([O-])COCCOCCNC(=O)C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1	REAL000000131748	0	41	-1.0	-60.54	386.17	2.68	-57.86
O=C([O-])COCCOCCNC(=O)C1=C(Cl)N=C2C=CSC2=C1	REAL000000131749	0	37	-1.0	-58.47	350.05	4.44	-54.03
O=C([O-])COCCOCCNC(=O)C1CCC(=O)N(C2=CC=CC(F)=C2)C1	REAL000000131750	0	49	-1.0	-61.11	415.19	6.34	-54.77
O=C([O-])COCCOCCNC(=O)C1=CN=NN1C1=CC=CC=C1	REAL000000131751	0	41	-1.0	-58.71	356.17	4.83	-53.88
CC(C)C1=CC=C(C2(C(=O)NCCOCCOCC(=O)[O-])CCCCC2)C=C1	REAL000000131752	0	60	-1.0	-55.20	457.81	9.76	-45.44
CC(C)(CC(F)(F)F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131753	0	40	-1.0	-52.76	336.57	4.35	-48.41
O=C([O-])COCCOCCNC(=O)C1COCC1C1=CC=CC=C1	REAL000000131754	0	46	-1.0	-55.81	375.20	4.79	-51.02
CN1N=CC(C2CC2)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131755	0	42	-1.0	-55.14	362.53	4.33	-50.81
CC1=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=CC=C1OC(F)(F)F	REAL000000131756	0	46	-1.0	-55.57	406.22	6.28	-49.29
O=C([O-])COCCOCCNC(=O)C1=C2C(Cl)=CC=CN2N=C1	REAL000000131757	0	38	-1.0	-62.05	343.24	4.77	-57.28
CC(=O)NC(CCC(C)C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131758	0	50	-1.0	-67.04	403.63	4.81	-62.23
O=C([O-])COCCOCCNC(=O)C1=C(Cl)C=CC=C1Br	REAL000000131759	0	35	-1.0	-57.95	345.28	5.35	-52.59
CC(C)[C@H](NCC(F)(F)F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131760	0	45	-1.0	-56.57	380.80	3.30	-53.27
O=C([O-])COCCOCCNC(=O)C1=CNN=C1C1CCOCC1	REAL000000131761	0	46	-1.0	-59.37	379.97	2.39	-56.97
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL000000131763	0	41	-1.0	-53.93	370.80	5.60	-48.33
CC1=CC([N+](=O)[O-])=CC(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000131764	0	39	-1.0	-56.77	353.09	4.12	-52.65
CC(C)(C(=O)NCCOCCOCC(=O)[O-])N1C=C(N)C=N1	REAL000000131765	0	43	-1.0	-62.28	360.70	1.77	-60.52
O=C([O-])COCCOCCNC(=O)CC1=CC=C(Br)C=C1F	REAL000000131766	0	38	-1.0	-58.73	357.11	5.87	-52.85
O=C([O-])COCCOCCNC(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL000000131767	0	38	-1.0	-54.86	361.53	6.46	-48.40
COC1=CC=C([C@@H]2C[C@H]2C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131768	0	46	-1.0	-56.52	387.76	5.88	-50.64
O=C([O-])COCCOCCNC(=O)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL000000131769	0	44	-1.0	-59.91	385.06	6.17	-53.74
O=C([O-])COCCOCCNC(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL000000131770	0	54	-1.0	-56.42	432.21	9.04	-47.38
COCC1=CN=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131771	0	41	-1.0	-57.56	355.83	2.47	-55.09
O=C([O-])COCCOCCNC(=O)C1(C(F)(F)F)CCCCC1	REAL000000131772	0	44	-1.0	-54.96	357.28	5.60	-49.36
CC1=C2C=C(C(=O)NCCOCCOCC(=O)[O-])NC2=CC=C1Br	REAL000000131773	0	42	-1.0	-55.54	378.23	5.64	-49.91
COC1=CC=CC=C1C(F)(F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131774	0	42	-1.0	-56.09	367.20	4.73	-51.36
CC1=NNC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C12	REAL000000131775	0	41	-1.0	-57.97	354.19	3.85	-54.12
O=C([O-])COCCOCCNC(=O)C1=COC(C2=CC=CN=C2)=N1	REAL000000131776	0	40	-1.0	-57.88	360.91	1.22	-56.66
COCCCN1N=C(C(=O)NCCOCCOCC(=O)[O-])C=CC1=O	REAL000000131777	0	47	-1.0	-57.62	405.21	2.39	-55.23
CC(C)(C)N1C=C(Br)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000131778	0	44	-1.0	-58.50	390.22	4.97	-53.53
CN1C(=O)C(C)(C)C2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C21	REAL000000131780	0	49	-1.0	-58.54	409.69	6.03	-52.51
CC1=NN(C)C(Br)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131781	0	38	-1.0	-56.23	354.38	3.25	-52.98
CN1N=CC(C(=O)NCCOCCOCC(=O)[O-])=C1Br	REAL000000131782	0	35	-1.0	-56.66	328.24	2.73	-53.94
O=C([O-])COCCOCCNC(=O)CCCC1=CC=CN=C1	REAL000000131783	0	43	-1.0	-59.61	368.08	5.01	-54.59
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1C(F)(F)F	REAL000000131784	0	42	-1.0	-55.96	372.61	4.96	-51.00
COC(C(=O)NCCOCCOCC(=O)[O-])C1CCOC1	REAL000000131785	0	43	-1.0	-57.51	356.77	2.51	-55.00
CC(C)(C)N1N=NC(CC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000131786	0	45	-1.0	-63.99	383.72	2.84	-61.15
O=C([O-])COCCOCCNC(=O)C1=CC=C2COCCC2=C1	REAL000000131787	0	43	-1.0	-57.58	359.46	4.64	-52.94
COCCCOCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000131788	0	45	-1.0	-55.59	381.04	2.15	-53.44
CN(C)C(=O)C1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000131789	0	51	-1.0	-58.13	401.64	4.64	-53.49
CC1=C(Br)C=NC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131790	0	37	-1.0	-53.46	335.14	3.96	-49.50
CC(C)[C@@H](C(=O)NCCOCCOCC(=O)[O-])N1CC2=CC=CC=C2C1=O	REAL000000131791	0	52	-1.0	-73.85	422.75	8.93	-64.93
COC1=CC=C(OC(C)(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131792	0	49	-1.0	-58.92	395.11	5.30	-53.62
CC(C)CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL000000131793	0	50	-1.0	-54.33	421.27	8.24	-46.09
CC(C)N1C(=O)NC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C21	REAL000000131794	0	48	-1.0	-59.84	400.29	4.83	-55.02
O=C([O-])COCCOCCNC(=O)CC1=C(Cl)C=CC=C1Br	REAL000000131795	0	38	-1.0	-56.21	362.48	6.16	-50.06
COC1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=C1Cl	REAL000000131796	0	42	-1.0	-61.74	373.39	5.00	-56.74
O=C([O-])COCCOCCNC(=O)CCC1CC1(Cl)Cl	REAL000000131797	0	38	-1.0	-57.09	354.89	5.59	-51.50
O=C([O-])COCCOCCNC(=O)C(CC1COCCO1)C(F)(F)F	REAL000000131798	0	46	-1.0	-53.66	387.76	3.32	-50.34
O=C([O-])COCCOCCNC(=O)C1=C(C(F)(F)F)N=C2CCCCN21	REAL000000131799	0	45	-1.0	-54.86	392.46	5.41	-49.44
O=C([O-])COCCOCCNC(=O)C1=CC(N2C=CN=N2)=CC=C1F	REAL000000131800	0	41	-1.0	-65.10	362.66	4.53	-60.57
O=C([O-])COCCOCCNC(=O)C1(N2C=NN=N2)CCOCC1	REAL000000131801	0	44	-1.0	-54.16	364.16	2.15	-52.00
O=C([O-])COCCOCCNC(=O)C1=NN2C=CC=NC2=N1	REAL000000131802	0	36	-1.0	-67.76	326.65	4.69	-63.07
O=C([O-])COCCOCCNC(=O)C1=C2C=NC=CC2=CC=C1F	REAL000000131803	0	40	-1.0	-63.30	355.99	4.82	-58.48
O=C([O-])COCCOCCNC(=O)CC1=CC=C(NC(=O)C(F)(F)F)C=C1	REAL000000131804	0	45	-1.0	-60.38	405.89	4.52	-55.86
O=C([O-])COCCOCCNC(=O)C1=C2C=CSC2=NC=N1	REAL000000131805	0	36	-1.0	-55.33	331.46	3.85	-51.48
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131806	0	49	-1.0	-67.83	414.86	1.60	-66.23
O=C([O-])COCCOCCNC(=O)C1=CC=NN1C(F)F	REAL000000131807	0	35	-1.0	-56.71	317.17	2.46	-54.25
O=C([O-])COCCOCCNC(=O)C1=C(C2=NOC=C2)OC=N1	REAL000000131808	0	37	-1.0	-64.82	335.16	0.74	-64.08
CC(C)C1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131810	0	44	-1.0	-56.66	363.91	6.34	-50.32
CC1=NN(C(C)CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131811	0	44	-1.0	-58.83	369.24	4.26	-54.57
CNC1=CC=C(C(F)(F)F)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131812	0	43	-1.0	-54.23	374.43	4.74	-49.49
CC(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131813	0	40	-1.0	-57.06	346.26	4.95	-52.11
CC(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1OC(C)C	REAL000000131814	0	50	-1.0	-59.40	413.08	7.09	-52.31
O=C([O-])COCCOCCNC(=O)C1=CC2=C(C=CC3=CC=CC=C23)O1	REAL000000131816	0	44	-1.0	-58.14	383.28	7.16	-50.98
CC1=C(S(C)(=O)=O)C=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000131817	0	41	-1.0	-64.49	370.83	0.87	-63.62
O=C([O-])COCCOCCNC(=O)C1=CC2=CSC=C2S1	REAL000000131818	0	35	-1.0	-56.93	335.89	4.90	-52.03
CC1=CC=CC=C1CC(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131819	0	47	-1.0	-54.85	383.17	6.99	-47.85
CC1=C(C(=O)NCCOCCOCC(=O)[O-])OC(C(F)F)=C1	REAL000000131820	0	38	-1.0	-54.93	342.46	4.33	-50.61
O=C([O-])COCCOCCNC(=O)C1C2CC3=C(Cl)C=CC=C3C21	REAL000000131821	0	43	-1.0	-54.18	380.97	7.59	-46.59
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL000000131822	0	42	-1.0	-58.30	387.71	7.46	-50.84
CC1=CC=C2OC=C(CC(=O)NCCOCCOCC(=O)[O-])C2=C1	REAL000000131823	0	44	-1.0	-60.68	379.67	6.26	-54.42
COC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(F)C=C1	REAL000000131824	0	42	-1.0	-60.30	369.12	5.44	-54.86
CCCC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(Cl)=C1	REAL000000131825	0	47	-1.0	-53.34	405.85	7.63	-45.71
O=C([O-])COCCOCCNC(=O)C1CC2=C(Cl)C=CC=C21	REAL000000131826	0	39	-1.0	-55.97	352.34	6.28	-49.68
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CSN=N2)C=C1	REAL000000131827	0	40	-1.0	-61.78	362.64	4.59	-57.19
O=C([O-])COCCOCCNC(=O)C1CCC2=CC=CC=C2CC1	REAL000000131828	0	48	-1.0	-55.93	383.15	7.47	-48.46
O=C([O-])COCCOCCNC(=O)CC(C1CCC1)C1CCC1	REAL000000131829	0	51	-1.0	-54.49	394.82	7.41	-47.07
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CSC(Br)=C1	REAL000000131830	0	39	-1.0	-54.72	370.68	6.29	-48.43
CS(=O)(=O)N1CCC[C@H](C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000131831	0	46	-1.0	-62.89	386.27	1.19	-61.70
COC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1OC(F)F	REAL000000131832	0	46	-1.0	-60.95	398.86	4.71	-56.24
CC1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=C1Br	REAL000000131833	0	41	-1.0	-58.24	366.77	6.30	-51.94
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC2CC2(F)F)C=C1	REAL000000131835	0	43	-1.0	-58.49	379.59	5.73	-52.76
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL000000131836	0	39	-1.0	-54.21	367.64	4.91	-49.31
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1Br	REAL000000131837	0	39	-1.0	-55.70	355.61	4.52	-51.18
O=C([O-])COCCOCCNC(=O)C1C2CC3=CC=CC=C3C21	REAL000000131838	0	43	-1.0	-56.39	357.14	6.99	-49.40
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1OC(F)(F)F	REAL000000131839	0	42	-1.0	-54.20	371.67	5.10	-49.10
O=C([O-])COCCOCCNC(=O)C1COC2=CC(F)=CC=C2C1	REAL000000131840	0	43	-1.0	-54.37	366.76	5.14	-49.23
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C(S(C)(=O)=O)O1	REAL000000131841	0	41	-1.0	-64.81	370.66	0.95	-63.86
O=C([O-])COCCOCCNC(=O)C1=CSC(C(F)(F)F)=C1	REAL000000131842	0	35	-1.0	-56.06	337.62	4.66	-51.40
O=C([O-])COCCOCCNC(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL000000131843	0	50	-1.0	-61.40	412.70	4.07	-57.33
O=C([O-])COCCOCCNC(=O)C1=CC=C(CN2C=CN=N2)C=C1	REAL000000131844	0	44	-1.0	-67.50	383.35	4.95	-62.55
O=C([O-])COCCOCCNC(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL000000131845	0	48	-1.0	-56.03	391.38	7.60	-48.42
COCCCN1C=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000131846	0	45	-1.0	-60.05	387.46	2.97	-57.09
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=NN1C1CCOCC1	REAL000000131847	0	49	-1.0	-60.66	405.29	3.87	-56.78
CN1C=C(N2CC(C(=O)NCCOCCOCC(=O)[O-])CC2=O)C=N1	REAL000000131848	0	46	-1.0	-62.48	390.47	3.44	-59.04
CC(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=NC=C1	REAL000000131849	0	43	-1.0	-56.10	360.50	4.70	-51.40
O=C([O-])COCCOCCNC(=O)C1=C2SC=CC2=CC=N1	REAL000000131850	0	37	-1.0	-59.23	337.51	4.17	-55.06
O=C([O-])COCCOCCNC(=O)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1	REAL000000131851	0	46	-1.0	-58.29	397.27	5.64	-52.65
O=C([O-])COCCOCCNC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL000000131852	0	44	-1.0	-66.69	362.46	3.49	-63.20
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000131853	0	41	-2.0	-103.48	374.59	0.66	-102.82
CS(=O)(=O)NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000131853	1	42	-1.0	-64.18	374.65	0.80	-63.39
O=C([O-])COCCOCCNC(=O)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL000000131854	0	41	-1.0	-63.58	372.73	6.67	-56.92
O=C([O-])COCCOCCNC(=O)CN1C=CC(C(F)F)=N1	REAL000000131855	0	38	-1.0	-64.35	345.17	3.47	-60.88
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=CC(=O)NC=C21	REAL000000131856	0	41	-1.0	-59.47	352.58	3.74	-55.73
CC1=CN2C=CN=C2C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131857	0	41	-1.0	-61.95	352.39	6.31	-55.65
O=C([O-])COCCOCCNC(=O)C1=CC=C(SC(F)(F)F)N=C1	REAL000000131858	0	38	-1.0	-54.96	360.60	4.79	-50.17
O=C([O-])COCCOCCNC(=O)C1=CC=NC(N2CCOCC2)=N1	REAL000000131859	0	46	-1.0	-55.90	386.47	3.02	-52.88
O=C([O-])COCCOCCNC(=O)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL000000131860	0	49	-1.0	-63.78	403.81	5.41	-58.37
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1C1=CN(C)N=C1	REAL000000131861	0	49	-1.0	-60.14	413.05	6.11	-54.03
CC1=NC(C2=CC=CS2)=C(CC(=O)NCCOCCOCC(=O)[O-])S1	REAL000000131862	0	44	-1.0	-59.15	401.76	5.56	-53.59
O=C([O-])COCCOCCNC(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL000000131863	0	42	-1.0	-60.23	373.15	5.63	-54.60
O=C([O-])COCCOCCNC(=O)C1=C(Cl)C2=CC=CN=C2S1	REAL000000131864	0	37	-1.0	-57.97	352.40	4.56	-53.41
O=C([O-])COCCOCCNC(=O)C1CCC2C(C1)C2(F)F	REAL000000131866	0	42	-1.0	-59.35	348.11	5.54	-53.80
O=C([O-])COCCOCCNC(=O)C(F)(F)C1=CC=C(Br)C=C1	REAL000000131867	0	38	-1.0	-51.96	361.26	5.95	-46.01
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2CC2)C=C1	REAL000000131868	0	42	-1.0	-56.18	354.92	6.65	-49.53
COC(C(=O)NCCOCCOCC(=O)[O-])C1CCCC1	REAL000000131869	0	45	-1.0	-57.06	358.30	4.95	-52.11
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131870	0	45	-1.0	-55.37	376.09	7.10	-48.27
O=C([O-])COCCOCCNC(=O)C1CC2=CC=CC=C2CO1	REAL000000131871	0	43	-1.0	-58.61	362.74	5.73	-52.88
COC(C(=O)NCCOCCOCC(=O)[O-])C1CCCCC1	REAL000000131872	0	48	-1.0	-57.87	383.35	5.61	-52.26
CC1CC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C2O1	REAL000000131873	0	43	-1.0	-57.10	362.60	5.17	-51.93
O=C([O-])COCCOCCNC(=O)C1CC2(C1)CCCCC2	REAL000000131874	0	48	-1.0	-55.22	376.74	6.46	-48.76
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CC2=CC(Cl)=C1	REAL000000131875	0	41	-1.0	-56.00	363.13	7.27	-48.73
COCC1=CSC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131876	0	39	-1.0	-57.55	353.17	3.25	-54.30
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CC2=CN=C1	REAL000000131877	0	40	-1.0	-59.29	342.45	5.03	-54.25
O=C([O-])COCCOCCNC(=O)C1(OCC2=CC=CC=C2)CCOCC1	REAL000000131878	0	53	-1.0	-53.61	424.71	5.20	-48.41
CCN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C2CCOCC2)=N1	REAL000000131879	0	52	-1.0	-59.96	424.41	4.57	-55.39
O=C([O-])COCCOCCNC(=O)C1=NOC2=C1COCC2	REAL000000131880	0	39	-1.0	-56.89	337.50	2.16	-54.74
CC(CC(=O)NCCOCCOCC(=O)[O-])C1CCCO1	REAL000000131881	0	45	-1.0	-55.59	360.36	3.88	-51.70
O=C([O-])COCCOCCNC(=O)C1(C(F)(F)F)CCOCC1	REAL000000131882	0	42	-1.0	-51.86	348.89	3.24	-48.62
COC(=O)C1=C(C)C=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000131883	0	41	-1.0	-54.55	364.77	3.96	-50.60
COC(=O)C1=CN(CC(=O)NCCOCCOCC(=O)[O-])N=C1	REAL000000131884	0	41	-1.0	-63.25	367.34	3.34	-59.92
C[C@H](OCC1=CC=CC=C1)[C@@H](N)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131885	1	50	-1.0	-56.59	419.08	3.24	-53.35
COC1=CC=CC(CC(N)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131886	1	47	-1.0	-55.39	395.95	2.36	-53.03
CC(C(=O)NCCOCCOCC(=O)[O-])N1CCNCC1=O	REAL000000131887	0	44	-1.0	-66.61	358.26	1.19	-65.42
COC1=CC=CC(C(N)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131888	1	44	-1.0	-56.27	372.19	1.57	-54.70
CC1=CC=C(C2=NN(C)C=C2C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000131892	0	45	-1.0	-66.10	391.33	5.89	-60.21
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC=C2)CCCCCC1	REAL000000131893	0	54	-1.0	-57.56	403.65	8.92	-48.64
O=C([O-])COCCOCCNC(=O)[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL000000131894	0	46	-1.0	-53.07	397.51	5.89	-47.18
O=C([O-])COCCOCCNC(=O)C1=C(C(F)(F)F)SC=C1	REAL000000131895	0	35	-1.0	-58.76	330.55	4.64	-54.11
CC1=NN(C2CCOCC2)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131896	0	49	-1.0	-56.28	402.16	3.94	-52.34
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131897	0	54	-1.0	-53.56	431.41	1.46	-52.10
CC1=CC=NC(NC2=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C2)=N1	REAL000000131898	0	48	-1.0	-61.09	409.29	7.71	-53.38
CCC1(C(=O)NCCOCCOCC(=O)[O-])CCC(F)(F)CC1	REAL000000131899	0	47	-1.0	-54.24	371.70	5.76	-48.48
CN1N=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=C1Cl	REAL000000131900	0	35	-1.0	-54.94	345.63	3.01	-51.93
CN1C=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000131901	0	35	-1.0	-59.94	326.46	2.86	-57.08
O=C([O-])COCCOCCNC(=O)C1(C2CCCC2)CCNC1=O	REAL000000131902	0	49	-1.0	-65.96	379.38	2.71	-63.25
CCOC1=CC=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131903	0	46	-1.0	-58.01	391.60	5.98	-52.02
COC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131904	0	43	-1.0	-57.28	369.68	5.06	-52.22
CN1N=CC(C(F)(F)F)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131905	0	38	-1.0	-52.53	351.90	3.21	-49.31
O=C([O-])COCCOCCNC(=O)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL000000131906	0	47	-1.0	-56.82	372.91	5.94	-50.88
CCN1C(=O)NC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C21	REAL000000131907	0	45	-1.0	-60.83	385.46	4.37	-56.45
O=C([O-])COCCOCCNC(=O)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL000000131908	0	46	-1.0	-60.20	390.49	5.01	-55.19
COC(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000131909	0	46	-1.0	-58.65	379.33	3.48	-55.17
O=C([O-])COCCOCCNC(=O)CCC1=CC=CN=C1Cl	REAL000000131910	0	40	-1.0	-59.67	359.42	4.53	-55.13
NC1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=C1Cl	REAL000000131911	0	40	-1.0	-58.54	357.31	3.58	-54.96
O=C([O-])COCCOCCNC(=O)C1=C(Br)C2=C(CNC2)S1	REAL000000131914	0	38	-1.0	-56.85	356.18	2.11	-54.74
CNC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(Cl)=C1Cl	REAL000000131915	0	43	-1.0	-55.79	389.26	4.32	-51.47
CN1C(=O)CO[C@H](C(=O)NCCOCCOCC(=O)[O-])[C@H]1C1=CC=CN=C1	REAL000000131916	0	49	-1.0	-57.17	398.94	3.39	-53.78
O=C([O-])COCCOCCNC(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL000000131917	0	38	-1.0	-55.09	357.29	6.08	-49.02
O=C([O-])COCCOCCNC(=O)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL000000131918	0	48	-1.0	-53.34	397.87	7.97	-45.37
CS(=O)(=O)C1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])O1	REAL000000131919	0	42	-1.0	-63.22	386.17	1.52	-61.70
O=C([O-])COCCOCCNC(=O)C1=CN=C2NC(=O)NC2=C1	REAL000000131920	0	38	-1.0	-57.38	336.40	0.60	-56.78
COC(=O)C=CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000131922	0	42	-1.0	-56.62	380.47	4.74	-51.88
CC(C)(C)C1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000131923	0	51	-1.0	-55.95	416.36	8.07	-47.88
CC1=C(C(=O)NCCOCCOCC(=O)[O-])OC(S(N)(=O)=O)=C1	REAL000000131924	0	40	-1.0	-58.81	364.45	-1.76	-60.56
O=C([O-])COCCOCCNC(=O)C1CCC2=CC(F)=CC=C21	REAL000000131925	0	42	-1.0	-54.56	354.18	6.62	-47.94
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCCOCCOCC(=O)[O-])C=C1C	REAL000000131926	0	48	-1.0	-55.87	396.68	7.78	-48.09
NC(CC1=NNC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131927	1	40	-1.0	-56.18	346.84	-0.64	-56.81
CCCC1CCCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131928	0	47	-1.0	-55.43	375.76	6.26	-49.17
NC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(F)C=C1F	REAL000000131929	0	40	-1.0	-52.55	350.47	2.50	-50.04
CCOC1(C(=O)NCCOCCOCC(=O)[O-])CCOCC1	REAL000000131930	0	46	-1.0	-52.64	364.75	2.17	-50.47
COC1=CC(CCC(=O)NCCOCCOCC(=O)[O-])=CC(OC)=C1O	REAL000000131931	0	50	-1.0	-58.86	421.23	3.07	-55.79
O=C([O-])COCCOCCNC(=O)C1CC(=O)NC2CCCCC21	REAL000000131932	0	49	-1.0	-59.91	388.59	3.17	-56.74
CC1=CC(CC(=O)NCCOCCOCC(=O)[O-])=CC(C)=C1	REAL000000131933	0	44	-1.0	-57.12	373.17	6.56	-50.56
O=C([O-])COCCOCCNC(=O)CCC(=O)C1=C(F)C=CC=C1F	REAL000000131934	0	43	-1.0	-59.89	379.24	5.90	-53.99
O=C([O-])COCCOCCNC(=O)C1C2CCCCCCC21	REAL000000131935	0	48	-1.0	-55.11	366.16	6.23	-48.88
O=C([O-])COCCOCCNC(=O)C1=CC2=NN=NN2C=C1	REAL000000131936	0	36	-1.0	-60.91	322.49	2.68	-58.23
O=C([O-])COCCOCCNC(=O)C1CCC(C2CC2)CC1	REAL000000131937	0	48	-1.0	-55.11	382.20	6.88	-48.23
O=C([O-])COCCOCCNC(=O)C1=C2SC=CC2=NC=N1	REAL000000131938	0	36	-1.0	-56.42	332.67	3.88	-52.54
CCCCCCCCC(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131939	0	55	-1.0	-54.88	437.00	8.25	-46.63
O=C([O-])COCCOCCNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL000000131941	0	44	-1.0	-53.87	367.09	5.44	-48.43
CC(C)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131942	0	44	-1.0	-56.87	365.91	6.48	-50.40
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131943	0	42	-1.0	-59.78	388.66	6.81	-52.97
O=C([O-])COCCOCCNC(=O)C1=CC=CC(CN2C=CN=N2)=C1	REAL000000131944	0	44	-1.0	-61.91	383.36	4.95	-56.96
O=C([O-])COCCOCCNC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2S1	REAL000000131945	0	41	-1.0	-55.06	383.39	6.94	-48.13
CC(C)(C(=O)NCCOCCOCC(=O)[O-])N1C=CC(N)=N1	REAL000000131946	0	43	-1.0	-63.94	360.44	2.76	-61.18
O=C([O-])COCCOCCNC(=O)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL000000131947	0	41	-1.0	-62.63	373.45	6.07	-56.56
CC1=CC=CC(N2C=NC3=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C32)=C1	REAL000000131948	0	51	-1.0	-62.03	433.71	9.83	-52.20
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)NCCOCCOCC(=O)[O-])=C21	REAL000000131949	0	43	-1.0	-54.21	376.71	4.08	-50.13
CN1N=CC(Cl)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131950	0	35	-1.0	-53.40	328.05	2.69	-50.71
CC1=CC(F)=C(C(=O)NCCOCCOCC(=O)[O-])C(F)=C1	REAL000000131951	0	38	-1.0	-59.82	343.40	5.16	-54.66
O=C([O-])COCCOCCNC(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL000000131952	0	44	-1.0	-60.91	394.45	4.92	-55.99
CSC1=CC=C(O)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131953	0	40	-1.0	-57.43	354.71	4.11	-53.33
COC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1OC(C)C	REAL000000131954	0	49	-1.0	-60.62	397.49	6.24	-54.38
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=C(Br)N2N=C1	REAL000000131955	0	38	-1.0	-59.87	354.40	4.76	-55.11
O=C([O-])COCCOCCNC(=O)C1=CC=NC2=C1CC(=O)N2	REAL000000131956	0	39	-1.0	-58.15	341.41	2.19	-55.96
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CO2)=N1	REAL000000131957	0	42	-1.0	-65.41	369.38	5.07	-60.34
CC1(C)CC1(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000131958	0	48	-1.0	-54.49	390.91	7.34	-47.16
O=C([O-])COCCOCCNC(=O)CCOC1=CC=C(Cl)C(F)=C1	REAL000000131959	0	42	-1.0	-54.23	382.81	5.43	-48.80
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1C1=NN(C)C=C1	REAL000000131960	0	49	-1.0	-63.98	413.73	6.95	-57.04
O=C([O-])COCCOCCNC(=O)C(=O)NC1=C(F)C=CC=C1F	REAL000000131961	0	39	-1.0	-58.36	359.95	3.05	-55.32
O=C([O-])COCCOCCNC(=O)C1CCCC1CC1=CC=CC=C1	REAL000000131962	0	51	-1.0	-55.17	407.70	8.32	-46.85
O=C([O-])COCCOCCNC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1	REAL000000131963	0	45	-1.0	-56.17	388.05	4.48	-51.69
COC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000131964	0	42	-1.0	-57.50	349.78	4.63	-52.87
COC1=CC=CC(OC(F)(F)F)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131965	0	43	-1.0	-59.54	384.36	3.59	-55.95
O=C([O-])COCCOCCNC(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1	REAL000000131966	0	45	-1.0	-58.16	391.44	6.21	-51.95
O=C([O-])COCCOCCNC(=O)C1=CN=C2COCCN12	REAL000000131967	0	40	-1.0	-60.12	337.95	2.36	-57.77
O=C([O-])COCCOCCNC(=O)C1=CC2=C(C=C1Br)OCO2	REAL000000131968	0	38	-1.0	-55.79	347.99	3.86	-51.94
O=C([O-])COCCOCCNC(=O)C1=CC(C(F)F)=CC=C1F	REAL000000131969	0	38	-1.0	-61.76	344.43	5.54	-56.22
CCCC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL000000131970	0	47	-1.0	-54.56	404.06	7.74	-46.82
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131971	0	52	-1.0	-60.74	428.15	4.34	-56.39
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1	REAL000000131972	0	51	-1.0	-58.43	428.18	8.10	-50.33
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL000000131973	0	45	-1.0	-55.67	398.90	4.97	-50.69
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL000000131974	0	45	-1.0	-58.28	399.23	4.91	-53.36
N#CC1(CC(=O)NCCOCCOCC(=O)[O-])CCOCC1	REAL000000131975	0	43	-1.0	-59.71	354.60	2.87	-56.83
O=C([O-])COCCOCCNC(=O)CN1CCC(C2=CC=CC=C2)NC1=O	REAL000000131976	0	51	-1.0	-68.90	425.34	5.38	-63.52
CC1CC(C(=O)NCCOCCOCC(=O)[O-])(C2=CC=CC(Cl)=C2)C1	REAL000000131977	0	48	-1.0	-58.00	405.91	7.76	-50.24
COC1=CC=C(C2(C(=O)NCCOCCOCC(=O)[O-])CCC2)C=C1OC	REAL000000131978	0	53	-1.0	-62.47	432.93	6.05	-56.42
O=C([O-])COCCOCCNC(=O)C1(C2=C(Cl)C=CC=C2Cl)CCC1	REAL000000131979	0	45	-1.0	-55.55	389.68	7.58	-47.97
O=C([O-])COCCOCCNC(=O)C1=C(F)C=CC(F)=C1Cl	REAL000000131980	0	35	-1.0	-59.35	337.35	4.93	-54.42
CCN1N=CC(Cl)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000131982	0	38	-1.0	-56.69	349.84	3.56	-53.13
CCCCC(C(=O)NCCOCCOCC(=O)[O-])C(C)C	REAL000000131983	0	49	-1.0	-54.14	383.46	6.54	-47.60
CCOCCN1C=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000131984	0	45	-1.0	-57.19	387.82	3.17	-54.02
NC(CC1=NC=CC=N1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000131985	1	41	-1.0	-57.86	354.98	0.22	-57.64
CN1C=C(CCC(=O)NCCOCCOCC(=O)[O-])N=N1	REAL000000131986	0	40	-1.0	-62.45	348.54	2.51	-59.94
CCOCCOCCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000131987	0	48	-1.0	-60.44	402.85	3.29	-57.14
O=C([O-])COCCOCCNC(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL000000131988	0	48	-1.0	-57.36	409.12	6.90	-50.46
CC(=CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CS1	REAL000000131989	0	39	-1.0	-53.96	348.86	5.59	-48.37
O=C([O-])COCCOCCNC(=O)C1=CSC=C1C(F)(F)F	REAL000000131990	0	35	-1.0	-59.97	330.23	4.54	-55.43
COC1=CC=CC(C(OC)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000131991	0	46	-1.0	-58.31	392.19	4.67	-53.64
COCCOCCOCCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000131992	0	52	-1.0	-62.11	436.47	2.68	-59.43
COC1=C(OC)C=C2C=C(C(=O)NCCOCCOCC(=O)[O-])C=CC2=C1	REAL000000131993	0	49	-1.0	-59.96	410.17	6.05	-53.91
O=C([O-])COCCOCCNC(=O)CC1(N2C=NN=N2)CCOCC1	REAL000000131994	0	47	-1.0	-69.27	381.02	3.38	-65.88
O=C([O-])COCCOCCNC(=O)C1=CC(Br)=CNC1=O	REAL000000131995	0	35	-1.0	-61.58	329.20	2.36	-59.22
COCC1(C(=O)NCCOCCOCC(=O)[O-])CCCCC1	REAL000000131996	0	48	-1.0	-55.81	373.29	4.88	-50.93
O=C([O-])COCCOCCNC(=O)C1=CN=C2CCCCCN12	REAL000000131997	0	45	-1.0	-57.84	362.06	4.92	-52.92
NC(=O)C1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])O1	REAL000000131998	0	40	-1.0	-58.05	362.83	0.81	-57.24
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1CN1C=CN=N1	REAL000000131999	0	44	-1.0	-56.09	373.35	4.86	-51.23
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1CN1C=CN=N1	REAL000000132000	0	44	-1.0	-56.09	373.35	4.86	-51.23
O=C([O-])COCCOCCNC(=O)C1=C(Cl)SC=C1	REAL000000132002	0	32	-1.0	-57.05	310.75	4.06	-52.98
O=C([O-])COCCOCCNC(=O)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL000000132004	0	48	-1.0	-54.66	417.65	8.99	-45.68
CCC1=CNC(=O)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132005	0	41	-1.0	-65.44	350.76	3.18	-62.26
O=C([O-])COCCOCCNC(=O)C1=CC=CC(N2CCCC2)=C1	REAL000000132006	0	47	-1.0	-58.02	383.55	5.06	-52.96
O=C([O-])COCCOCCNC(=O)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL000000132007	0	46	-1.0	-60.67	390.44	5.00	-55.67
O=C([O-])COCCOCCNC(=O)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL000000132008	0	46	-1.0	-59.98	391.79	5.03	-54.95
CSC1=CC(C)=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000132010	0	39	-1.0	-54.64	351.06	4.42	-50.21
O=C([O-])COCCOCCNC(=O)C1=C2C=CSC2=CN=C1	REAL000000132011	0	37	-1.0	-56.75	333.63	4.09	-52.66
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC(Cl)=CC=C2N1	REAL000000132012	0	42	-1.0	-56.97	379.73	5.54	-51.43
CC(=O)NC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=N1	REAL000000132013	0	41	-1.0	-62.32	358.49	3.13	-59.20
O=C([O-])COCCOCCNC(=O)C1=NC=C2C(F)=CC=CN21	REAL000000132014	0	38	-1.0	-57.61	339.48	5.10	-52.51
O=C([O-])COCCOCCNC(=O)C1CCCC1C1=CC=CC=C1	REAL000000132016	0	48	-1.0	-55.20	384.01	7.34	-47.86
CC1=CN=C2C=C(C(=O)NCCOCCOCC(=O)[O-])C=CN12	REAL000000132018	0	41	-1.0	-62.22	354.06	5.65	-56.57
O=C([O-])COCCOCCNC(=O)CC1=CC(C2CC2)=NO1	REAL000000132019	0	41	-1.0	-59.28	357.44	4.92	-54.36
CN1C=C(C2=NC=CC=C2C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000132020	0	44	-1.0	-63.25	377.43	4.01	-59.24
CC1(C)OCC2CC21C(=O)NCCOCCOCC(=O)[O-]	REAL000000132021	0	43	-1.0	-55.65	352.81	3.75	-51.90
O=C([O-])COCCOCCNC(=O)C1=CN2C=CN=C2C(Br)=C1	REAL000000132022	0	38	-1.0	-56.77	353.37	5.66	-51.10
O=C([O-])COCCOCCNC(=O)C1=CN=C2C=CC=CC2=C1	REAL000000132023	0	40	-1.0	-57.58	347.05	4.91	-52.67
O=C([O-])COCCOCCNC(=O)C1=NN2C=C(Br)C=NC2=C1	REAL000000132024	0	37	-1.0	-57.19	353.18	3.92	-53.26
CC1CCN2C=C(C(=O)NCCOCCOCC(=O)[O-])N=C2C1	REAL000000132025	0	45	-1.0	-59.58	373.86	5.34	-54.24
CN1N=C(I)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132026	0	35	-1.0	-53.92	334.49	3.20	-50.72
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CN=C2)CCCC1	REAL000000132028	0	47	-1.0	-54.98	380.04	5.99	-48.99
O=C([O-])COCCOCCNC(=O)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1	REAL000000132029	0	45	-1.0	-60.88	409.03	5.39	-55.49
O=C([O-])COCCOCCNC(=O)C1=C(C(F)F)N=C2CCCCN21	REAL000000132030	0	45	-1.0	-54.91	385.91	5.29	-49.62
O=C([O-])COCCOCCNC(=O)C1=CN=C2SC=CC2=C1	REAL000000132031	0	37	-1.0	-56.81	337.67	4.01	-52.79
O=C([O-])COCCOCCNC(=O)CC(F)(F)C(F)(F)F	REAL000000132032	0	34	-1.0	-56.69	320.26	3.56	-53.13
O=C([O-])COCCOCCNC(=O)C1=CC2=C(Cl)N=CC=C2O1	REAL000000132033	0	37	-1.0	-55.62	348.61	3.61	-52.01
O=C([O-])COCCOCCNC(=O)CCNC(=O)C1=CC2=CC=CC=C2N1	REAL000000132034	0	49	-1.0	-64.79	420.58	3.60	-61.19
O=C([O-])COCCOCCNC(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL000000132035	0	48	-1.0	-56.87	414.22	6.07	-50.80
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132036	0	47	-1.0	-54.20	409.12	4.16	-50.04
O=C([O-])COCCOCCNC(=O)C1=CSC=C1Cl	REAL000000132037	0	32	-1.0	-57.75	310.78	3.98	-53.77
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1CCOCC1	REAL000000132038	0	46	-1.0	-56.64	375.47	4.52	-52.13
CC1=NC(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])S2)=CS1	REAL000000132039	0	41	-1.0	-57.40	385.73	5.11	-52.29
O=C([O-])COCCOCCNC(=O)CC1=CC=CC=C1OCC1=CC=NC=C1	REAL000000132040	0	51	-1.0	-63.25	435.32	6.79	-56.47
O=C([O-])COCCOCCNC(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL000000132041	0	49	-1.0	-60.42	408.75	7.33	-53.09
CCC(CC(=O)NCCOCCOCC(=O)[O-])C(C)(C)C	REAL000000132042	0	49	-1.0	-53.92	372.21	5.64	-48.28
CC(=O)N1CCC[C@@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132043	0	42	-1.0	-69.31	350.52	2.93	-66.38
CCC1=CC=C(F)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132044	0	41	-1.0	-54.19	346.39	6.04	-48.16
O=C([O-])COCCOCCNC(=O)C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O	REAL000000132045	0	47	-1.0	-62.67	396.66	1.16	-61.50
O=C([O-])COCCOCCNC(=O)C1(C2=C3C=CC=CC3=NC=C2)CC1	REAL000000132046	0	47	-1.0	-56.25	396.48	6.54	-49.71
O=C([O-])COCCOCCNC(=O)C1(C2CCCCO2)CCC1	REAL000000132047	0	49	-1.0	-55.01	378.43	5.49	-49.51
O=C([O-])COCCOCCNC(=O)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL000000132048	0	47	-1.0	-61.67	401.38	7.51	-54.16
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(C(F)(F)F)=N1	REAL000000132049	0	46	-1.0	-64.38	396.57	6.11	-58.27
COC1=CC=C(F)C(OC)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132050	0	43	-1.0	-62.05	377.20	3.43	-58.62
COC1=CC=NC(OC)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132051	0	42	-1.0	-61.19	365.74	0.55	-60.65
COC1=CC=CC=C1NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000132052	0	51	-1.0	-58.86	428.71	6.36	-52.49
NC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL000000132053	1	43	-1.0	-55.29	381.41	3.25	-52.04
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(Cl)S1	REAL000000132054	0	36	-1.0	-54.56	347.52	5.44	-49.12
O=C([O-])COCCOCCNC(=O)C=CC1=CC=CC=C1OC(F)(F)F	REAL000000132055	0	43	-1.0	-58.89	385.12	5.60	-53.29
COC1=CC=CC(C2=NOC(C(=O)NCCOCCOCC(=O)[O-])=C2)=C1	REAL000000132056	0	45	-1.0	-57.10	393.94	4.84	-52.26
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CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCCOCCOCC(=O)[O-])OC2=O	REAL000000132060	0	48	-1.0	-54.27	383.31	5.12	-49.15
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CC1=CC=CC([C@@H]2C[C@H]2C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132064	0	45	-1.0	-55.69	379.68	7.24	-48.45
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COC1=CC(C)=CN=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132073	0	41	-1.0	-60.95	351.90	4.07	-56.88
COCCOC1=CN=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132074	0	45	-1.0	-59.58	385.76	2.24	-57.34
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CC1=C2C=C(C(=O)NCCOCCOCC(=O)[O-])NC2=C(F)C=C1	REAL000000132078	0	42	-1.0	-55.99	366.70	5.18	-50.81
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CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1CC1CCCOC1	REAL000000132080	0	56	-1.0	-59.90	437.39	6.57	-53.33
CC1=NOC(C2(C(=O)NCCOCCOCC(=O)[O-])CCOCC2)=C1	REAL000000132081	0	48	-1.0	-58.37	387.89	3.96	-54.41
CCN1C(=O)CO[C@H](C(=O)NCCOCCOCC(=O)[O-])[C@H]1C1=NC=CN1C	REAL000000132082	0	53	-1.0	-53.32	432.23	3.45	-49.86
CC1=CC(C)=C(C(=O)NCCOCCOCC(=O)[O-])C(C)=C1Br	REAL000000132083	0	44	-1.0	-56.38	384.69	6.57	-49.81
O=C([O-])COCCOCCNC(=O)C1=CC=CC(F)=C1OC(F)(F)F	REAL000000132084	0	39	-1.0	-61.52	356.30	5.67	-55.85
CC(=O)N[C@@H](C(=O)NCCOCCOCC(=O)[O-])C(C)C	REAL000000132085	0	44	-1.0	-55.63	361.23	2.19	-53.44
O=C([O-])COCCOCCNC(=O)C=CC1=CC(C(F)(F)F)=CC=C1Cl	REAL000000132087	0	42	-1.0	-56.32	393.54	7.17	-49.15
CC(=O)N1CCC[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132090	0	42	-1.0	-64.08	348.08	4.21	-59.88
NC(=O)[C@@H]1CC[C@H](C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000132091	0	40	-1.0	-72.35	344.37	0.49	-71.87
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C2CCOC2)=N1	REAL000000132092	0	45	-1.0	-55.80	388.08	3.23	-52.57
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(F)=C1F	REAL000000132093	0	38	-1.0	-61.91	336.85	5.33	-56.58
O=C([O-])COCCOCCNC(=O)C1=CC=C2C=NC=C(Br)C2=N1	REAL000000132094	0	39	-1.0	-58.11	364.70	3.90	-54.21
O=C([O-])COCCOCCNC(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL000000132095	0	38	-1.0	-55.76	363.82	6.25	-49.51
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=C([N+](=O)[O-])C=C2F)C=C1	REAL000000132096	0	44	-1.0	-57.00	398.65	6.36	-50.63
CSC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])S1	REAL000000132097	0	40	-1.0	-55.79	373.08	6.01	-49.78
CC(=O)N[C@H](CC(C)C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000132098	0	47	-1.0	-55.97	376.90	2.66	-53.30
N#CC1=CC=C2C(=C1)CCNC2C(=O)NCCOCCOCC(=O)[O-]	REAL000000132099	1	45	-1.0	-57.05	381.27	4.13	-52.91
O=C([O-])COCCOCCNC(=O)C1CCCN1CC1=CC=C(Cl)C=C1	REAL000000132100	0	50	-1.0	-53.57	419.98	5.39	-48.18
CC1=CN2C=C(C(=O)NCCOCCOCC(=O)[O-])N=C2C=C1	REAL000000132101	0	41	-1.0	-60.22	357.57	5.66	-54.56
O=C([O-])COCCOCCNC(=O)C1=C(Br)C2=CC=CC=C2O1	REAL000000132102	0	38	-1.0	-56.33	355.46	5.56	-50.77
O=C([O-])COCCOCCNC(=O)C1=CN=CC(N2CCCC2)=N1	REAL000000132103	0	45	-1.0	-53.84	378.21	2.36	-51.49
CC1=NC2=CC(C(=O)NCCOCCOCC(=O)[O-])=NN2C(C(F)(F)F)=C1	REAL000000132104	0	43	-1.0	-60.98	392.81	4.85	-56.13
O=C([O-])COCCOCCNC(=O)COC1=CC=C(Br)C=N1	REAL000000132105	0	38	-1.0	-56.91	358.10	3.15	-53.76
O=C([O-])COCCOCCNC(=O)C1CCCN2C=C(C(F)(F)F)N=C12	REAL000000132106	0	45	-1.0	-63.89	389.89	5.91	-57.98
O=C([O-])COCCOCCNC(=O)CC1=C2C=CC=CC2=CC(Cl)=C1	REAL000000132107	0	44	-1.0	-57.05	389.72	7.84	-49.21
O=C([O-])COCCOCCNC(=O)C1=CC2=NC=CC=C2S1	REAL000000132108	0	37	-1.0	-59.21	339.73	4.06	-55.15
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1N1CCOCC1	REAL000000132109	0	51	-1.0	-58.88	413.42	4.78	-54.09
O=C([O-])COCCOCCNC(=O)C1=NC=C2C=CC=CN21	REAL000000132110	0	38	-1.0	-60.66	333.06	5.04	-55.62
O=C([O-])COCCOCCNC(=O)C1=CC=NN1CC1CCC1	REAL000000132111	0	45	-1.0	-55.28	376.21	5.19	-50.09
COC1=CC=C2C=C(C(=O)NCCOCCOCC(=O)[O-])SC2=C1	REAL000000132112	0	42	-1.0	-57.13	374.28	5.26	-51.87
COC1=CC=C2C(CC(=O)NCCOCCOCC(=O)[O-])=COC2=C1C	REAL000000132113	0	48	-1.0	-60.88	407.66	5.65	-55.23
CC1(C(=O)NCCOCCOCC(=O)[O-])OC2=CC=CC=C2NC1=O	REAL000000132114	0	44	-1.0	-56.49	377.40	2.41	-54.09
O=C([O-])COCCOCCNC(=O)CC1=CSC(COC2=CC=CC=C2)=N1	REAL000000132115	0	48	-1.0	-63.38	425.66	5.71	-57.68
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=CC(Cl)=C1F	REAL000000132116	0	35	-1.0	-56.10	343.18	5.64	-50.46
CC1=C2C=CC=C(Cl)C2=NC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132117	0	43	-1.0	-57.42	375.57	6.08	-51.34
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C1=CN(C)N=C1	REAL000000132118	0	48	-1.0	-60.27	404.61	6.36	-53.91
CC(C)(C)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(Cl)=N1	REAL000000132119	0	46	-1.0	-53.85	397.04	5.82	-48.03
O=C([O-])COCCOCCNC(=O)C=CC1=C2C=CC=CC2=C(F)C=C1	REAL000000132120	0	45	-1.0	-57.33	389.07	7.92	-49.42
O=C([O-])COCCOCCNC(=O)C1=CC(Br)=CN=C1F	REAL000000132121	0	34	-1.0	-57.02	326.61	3.34	-53.69
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=NN1	REAL000000132122	0	38	-1.0	-54.29	349.84	2.64	-51.64
CC(C)C1=NOC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132123	0	40	-1.0	-57.33	344.52	3.92	-53.41
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132125	0	49	-1.0	-56.00	410.90	8.10	-47.89
CC1=CC(C)=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000132126	0	38	-1.0	-55.41	336.60	5.02	-50.39
CC1CN(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)CC(C)O1	REAL000000132127	0	54	-1.0	-57.05	431.90	4.89	-52.15
O=C([O-])COCCOCCNC(=O)C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL000000132128	0	37	-1.0	-50.65	359.73	5.40	-45.25
CCOC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000132129	0	52	-1.0	-55.54	433.54	4.57	-50.97
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1	REAL000000132130	0	47	-1.0	-63.01	403.97	5.54	-57.47
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C2C=CC=C(Cl)C2=N1	REAL000000132131	0	43	-1.0	-58.67	379.33	6.17	-52.50
CN1C(=O)COC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C21	REAL000000132132	0	44	-1.0	-59.44	372.87	3.53	-55.90
O=C([O-])COCCOCCNC(=O)C1=CC=CC(C(F)F)=C1F	REAL000000132133	0	38	-1.0	-67.12	343.27	5.53	-61.59
CC1(Br)CC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132134	0	35	-1.0	-56.15	318.60	4.30	-51.86
O=C([O-])COCCOCCNC(=O)C1=CN(CC2CCOC2)N=N1	REAL000000132135	0	45	-1.0	-60.63	382.21	1.83	-58.80
O=C([O-])COCCOCCNC(=O)C1CC(C2=CC=CC(Cl)=C2F)=NO1	REAL000000132136	0	43	-1.0	-72.16	394.27	6.57	-65.59
O=C([O-])COCCOCCNC(=O)C1=CC(F)=C(Br)C=C1F	REAL000000132137	0	35	-1.0	-54.95	337.25	5.30	-49.65
CC1(C)CCC(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL000000132138	0	57	-1.0	-55.89	438.72	9.03	-46.85
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC=C2)CC2(CCC2)C1	REAL000000132139	0	52	-1.0	-56.96	422.33	8.63	-48.32
CC1=CN(C(C)(C)C(=O)NCCOCCOCC(=O)[O-])N=C1C(F)(F)F	REAL000000132140	0	47	-1.0	-64.40	403.40	5.39	-59.02
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1CCCCO1	REAL000000132141	0	48	-1.0	-57.19	374.33	5.38	-51.81
CN1N=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL000000132142	0	41	-1.0	-60.91	357.24	4.52	-56.39
CC1OC(C)C(C(=O)NCCOCCOCC(=O)[O-])C1C	REAL000000132143	0	45	-1.0	-54.45	362.63	3.63	-50.82
CN1C(=O)CN(CC(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000132144	0	40	-1.0	-66.51	353.13	2.18	-64.33
O=C([O-])COCCOCCNC(=O)[C@@H]1CCO[C@H]1C1=CC=C(Cl)C(F)=C1	REAL000000132145	0	46	-1.0	-54.35	406.22	6.03	-48.32
O=C([O-])COCCOCCNC(=O)[C@]12CCC[C@H]1OCC2	REAL000000132146	0	43	-1.0	-56.05	347.37	3.39	-52.66
CC(C)C(C)(CC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000132147	0	53	-1.0	-56.18	407.54	7.76	-48.42
CC1=CC=CC=C1C1(C(=O)NCCOCCOCC(=O)[O-])CCCC1	REAL000000132148	0	51	-1.0	-56.48	397.36	7.70	-48.78
O=C([O-])COCCOCCNC(=O)C1CCC1C1=CC=C(F)C=C1	REAL000000132149	0	45	-1.0	-55.34	373.34	6.96	-48.39
O=C([O-])COCCOCCNC(=O)C1=COC(C(F)F)=C1	REAL000000132150	0	35	-1.0	-60.11	324.17	3.62	-56.49
CSCCCCCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000132151	0	47	-1.0	-55.90	401.07	6.60	-49.30
O=C([O-])COCCOCCNC(=O)C1=C2CCCCN2C(C(F)(F)F)=N1	REAL000000132152	0	45	-1.0	-56.89	388.35	5.48	-51.41
CCC1=C(CC(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C2O1	REAL000000132153	0	47	-1.0	-60.52	396.99	7.08	-53.44
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1C1=CN=CC=N1	REAL000000132154	0	47	-1.0	-61.70	398.19	5.51	-56.19
NC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL000000132155	1	43	-1.0	-57.01	381.44	3.25	-53.76
CC1=CN(C2CCOCC2)N=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132157	0	49	-1.0	-58.07	402.21	3.85	-54.21
COC1=CC=C(Cl)C(C2=NOC(C(=O)NCCOCCOCC(=O)[O-])=C2)=C1	REAL000000132158	0	45	-1.0	-56.58	406.34	5.51	-51.07
CCN1C(=O)CO[C@H](C(=O)NCCOCCOCC(=O)[O-])[C@H]1C1=CC=NN1C	REAL000000132159	0	53	-1.0	-53.86	414.48	5.06	-48.80
NC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL000000132160	0	38	-1.0	-57.49	341.30	2.37	-55.12
COCC1=NOC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132161	0	38	-1.0	-60.14	336.83	1.64	-58.51
CC(C)(C)C1=C(C(=O)NCCOCCOCC(=O)[O-])NC=N1	REAL000000132164	0	44	-1.0	-56.81	356.47	4.53	-52.28
CN1C=NC2=CN=CC(C(=O)NCCOCCOCC(=O)[O-])=C21	REAL000000132165	0	40	-1.0	-57.91	343.71	3.92	-53.99
O=C([O-])COCCOCCNC(=O)C1=CC([N+](=O)[O-])=CC=C1N1C=NN=N1	REAL000000132166	0	42	-1.0	-65.21	379.90	6.02	-59.19
O=C([O-])COCCOCCNC(=O)C1(C2=C3C=CC=CC3=CC=N2)CC1	REAL000000132167	0	47	-1.0	-55.11	397.76	6.76	-48.35
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CSC=C1	REAL000000132168	0	39	-1.0	-54.85	349.00	5.56	-49.30
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C(F)(F)F	REAL000000132169	0	41	-1.0	-57.41	360.08	6.07	-51.34
O=C([O-])COCCOCCNC(=O)C1=CC(OCC2=CC=CC=C2)=CS1	REAL000000132170	0	46	-1.0	-57.72	410.13	6.83	-50.90
CCOC1=CC=CC(CCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132171	0	48	-1.0	-56.00	403.12	6.26	-49.74
CC1=CN2CCC(C(=O)NCCOCCOCC(=O)[O-])CC2=N1	REAL000000132172	0	45	-1.0	-60.35	372.47	5.31	-55.04
CC1=C(F)C=C(S(N)(=O)=O)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132173	0	43	-1.0	-57.78	381.07	0.23	-57.55
CC1=CC=CC2=C1CC(C(=O)NCCOCCOCC(=O)[O-])N2	REAL000000132174	0	44	-1.0	-57.48	369.31	4.40	-53.09
O=C([O-])COCCOCCNC(=O)CC1=C2CCCCN2N=C1	REAL000000132175	0	45	-1.0	-59.25	374.09	4.63	-54.61
COC1=CC(F)=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1	REAL000000132176	0	39	-1.0	-58.37	360.91	4.20	-54.18
CC1(C)OC(=O)C2=CC=CC=C2C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132177	0	48	-1.0	-62.47	399.24	6.47	-56.00
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CC1=CN=C(COCC(=O)NCCOCCOCC(=O)[O-])O1	REAL000000132238	0	41	-1.0	-65.46	362.24	1.17	-64.29
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CC(C)(C)N1C=NC(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000132240	0	43	-1.0	-62.46	366.09	4.83	-57.63
CC1=NC(C(C)C)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132241	0	46	-1.0	-56.00	377.17	5.27	-50.73
CC1=NC(C2CC2)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132242	0	44	-1.0	-56.18	366.80	5.48	-50.71
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COC1=CC=CC(C(C)(C)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132252	0	48	-1.0	-57.52	390.88	5.47	-52.05
COC1=CC=CC=C1C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000132253	0	46	-1.0	-58.19	407.72	6.78	-51.41
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CCOC1COCCC1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000132255	0	49	-1.0	-54.49	393.65	3.51	-50.97
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CCC1(C(=O)NCCOCCOCC(=O)[O-])CCNC1=O	REAL000000132264	0	42	-1.0	-61.43	345.73	0.93	-60.50
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COC1=CN=C(C(=O)NCCOCCOCC(=O)[O-])C(F)=C1	REAL000000132267	0	38	-1.0	-58.59	337.01	2.19	-56.40
CC(C)(C)N1C=CC=C(C(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000132268	0	47	-1.0	-64.46	379.29	5.47	-58.99
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CC1=NN(CC(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000132273	0	44	-1.0	-57.67	373.10	4.58	-53.09
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CC1=CN=C(F)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132278	0	37	-1.0	-61.41	326.74	3.40	-58.02
CC1=CC(F)=NC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132279	0	37	-1.0	-54.04	323.42	3.39	-50.64
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CCCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000132287	0	41	-1.0	-55.36	362.69	5.91	-49.45
CCOCCCCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000132288	0	47	-1.0	-57.07	390.37	4.62	-52.45
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CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)NCCOCCOCC(=O)[O-]	REAL000000132290	0	49	-1.0	-70.18	404.08	3.50	-66.68
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CC(C)(C)C(=O)NCC(=O)OCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000132292	0	53	-1.0	-59.88	445.07	3.74	-56.15
CCN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C2CC2)=N1	REAL000000132294	0	45	-1.0	-60.28	381.91	5.34	-54.95
NC1=CC(F)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132296	0	37	-1.0	-53.69	322.49	2.84	-50.85
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O=C([O-])COCCOCCNC(=O)CCC1=C2C=CC=CC2=CC=C1	REAL000000132298	0	47	-1.0	-56.15	394.24	8.12	-48.03
CC(CCC1=CC=C(F)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000132299	0	47	-1.0	-57.20	395.84	7.41	-49.79
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CCOC(C(=O)NCCOCCOCC(=O)[O-])C1CCCC1	REAL000000132315	0	48	-1.0	-57.91	384.74	6.39	-51.52
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COC(=O)C1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000132318	0	43	-1.0	-60.91	380.96	4.05	-56.86
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CSC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CO1	REAL000000132331	0	36	-1.0	-58.70	333.56	3.75	-54.95
CON1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000132332	0	44	-1.0	-55.59	361.90	2.58	-53.01
O=C([O-])COCCOCCNC(=O)C1=C(C(F)F)N=CS1	REAL000000132335	0	34	-1.0	-59.68	320.86	2.56	-57.12
O=C([O-])COCCOCCNC(=O)CC1=CC=C(Br)C=C1Cl	REAL000000132336	0	38	-1.0	-57.30	365.89	6.26	-51.04
O=C([O-])COCCOCCNC(=O)C1=CC2=C(C3CC3)C=CC=C2N1	REAL000000132337	0	46	-1.0	-57.14	388.33	6.55	-50.59
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O=C([O-])COCCOCCNC(=O)C1=CSC(NC2CC2)=N1	REAL000000132339	0	40	-1.0	-55.89	361.67	3.27	-52.62
CCC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])N=C1	REAL000000132341	0	43	-1.0	-59.10	366.73	5.01	-54.09
CC1CCC2=NNC=C2C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132342	0	45	-1.0	-57.00	362.61	4.06	-52.94
CC1CCC2=C(C=NN2)C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132342	1	45	-1.0	-60.44	366.12	3.88	-56.56
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CSC1=NC=CN=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132345	0	37	-1.0	-58.15	336.20	2.21	-55.93
CN(C)S(=O)(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1F	REAL000000132346	0	46	-1.0	-61.41	402.20	2.55	-58.86
CC1=CC2=C(S1)C(CC(=O)NCCOCCOCC(=O)[O-])=CS2	REAL000000132347	0	41	-1.0	-58.73	379.14	6.46	-52.27
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CC(=O)N(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000132356	0	45	-1.0	-61.98	376.06	5.12	-56.86
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CN1CCC(CC(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000132358	0	42	-1.0	-69.26	350.40	4.23	-65.03
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CCC1CCCC1(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000132360	0	47	-1.0	-55.92	365.37	5.89	-50.03
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CC(SC1=NC(CC(=O)NCCOCCOCC(=O)[O-])=CS1)C(N)=O	REAL000000132365	0	45	-1.0	-68.03	408.37	0.60	-67.43
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NC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1C(F)(F)F	REAL000000132372	0	43	-1.0	-56.36	369.83	3.12	-53.24
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CCN1N=CC(C(=O)NCCOCCOCC(=O)[O-])=C1C1CC1	REAL000000132376	0	45	-1.0	-57.50	376.49	5.02	-52.48
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C[C@H]1CC[C@H](C2=NC(CC(=O)NCCOCCOCC(=O)[O-])=CS2)CC1	REAL000000132383	0	53	-1.0	-56.93	440.63	6.74	-50.20
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CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL000000132386	0	47	-1.0	-55.47	399.72	7.17	-48.29
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(F)C=C1F	REAL000000132387	0	44	-1.0	-56.58	369.67	6.23	-50.34
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C2=CC=C(C)C=C2F)=N1	REAL000000132388	0	47	-1.0	-57.02	414.69	6.73	-50.29
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C2=CC=C(F)C(C)=C2)=N1	REAL000000132389	0	47	-1.0	-55.31	416.29	6.77	-48.54
CCCCC1=NC(C)=C(CC(=O)NCCOCCOCC(=O)[O-])S1	REAL000000132390	0	49	-1.0	-58.21	420.31	6.03	-52.18
CC1=C(CC(=O)NCCOCCOCC(=O)[O-])SC(C2CCC2)=N1	REAL000000132391	0	47	-1.0	-58.41	404.48	5.89	-52.52
CC1=C(CC(=O)NCCOCCOCC(=O)[O-])SC(C2=NN(C)C=C2)=N1	REAL000000132392	0	47	-1.0	-64.18	419.73	4.48	-59.70
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CC(C)C1=C(C(=O)NCCOCCOCC(=O)[O-])N=CS1	REAL000000132406	0	40	-1.0	-56.40	350.79	3.71	-52.70
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CN1CCC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000132412	0	42	-1.0	-62.54	349.72	2.79	-59.76
CC1=C(C2=CC=CO2)N=C(CC(=O)NCCOCCOCC(=O)[O-])S1	REAL000000132413	0	44	-1.0	-63.91	396.94	4.80	-59.11
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CC1=CC=C(Cl)C=C1OCC(=O)NCCOCCOCC(=O)[O-]	REAL000000132415	0	42	-1.0	-57.67	376.08	6.36	-51.31
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CN1CCC(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL000000132419	0	47	-1.0	-57.14	378.30	5.26	-51.88
CC1CN(C)CC(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000132420	0	44	-1.0	-56.92	355.59	1.78	-55.14
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CC(C)CC(C(=O)NCCOCCOCC(=O)[O-])N1C=CN=C1	REAL000000132489	0	47	-1.0	-53.36	389.64	6.66	-46.70
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CN1C(Cl)=NC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132491	0	35	-1.0	-54.68	322.11	3.40	-51.27
CC(C)C1=NC=CN1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000132492	0	44	-1.0	-60.54	372.95	5.12	-55.41
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CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(NCC(F)(F)F)=N1	REAL000000132516	0	45	-1.0	-56.25	398.34	4.31	-51.94
CC1=NOC(C2(C(=O)NCCOCCOCC(=O)[O-])CC2)=C1	REAL000000132517	0	41	-1.0	-55.68	359.65	4.69	-50.99
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NC1=NC(C(=O)NCCOCCOCC(=O)[O-])=NC(N2CCOCC2)=N1	REAL000000132519	0	47	-1.0	-58.68	397.41	3.17	-55.51
CC1=CN2C=CC(C(=O)NCCOCCOCC(=O)[O-])=CC2=N1	REAL000000132520	0	41	-1.0	-62.91	354.26	5.71	-57.19
CN(CCC1=CC=CC=C1)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000132522	1	49	-1.0	-56.14	403.35	5.13	-51.02
CN1CCC(CC2=CC=CC=C2)(C(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000132524	0	52	-1.0	-57.65	414.93	6.76	-50.89
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CN1C(=O)[C@H](O)[C@H](C(=O)NCCOCCOCC(=O)[O-])[C@H]1C1=CC=CC=C1	REAL000000132526	0	50	-1.0	-57.68	416.82	3.73	-53.95
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000132527	0	42	-1.0	-56.74	383.92	5.24	-51.50
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O=C([O-])COCCOCCNC(=O)C1=C2N=CNC2=CC=C1	REAL000000132529	0	38	-1.0	-67.86	330.91	4.35	-63.51
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CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CN=C1F	REAL000000132530	0	37	-1.0	-54.72	327.47	3.35	-51.37
CC1=CC=C2SN=C(C(=O)NCCOCCOCC(=O)[O-])C2=C1	REAL000000132531	0	40	-1.0	-57.12	357.77	5.22	-51.89
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CN1C=NC2=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C21	REAL000000132534	0	41	-1.0	-58.42	344.30	5.81	-52.61
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CC1=NC=C2CCC(C(=O)NCCOCCOCC(=O)[O-])CN12	REAL000000132536	0	45	-1.0	-57.33	370.14	5.24	-52.10
CN1C=CN=C1C(CC(=O)NCCOCCOCC(=O)[O-])C(F)(F)F	REAL000000132537	0	44	-1.0	-54.98	383.32	4.76	-50.22
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132538	0	42	-1.0	-57.87	361.42	5.78	-52.09
COC1=NSC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132539	0	35	-1.0	-53.86	326.28	0.40	-53.46
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CCOC(=O)N(C)CCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000132542	0	48	-1.0	-64.54	404.98	4.30	-60.25
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C)=C2C=CC=CC2=N1	REAL000000132546	0	46	-1.0	-59.22	386.49	5.70	-53.52
N#CC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000132547	0	39	-1.0	-57.85	351.21	5.61	-52.25
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COC1=CC=C(CCCC(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL000000132551	0	52	-1.0	-61.25	432.00	6.03	-55.22
O=C([O-])COCCOCCNC(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL000000132552	0	42	-1.0	-54.41	368.31	6.62	-47.79
O=C([O-])COCCOCCNC(=O)C1=CC=C2OC(=O)N=C2[N-]1	REAL000000132553	0	36	-2.0	-98.13	331.20	-0.41	-98.54
CN1C(=O)CCCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132554	0	42	-1.0	-61.50	344.62	2.79	-58.71
O=C([O-])COCCOCCNC(=O)CC1=C(Br)C=CS1	REAL000000132555	0	35	-1.0	-56.50	340.04	4.89	-51.61
O=C([O-])COCCOCCNC(=O)CNC(=O)N1CCCC1	REAL000000132556	0	44	-1.0	-57.76	368.72	1.95	-55.81
CC1=C(Br)C=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)N1C	REAL000000132557	0	41	-1.0	-61.76	363.25	4.61	-57.15
CC(C)CN1C=CC(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000132558	0	44	-1.0	-59.75	373.95	4.74	-55.01
CCOC1=CC=C(CCCC(=O)NCCOCCOCC(=O)[O-])C=C1OCC	REAL000000132559	0	58	-1.0	-60.69	475.71	7.88	-52.82
O=C([O-])COCCOCCNC(=O)CCCC1=CC=C(Br)C=C1	REAL000000132560	0	44	-1.0	-56.85	394.55	7.42	-49.43
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC(F)=CC(F)=C2)C=C1	REAL000000132561	0	42	-1.0	-57.52	379.93	5.85	-51.67
O=C([O-])COCCOCCNC(=O)CCCCC1=CC=CC=C1	REAL000000132562	0	47	-1.0	-55.91	394.74	7.58	-48.33
O=C([O-])COCCOCCNC(=O)C1=NN2CCCC2=C1Br	REAL000000132563	0	39	-1.0	-60.96	354.38	3.80	-57.16
O=C([O-])COCCOCCNC(=O)C1CCCN(C2=CC=CC=C2)C1=O	REAL000000132564	0	49	-1.0	-62.77	406.34	6.60	-56.17
COC(=O)C1=NC(C(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000132565	0	37	-1.0	-58.90	350.26	2.32	-56.58
O=C([O-])COCCOCCNC(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL000000132566	0	38	-1.0	-60.92	360.20	5.83	-55.09
CC1(C)COC(CC(=O)NCCOCCOCC(=O)[O-])C1	REAL000000132567	0	45	-1.0	-57.56	367.07	4.38	-53.18
CC1=C2OC=C(CC(=O)NCCOCCOCC(=O)[O-])C2=CC=C1Cl	REAL000000132568	0	44	-1.0	-59.33	393.60	6.70	-52.63
CN1N=C(C2=CC=CN=C2)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132571	0	44	-1.0	-57.28	380.63	4.05	-53.23
CN1N=C(C2=CC=NC=C2)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132572	0	44	-1.0	-57.19	380.76	4.07	-53.12
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132573	0	45	-1.0	-63.63	393.44	0.63	-63.00
CCN1N=C(C2CC2)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132574	0	45	-1.0	-55.37	379.54	5.23	-50.15
CC1=CN2N=CC(C(=O)NCCOCCOCC(=O)[O-])=C2N=C1	REAL000000132575	0	40	-1.0	-66.55	351.31	4.09	-62.47
NC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C2C=CC=CC2=C1[N+](=O)[O-]	REAL000000132576	0	45	-1.0	-59.52	389.51	5.97	-53.55
O=C([O-])COCCOCCNC(=O)C=CC1=CC(Br)=CC=C1F	REAL000000132577	0	39	-1.0	-56.68	367.07	6.40	-50.28
COC1=CC=C2C=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=CC2=C1	REAL000000132578	0	49	-1.0	-58.58	415.83	7.28	-51.29
O=C([O-])COCCOCCNC(=O)C1=C(C2CC2)C=C2C=CC=CC2=N1	REAL000000132579	0	47	-1.0	-58.25	392.95	7.02	-51.23
CN1N=C2CCCC2=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132580	0	42	-1.0	-57.95	356.84	4.08	-53.87
CC1=CC=C([N+](=O)[O-])C(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000132581	0	43	-1.0	-69.78	370.76	6.38	-63.40
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(Br)=N1	REAL000000132582	0	35	-1.0	-61.28	329.61	2.78	-58.50
CC1=CN=C(F)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132583	0	37	-1.0	-54.10	323.56	3.39	-50.72
O=C([O-])COCCOCCNC(=O)C1CC2(C1)CC(F)(F)C2	REAL000000132584	0	42	-1.0	-56.65	359.20	5.58	-51.07
CC1=NC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C2C(=O)N1	REAL000000132585	0	43	-1.0	-61.63	373.08	3.47	-58.16
CC1=C(CC(=O)NCCOCCOCC(=O)[O-])SC(CC(F)(F)F)=N1	REAL000000132586	0	43	-1.0	-58.44	397.09	4.86	-53.57
C[C@H](NC(=O)CCC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000132587	0	51	-1.0	-57.07	428.88	5.27	-51.80
N#CC1=C(C(=O)NCCOCCOCC(=O)[O-])NC2=CC=CC=C21	REAL000000132588	0	40	-1.0	-61.59	358.88	4.90	-56.69
O=C([O-])COCCOCCNC(=O)CC1=COC2=C(F)C(F)=CC=C12	REAL000000132589	0	41	-1.0	-59.79	370.97	5.72	-54.07
CCSC1=CC=CC=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000132590	0	45	-1.0	-58.69	389.29	7.00	-51.69
C=CCOC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL000000132591	0	51	-1.0	-59.19	433.65	6.48	-52.71
CCCCC1=C(C=CC(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C2O1	REAL000000132592	0	54	-1.0	-56.98	456.81	9.39	-47.59
O=C([O-])COCCOCCNC(=O)C1=COC2=C1C(=O)NCCC2	REAL000000132593	0	43	-1.0	-71.56	364.24	2.43	-69.12
O=C([O-])COCCOCCNC(=O)C1=CC2=C(Cl)C=NC=C2S1	REAL000000132594	0	37	-1.0	-55.11	355.86	4.66	-50.44
CC1=NC(C)=C(CC(=O)NCCOCCOCC(=O)[O-])S1	REAL000000132595	0	40	-1.0	-58.64	356.60	3.73	-54.92
O=C([O-])COCCOCCNC(=O)COCC1=CC=CC=N1	REAL000000132596	0	41	-1.0	-60.03	357.59	3.90	-56.13
CC1=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=C(C)N1C1CCCCC1	REAL000000132597	0	59	-1.0	-58.31	460.65	9.42	-48.89
CC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C(Br)=C1	REAL000000132598	0	42	-1.0	-57.91	379.94	6.93	-50.98
CC1=CC=CC(C2=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C2)=C1	REAL000000132600	0	48	-1.0	-58.95	401.31	8.65	-50.30
NC(CC1=CC2=CC=CC=C2O1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000132601	1	46	-1.0	-56.37	392.39	3.53	-52.83
CS(=O)(=O)CC[C@H](N)C(=O)NCCOCCOCC(=O)[O-]	REAL000000132603	1	42	-1.0	-68.70	370.30	-2.40	-71.11
O=C([O-])COCCOCCNC(=O)CC1CCC2=C(C=CS2)C1=O	REAL000000132604	0	44	-1.0	-68.85	380.72	7.13	-61.72
O=C([O-])COCCOCCNC(=O)C1=CC=C2OCCCOC2=C1[N+](=O)[O-]	REAL000000132608	0	46	-1.0	-67.98	395.51	6.34	-61.64
COC1(C(=O)NCCOCCOCC(=O)[O-])CCSC1	REAL000000132609	0	40	-1.0	-53.44	337.64	3.10	-50.34
COC1(C(=O)NCCOCCOCC(=O)[O-])CCS(=O)(=O)C1	REAL000000132610	0	42	-1.0	-61.20	357.38	-0.60	-61.80
O=C([O-])COCCOCCNC(=O)C1=CC=CN=C1C(F)F	REAL000000132611	0	37	-1.0	-61.45	326.41	3.67	-57.77
CC1C2=CNN=C2CCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132613	0	45	-1.0	-57.28	365.44	3.84	-53.44
CC12CC3CC(C1)CC(C(=O)NCCOCCOCC(=O)[O-])(C3)C2	REAL000000132614	0	52	-1.0	-55.58	390.70	6.98	-48.59
O=C([O-])COCCOCCNC(=O)C1(C2CCCCC2)CC1	REAL000000132615	0	48	-1.0	-55.21	375.56	6.82	-48.39
O=C([O-])COCCOCCNC(=O)C1(C2=CC=C3OCCOC3=C2)CC1	REAL000000132616	0	48	-1.0	-63.82	401.65	5.40	-58.42
COC1=CC=CC(C(F)F)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132617	0	42	-1.0	-59.59	366.38	4.86	-54.73
CC1=CC=C(F)C(Br)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132618	0	38	-1.0	-54.57	354.71	5.50	-49.06
CC(C)(C)CN1C(=O)NC2=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C21	REAL000000132619	0	54	-1.0	-58.11	424.01	5.83	-52.27
CN1C(=O)C[C@H](C(=O)NCCOCCOCC(=O)[O-])[C@H]1C1=CC=C(F)C=C1	REAL000000132620	0	49	-1.0	-56.38	413.88	5.99	-50.39
CCN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL000000132622	0	48	-1.0	-61.72	405.97	6.74	-54.98
CC1=CC(F)=C2CC(C(=O)NCCOCCOCC(=O)[O-])NC2=C1	REAL000000132626	0	44	-1.0	-59.23	376.64	4.51	-54.73
N#CC1(C(=O)NCCOCCOCC(=O)[O-])CC2CCC1CC2	REAL000000132627	0	46	-1.0	-57.43	365.20	5.63	-51.80
COC(=O)C1=CC(C)=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000132628	0	41	-1.0	-54.46	364.76	4.06	-50.40
CC1=CC=C(C2=NOC(C(=O)NCCOCCOCC(=O)[O-])C2)C=C1	REAL000000132629	0	46	-1.0	-60.82	395.21	6.54	-54.28
CC1=CC=C(C)C(C2=NOC(C(=O)NCCOCCOCC(=O)[O-])C2)=C1	REAL000000132630	0	49	-1.0	-60.68	410.58	7.42	-53.26
CC1CCC2=C(C1)C(C(=O)NCCOCCOCC(=O)[O-])=NN2	REAL000000132631	0	45	-1.0	-58.80	370.67	4.00	-54.80
CC1CCC2=NNC(C(=O)NCCOCCOCC(=O)[O-])=C2C1	REAL000000132631	1	45	-1.0	-55.83	369.54	4.04	-51.79
COC1=CC2=C(C=C1OC)NC(C(=O)NCCOCCOCC(=O)[O-])C2	REAL000000132632	0	49	-1.0	-60.37	407.56	2.98	-57.38
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132633	0	43	-1.0	-58.76	352.09	3.88	-54.87
O=C([O-])COCCOCCNC(=O)C1=CC=CN2N=CC(Br)=C12	REAL000000132634	0	38	-1.0	-64.04	356.31	4.68	-59.36
O=C([O-])COCCOCCNC(=O)C1=CC=C(CN2C=C(Cl)C=N2)S1	REAL000000132635	0	42	-1.0	-60.32	399.15	5.85	-54.47
CN1N=C2CCCCC2=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132636	0	45	-1.0	-55.84	374.34	4.60	-51.24
CCC1=NC(C)=C(CC(=O)NCCOCCOCC(=O)[O-])C(C)=N1	REAL000000132637	0	48	-1.0	-60.08	398.52	4.80	-55.28
O=C([O-])COCCOCCNC(=O)CC(F)(F)C(F)F	REAL000000132638	0	34	-1.0	-60.94	314.53	3.44	-57.49
NC(=O)[C@@H]1CC[C@H](C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000132639	0	42	-1.0	-64.92	350.08	0.81	-64.11
CN1N=C(C2=CC=CC=C2)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132640	0	45	-1.0	-56.85	385.54	5.84	-51.01
CN1N=C(C(F)(F)F)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132641	0	38	-1.0	-54.03	347.41	3.27	-50.76
CC(C)(C)N1CCCC(C(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000132642	0	51	-1.0	-61.11	395.99	5.00	-56.11
O=C([O-])COCCOCCNC(=O)C1=NSC2=CC=CC=C21	REAL000000132643	0	37	-1.0	-56.92	336.43	4.56	-52.36
CC(=O)C1=CN=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132644	0	39	-1.0	-62.03	342.16	3.17	-58.85
O=C([O-])COCCOCCNC(=O)CCCC1=CC=C(C2CC2)C=C1	REAL000000132645	0	51	-1.0	-57.25	422.47	8.90	-48.35
O=C([O-])COCCOCCNC(=O)C1=CC2=C(CCOC2)NC1=O	REAL000000132646	0	43	-1.0	-63.57	361.74	1.77	-61.80
CC1(C(=O)NCCOCCOCC(=O)[O-])CCCS1(=O)=O	REAL000000132647	0	41	-1.0	-68.37	348.12	2.15	-66.21
O=C([O-])COCCOCCNC(=O)C1=NOC(CC2=CC=CC=C2)=C1	REAL000000132648	0	44	-1.0	-56.95	387.76	6.42	-50.53
COC1=CC=C2C=C(C(=O)NCCOCCOCC(=O)[O-])C=NC2=C1	REAL000000132649	0	44	-1.0	-58.79	376.46	4.22	-54.57
CC1=C(C2=CC=CC=C2)N(CC(=O)NCCOCCOCC(=O)[O-])C(=O)S1	REAL000000132650	0	48	-1.0	-65.42	415.33	6.57	-58.85
CC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C	REAL000000132651	0	43	-1.0	-59.44	362.34	5.63	-53.81
O=C([O-])COCCOCCNC(=O)C1CC(C2=CC=CC=N2)=NO1	REAL000000132652	0	42	-1.0	-63.08	370.00	4.12	-58.96
CC1=CC(Br)=C(CC(=O)NCCOCCOCC(=O)[O-])S1	REAL000000132653	0	38	-1.0	-56.73	361.92	5.70	-51.03
CCN1N=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C1CC1	REAL000000132654	0	45	-1.0	-59.43	383.45	5.19	-54.24
CC1(C(=O)NCCOCCOCC(=O)[O-])CC1Br	REAL000000132655	0	35	-1.0	-54.42	318.82	4.26	-50.16
O=C([O-])COCCOCCNC(=O)C1CC(C2=CC(F)=CC=C2F)=NO1	REAL000000132656	0	43	-1.0	-65.70	384.72	6.08	-59.62
O=C([O-])COCCOCCNC(=O)C1CC(C2=CC=CN=C2)=NO1	REAL000000132657	0	42	-1.0	-62.10	368.87	4.09	-58.02
COC1=CC=C(OC)C(C2=NOC(C(=O)NCCOCCOCC(=O)[O-])C2)=C1	REAL000000132658	0	51	-1.0	-65.81	430.57	4.77	-61.04
COC1=CC=CC(C2=NOC(C(=O)NCCOCCOCC(=O)[O-])C2)=C1	REAL000000132659	0	47	-1.0	-68.87	403.05	5.24	-63.63
CC1(C(=O)NCCOCCOCC(=O)[O-])CC(C2=CC=CC=C2)=NO1	REAL000000132660	0	46	-1.0	-55.14	393.13	5.44	-49.71
O=C([O-])COCCOCCNC(=O)C1CC(C2=CC=CC=C2[N+](=O)[O-])=NO1	REAL000000132661	0	45	-1.0	-69.47	392.68	6.02	-63.45
O=C([O-])COCCOCCNC(=O)C1=C(C(F)(F)F)OC=N1	REAL000000132662	0	34	-1.0	-57.37	319.08	0.39	-56.98
CN1N=CC2=C1N(C)C=C(C(=O)NCCOCCOCC(=O)[O-])C2=O	REAL000000132663	0	44	-1.0	-65.72	371.91	4.55	-61.17
CCC(C(=O)NCCOCCOCC(=O)[O-])N1CCOC(CC)C1	REAL000000132664	0	53	-1.0	-55.53	409.38	3.13	-52.39
O=C([O-])COCCOCCNC(=O)CN1N=NC2=C1CCCC2	REAL000000132665	0	44	-1.0	-61.83	368.35	3.68	-58.16
COC1=NN(C)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132666	0	39	-1.0	-65.27	342.70	0.59	-64.67
CCC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1Br	REAL000000132667	0	41	-1.0	-54.73	364.69	6.43	-48.30
O=C([O-])COCCOCCNC(=O)C(F)(F)C1=NC=CC=C1Br	REAL000000132668	0	37	-1.0	-57.41	350.25	4.67	-52.74
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CC(F)=C2)=NO1	REAL000000132669	0	44	-1.0	-55.26	391.78	6.59	-48.67
COC1=CC=CC(C(F)(F)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132670	0	42	-1.0	-56.54	369.46	4.63	-51.91
O=C([O-])COCCOCCNC(=O)C1=CC=CN(CC(F)(F)F)C1=O	REAL000000132671	0	41	-1.0	-69.10	366.54	4.90	-64.20
CC1=CC(C#N)=CC(C)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000132672	0	45	-1.0	-57.44	385.20	6.65	-50.79
COC1=NC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000132673	0	41	-1.0	-58.95	362.17	0.46	-58.48
COC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(Br)S1	REAL000000132675	0	39	-1.0	-56.87	375.18	5.19	-51.68
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CCN1C=C(Cl)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132677	0	39	-1.0	-54.81	349.49	5.38	-49.42
CC1=NNC2=C(C(=O)NCCOCCOCC(=O)[O-])C=CC=C12	REAL000000132678	0	41	-1.0	-61.53	352.12	3.94	-57.59
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CC1=CC(C)=C(C(=O)NCCOCCOCC(=O)[O-])C(C)=N1	REAL000000132685	0	43	-1.0	-55.37	365.37	4.30	-51.07
CC1=CC=CC=C1C1=NOC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000132686	0	46	-1.0	-64.88	389.03	6.81	-58.07
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CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C2CCCC2)=N1	REAL000000132692	0	48	-1.0	-60.17	393.40	5.47	-54.71
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CC(N)C1=NC(C(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000132694	0	39	-1.0	-55.98	350.68	-0.03	-56.01
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O=C([O-])COCCOCCNC(=O)C1=CC=NC2=C1CCN2	REAL000000132697	0	40	-1.0	-57.15	339.04	2.91	-54.24
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CCOC(=O)N1CSCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132700	0	44	-1.0	-64.16	383.49	4.23	-59.93
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CC(SC1=CC=C(F)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000132704	0	42	-1.0	-55.62	373.80	6.21	-49.41
O=C([O-])COCCOCCNC(=O)C1=C(C(F)F)SC=C1	REAL000000132705	0	35	-1.0	-61.06	324.78	4.54	-56.52
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CC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1Cl	REAL000000132709	0	41	-1.0	-55.94	365.82	6.32	-49.62
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CC1=NN(CCCC(=O)NCCOCCOCC(=O)[O-])C(C)=C1	REAL000000132713	0	47	-1.0	-60.95	396.79	5.11	-55.84
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CC1=C(Br)C=CC(F)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132715	0	38	-1.0	-57.35	353.29	5.50	-51.85
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O=C([O-])COCCOCCNC(=O)C1=C2C=CC(Cl)=CC2=NC=C1	REAL000000132717	0	40	-1.0	-56.01	358.62	5.41	-50.60
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CC(C)C1CC(C(=O)NCCOCCOCC(=O)[O-])CCO1	REAL000000132721	0	48	-1.0	-54.78	375.43	4.42	-50.36
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COC(=O)C1=CC=CN(CC(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000132731	0	44	-1.0	-75.93	387.46	5.35	-70.58
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COC1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000132733	0	44	-1.0	-57.14	378.80	2.71	-54.42
CC1=CC=C(C#N)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132734	0	39	-1.0	-56.04	342.60	5.62	-50.41
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CC1(C(=O)NCCOCCOCC(=O)[O-])CCOC2=CC=CC=C21	REAL000000132738	0	46	-1.0	-54.80	369.28	5.47	-49.33
O=C([O-])COCCOCCNC(=O)C1=CN=C2C=CC=CC2=C1O	REAL000000132739	0	41	-1.0	-58.34	354.96	3.49	-54.86
O=C([O-])COCCOCCNC(=O)C1=CNC2=CC=CC=C2C1=O	REAL000000132739	1	41	-1.0	-64.95	354.75	4.66	-60.29
O=C([O-])COCCOCCNC(=O)C1=C2CCCCC2=NO1	REAL000000132740	0	41	-1.0	-54.38	345.82	4.33	-50.05
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C2NC1=O	REAL000000132741	0	44	-1.0	-56.63	378.00	4.06	-52.57
COC1=CC=C2NC=CC2=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132742	0	43	-1.0	-64.19	369.89	3.75	-60.45
O=C([O-])COCCOCCNC(=O)C1=CN2C=CNC(=O)C2=N1	REAL000000132743	0	38	-1.0	-68.03	341.56	2.02	-66.01
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132744	0	41	-1.0	-57.05	369.60	6.23	-50.83
CCOC(=O)NC1=CC=C(F)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132745	0	46	-1.0	-62.11	399.36	3.79	-58.32
CN1C=C(N2CC(C(=O)NCCOCCOCC(=O)[O-])CCC2=O)C=N1	REAL000000132746	0	49	-1.0	-61.78	403.28	3.86	-57.91
CCOC(=O)NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1	REAL000000132747	0	46	-1.0	-63.04	407.19	4.24	-58.80
COC(=O)NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1	REAL000000132748	0	43	-1.0	-63.43	385.33	3.31	-60.12
CC(=O)NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1Cl	REAL000000132749	0	42	-1.0	-58.46	375.74	4.07	-54.39
O=C([O-])COCCOCCNC(=O)CC1CC(=O)NC2=CC=CC=C21	REAL000000132750	0	46	-1.0	-56.90	384.12	4.20	-52.71
COC(=O)NC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1F	REAL000000132751	0	43	-1.0	-62.74	377.72	2.87	-59.87
COC(=O)C1CCCN(CC(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000132752	0	48	-1.0	-59.94	403.23	4.83	-55.11
CC1=C(Br)OC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132753	0	35	-1.0	-53.33	332.46	3.92	-49.41
COC1=C(C(=O)NCCOCCOCC(=O)[O-])C=CN=C1F	REAL000000132754	0	38	-1.0	-58.56	336.61	3.31	-55.25
COC(=O)NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(C)=C1	REAL000000132755	0	46	-1.0	-59.10	388.82	3.47	-55.63
O=C([O-])COCCOCCNC(=O)C1=CC=C2C(=C1)NC(=O)N2CC1CC1	REAL000000132756	0	49	-1.0	-60.69	417.14	5.94	-54.75
CC1=C(Br)C=C(F)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132757	0	38	-1.0	-52.54	346.04	5.82	-46.72
CC1=CC(Cl)=NC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132758	0	37	-1.0	-55.33	341.31	3.91	-51.41
CNC(=O)NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000132759	0	44	-1.0	-65.50	376.86	2.08	-63.42
CCOC(=O)NC1=CC=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132760	0	46	-1.0	-59.83	407.32	4.23	-55.59
CC1=NN(CC(F)F)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132761	0	41	-1.0	-61.72	362.22	4.08	-57.65
CC(C)CN1C=CC=C(C(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000132762	0	47	-1.0	-67.35	387.90	5.78	-61.57
O=C([O-])COCCOCCNC(=O)C1=NC(Br)=C2C=CC=CN12	REAL000000132763	0	38	-1.0	-59.31	354.78	5.52	-53.79
CCC(C)(C)C1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132764	0	50	-1.0	-54.43	383.20	7.31	-47.12
CC(C)(C)CC(C)(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000132765	0	49	-1.0	-53.61	361.60	6.04	-47.57
N#CC1(C(=O)NCCOCCOCC(=O)[O-])CCSCC1	REAL000000132766	0	40	-1.0	-51.63	344.79	4.31	-47.32
CC(C)(C)CC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132767	0	50	-1.0	-54.87	389.57	7.37	-47.50
O=C([O-])COCCOCCNC(=O)C1(C2=CC=C3OCOC3=C2)CC1	REAL000000132768	0	45	-1.0	-58.35	382.76	4.92	-53.43
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(CO)=NO1	REAL000000132769	0	38	-1.0	-57.12	340.47	0.02	-57.10
CC(C(=O)NCCOCCOCC(=O)[O-])N1CSCCSC1	REAL000000132770	0	45	-1.0	-57.27	381.42	3.30	-53.97
CCC1CCC2=C(C=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)N2)C1	REAL000000132771	0	51	-1.0	-62.86	410.25	5.45	-57.41
CCS(=O)(=O)C1=CNC(=O)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132772	0	44	-1.0	-69.37	390.48	0.15	-69.22
O=C([O-])COCCOCCNC(=O)C1=CC=C(Br)NC1=O	REAL000000132773	0	35	-1.0	-58.38	329.23	2.25	-56.14
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2CC2)NC1=O	REAL000000132774	0	42	-1.0	-62.10	357.54	4.01	-58.09
CC1=C2NC(C(=O)NCCOCCOCC(=O)[O-])=CC2=C(Br)C=C1	REAL000000132775	0	42	-1.0	-57.37	381.68	5.73	-51.64
O=C([O-])COCCOCCNC(=O)C1=CC2=CNC=CC2=N1	REAL000000132776	0	38	-1.0	-76.15	335.53	2.83	-73.32
CC(C)(C)C1=CC=C2NC(C(=O)NCCOCCOCC(=O)[O-])=CC2=C1	REAL000000132777	0	51	-1.0	-56.28	415.41	6.80	-49.48
CC1=CC=C2NC(C(=O)NCCOCCOCC(=O)[O-])=CC2=C1Br	REAL000000132778	0	42	-1.0	-57.92	378.53	5.65	-52.28
O=C([O-])COCCOCCNC(=O)CC1=CNC2=CN=C(Cl)C=C12	REAL000000132779	0	41	-1.0	-64.77	373.85	3.95	-60.82
CCOC1=CC=CC=C1[C@@H](N)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000132780	1	50	-1.0	-58.29	412.46	3.49	-54.80
CC1=C2C=C(C(=O)NCCOCCOCC(=O)[O-])OC2=C(F)C=C1	REAL000000132781	0	41	-1.0	-57.14	364.35	5.65	-51.50
CCOC1=CC=CC=C1[C@H](N)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000132782	1	50	-1.0	-55.57	410.06	3.51	-52.06
O=C([O-])COCCOCCNC(=O)[C@@H]1CC[C@H](C(F)(F)F)O1	REAL000000132786	0	39	-1.0	-61.39	345.96	3.94	-57.45
CC1=C(C)N2N=CC(C(=O)NCCOCCOCC(=O)[O-])=C2C=C1	REAL000000132787	0	44	-1.0	-61.78	372.23	5.44	-56.34
O=C([O-])COCCOCCNC(=O)C1CNC2=CC=CC=C21	REAL000000132789	0	41	-1.0	-58.26	347.41	3.50	-54.76
O=C([O-])COCCOCCNC(=O)C1(C(=O)[O-])C[NH2+]CCO1	REAL000000132790	0	41	-1.0	-85.72	344.12	1.61	-84.11
O=C([O-])COCCOCCNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000132790	1	40	-2.0	-119.17	343.06	0.32	-118.85
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132791	0	42	-1.0	-56.93	361.80	4.25	-52.68
CC(C)(C)C1=CC=C(CSCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000132792	0	54	-1.0	-58.11	450.98	8.93	-49.18
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=CC=C2)=CC=N1	REAL000000132793	0	44	-1.0	-58.54	377.56	6.27	-52.28
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=CN2C=N1	REAL000000132794	0	38	-1.0	-59.95	334.97	6.07	-53.88
CC1=C2C=CC=NC2=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000132798	0	43	-1.0	-65.57	362.53	5.89	-59.68
O=C([O-])COCCOCCNC(=O)C1=C2C=COC2=C(F)C=C1	REAL000000132799	0	38	-1.0	-58.76	337.26	4.93	-53.83
C=CC1(CC(=O)NCCOCCOCC(=O)[O-])CCCCC1	REAL000000132800	0	48	-1.0	-53.62	366.76	6.01	-47.61
O=C([O-])COCCOCCNC(=O)C1=C2C=COC2=C(Cl)C=C1	REAL000000132801	0	38	-1.0	-58.25	347.59	5.38	-52.87
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O=C([O-])COCCOCCNC(=O)C1=C(F)C=CC2=C1OCO2	REAL000000132804	0	38	-1.0	-60.70	342.16	3.13	-57.57
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CC1=C2C=C(C(=O)NCCOCCOCC(=O)[O-])OC2=CC=C1	REAL000000132806	0	41	-1.0	-56.43	357.94	5.58	-50.85
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NC1=NC(C2CCCC2)=NC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132810	0	48	-1.0	-54.49	391.96	4.29	-50.21
CC(C)[C@H](C(=O)NCCOCCOCC(=O)[O-])N1CC2=CC=CC=C2C1=O	REAL000000132811	0	52	-1.0	-65.87	424.25	8.62	-57.25
NC1=NC(C2CC2)=NC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132812	0	42	-1.0	-55.09	358.57	3.34	-51.74
CC(C)C[C@H](C(=O)NCCOCCOCC(=O)[O-])N1CC2=CC=CC=C2C1=O	REAL000000132813	0	55	-1.0	-65.38	447.29	8.68	-56.69
CC(C)N1C=CC(CC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000132814	0	44	-1.0	-61.78	372.61	4.36	-57.41
CCC1=C(C)C=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)N1	REAL000000132815	0	44	-1.0	-63.58	368.09	3.62	-59.96
CN1CC(C(=O)NCCOCCOCC(=O)[O-])NCC1=O	REAL000000132816	0	41	-1.0	-58.69	345.11	-0.76	-59.45
COC1=CC=CN2N=CC(C(=O)NCCOCCOCC(=O)[O-])=C12	REAL000000132819	0	42	-1.0	-64.10	359.32	4.93	-59.17
O=C([O-])COCCOCCNC(=O)C1=CC=C2CCNCC2=N1	REAL000000132820	1	43	-1.0	-56.72	360.98	1.48	-55.24
CC1NCCN2C(C(=O)NCCOCCOCC(=O)[O-])=CC=C12	REAL000000132823	1	45	-1.0	-57.20	366.61	2.70	-54.51
O=C([O-])COCCOCCNC(=O)C1=CC=C2CCNC2=C1	REAL000000132824	0	41	-1.0	-58.36	345.70	3.73	-54.63
O=C([O-])COCCOCCNC(=O)CC1CNC2=CC=CC=C21	REAL000000132825	0	44	-1.0	-55.10	367.27	4.23	-50.87
O=C([O-])COCCOCCNC(=O)C1=CN(C2CCC2)N=C1	REAL000000132826	0	42	-1.0	-57.23	356.08	4.28	-52.96
O=C([O-])COCCOCCNC(=O)C1=CC2=NC=CC=C2O1	REAL000000132827	0	37	-1.0	-58.36	331.81	3.11	-55.24
COCCCOC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000132828	0	52	-1.0	-59.00	426.80	5.43	-53.57
CN1N=CC(N)=C1CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000132829	0	43	-1.0	-56.51	367.34	1.51	-55.00
COC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1C(F)(F)F	REAL000000132832	0	45	-1.0	-54.02	389.39	6.27	-47.75
O=C([O-])COCCOCCNC(=O)C1=CC=NN1C1CCC1	REAL000000132833	0	42	-1.0	-55.59	353.37	4.49	-51.10
CC1=CC=C2N=C(C3=CC=CO3)C=C(C(=O)NCCOCCOCC(=O)[O-])C2=C1	REAL000000132834	0	50	-1.0	-59.03	425.57	7.36	-51.66
O=C([O-])COCCOCCNC(=O)CC1CNCCS1(=O)=O	REAL000000132835	0	43	-1.0	-63.48	361.58	-0.80	-64.28
CC1=C(C=CC(=O)NCCOCCOCC(=O)[O-])SC=N1	REAL000000132837	0	38	-1.0	-56.56	345.05	3.54	-53.02
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(Cl)C=C1	REAL000000132838	0	39	-1.0	-55.49	356.99	6.25	-49.24
CCOC1=CC2=C(C=C1C=CC(=O)NCCOCCOCC(=O)[O-])OC(C)C2	REAL000000132839	0	54	-1.0	-60.22	447.47	6.65	-53.56
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=C1OCC2	REAL000000132840	0	40	-1.0	-62.36	340.66	5.33	-57.02
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C(C(C)(C)C)O1	REAL000000132841	0	47	-1.0	-55.36	391.71	6.11	-49.25
CC1=CC(CCC(=O)NCCOCCOCC(=O)[O-])=NO1	REAL000000132842	0	40	-1.0	-58.23	348.66	4.15	-54.08
CC(C)(C)C1=NC=C(C=CC(=O)NCCOCCOCC(=O)[O-])S1	REAL000000132844	0	47	-1.0	-56.73	406.73	5.51	-51.22
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL000000132845	0	46	-1.0	-56.96	414.91	8.58	-48.38
CS(=O)(=O)NC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000132846	0	47	-1.0	-64.07	417.12	2.36	-61.71
O=C([O-])COCCOCCNC(=O)C=CC1=CN=CC(F)=C1	REAL000000132847	0	38	-1.0	-56.03	341.57	4.02	-52.01
CCC(C)OC1=CC=CC=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000132848	0	52	-1.0	-59.83	429.16	7.49	-52.34
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C2C=CC(Cl)=CC2=N1	REAL000000132849	0	44	-1.0	-58.67	400.73	6.86	-51.81
O=C([O-])COCCOCCNC(=O)C=CC1=CC=CC(OC2CCCC2)=C1	REAL000000132850	0	53	-1.0	-57.79	434.96	7.95	-49.84
O=C([O-])COCCOCCNC(=O)C1=C(C2CC2)OC(C2CC2)=C1	REAL000000132851	0	46	-1.0	-56.36	392.46	7.32	-49.04
CC1=CC=CC=C1C(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000132852	0	44	-1.0	-57.10	363.54	6.31	-50.80
O=C([O-])COCCOCCNC(=O)C1=CN2N=CC(Br)=C2C=C1	REAL000000132853	0	38	-1.0	-56.71	354.55	4.94	-51.77
CCC1=CC=C(Br)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132854	0	41	-1.0	-53.72	361.27	6.58	-47.14
COC1=CC(Br)=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132855	0	39	-1.0	-55.61	356.50	4.48	-51.13
O=C([O-])COCCOCCNC(=O)[C@@H]1CSCC(=O)N1	REAL000000132857	0	37	-1.0	-56.84	330.09	0.90	-55.95
O=C([O-])COCCOCCNC(=O)C1=C2C(Br)=CC=CN2N=C1	REAL000000132858	0	38	-1.0	-61.16	350.93	4.77	-56.39
CCSC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000132859	0	41	-1.0	-55.00	364.92	4.86	-50.13
O=C([O-])COCCOCCNC(=O)C1=C(C2CC2)N=NS1	REAL000000132860	0	37	-1.0	-54.03	337.23	3.33	-50.70
O=C([O-])COCCOCCNC(=O)C1=CC(C(F)(F)F)=NO1	REAL000000132861	0	34	-1.0	-51.74	325.88	2.95	-48.79
COCCN1N=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132862	0	42	-1.0	-56.51	361.42	2.19	-54.32
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])N(C)C1=O	REAL000000132863	0	39	-1.0	-62.26	337.88	3.28	-58.97
O=C([O-])COCCOCCNC(=O)C1=CN2C=C(Cl)C=NC2=N1	REAL000000132864	0	37	-1.0	-60.01	347.78	6.06	-53.94
CSC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)O1	REAL000000132865	0	39	-1.0	-55.02	353.41	4.57	-50.45
CN1C=C(Br)C(C(=O)NCCOCCOCC(=O)[O-])=CC1=O	REAL000000132866	0	38	-1.0	-58.81	347.35	3.96	-54.85
CC1=C(OCC(=O)NCCOCCOCC(=O)[O-])C(=O)C=CO1	REAL000000132867	0	41	-1.0	-70.18	362.40	4.47	-65.71
CC(C)C1=NC=C(Br)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000132868	0	42	-1.0	-53.71	377.82	4.42	-49.29
O=C([O-])COCCOCCNC(=O)CCC1=CC(F)=CC=C1[N+](=O)[O-]	REAL000000132869	0	43	-1.0	-61.33	377.70	6.46	-54.87
O=C([O-])COCCOCCNC(=O)CCC1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL000000132870	0	43	-1.0	-63.51	388.17	6.94	-56.57
O=C([O-])COCCOCCNC(=O)C1=NC(C2CC2)=NC=C1Br	REAL000000132871	0	40	-1.0	-54.02	366.86	4.89	-49.13
O=C([O-])COCCOCCNC(=O)C1=CC(C(F)F)=NC=N1	REAL000000132872	0	36	-1.0	-55.41	332.69	3.48	-51.93
O=C([O-])COCCOCCNC(=O)CN1N=C(C(F)F)C=C1C(F)F	REAL000000132873	0	41	-1.0	-60.28	375.93	4.10	-56.18
O=C([O-])COCCOCCNC(=O)C1=CC=C(C(F)(F)F)O1	REAL000000132874	0	35	-1.0	-52.99	331.12	3.78	-49.21
CCC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(Cl)=N1	REAL000000132875	0	40	-1.0	-54.10	360.06	4.64	-49.46
CN(CCCC(=O)NCCOCCOCC(=O)[O-])C(=O)C1=CC=NC=C1	REAL000000132876	0	50	-1.0	-67.18	419.21	4.46	-62.72
CC1(C)C(C)(C)C1(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000132877	0	47	-1.0	-54.87	358.98	5.55	-49.31
CCC1=NOC(COCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000132878	0	43	-1.0	-64.55	377.89	1.82	-62.72
O=C([O-])COCCOCCNC(=O)CC1CCC(C(F)(F)F)O1	REAL000000132879	0	42	-1.0	-58.61	365.93	4.35	-54.26
COC1=CC=C2N=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=CC2=C1	REAL000000132880	0	47	-1.0	-57.61	392.65	4.87	-52.74
CC1=CC=C(Br)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000132881	0	37	-1.0	-57.23	340.85	4.07	-53.17
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC(F)F)C=C1F	REAL000000132882	0	39	-1.0	-60.08	349.42	4.22	-55.87
CC1=CC=CC=C1C1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132883	0	48	-1.0	-57.24	394.69	8.45	-48.79
CC1=CC=C2C(=C1)C=CC(C)=C2C(=O)NCCOCCOCC(=O)[O-]	REAL000000132884	0	47	-1.0	-57.51	395.52	7.76	-49.75
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(OC(F)(F)F)=C1	REAL000000132885	0	42	-1.0	-59.21	370.94	6.26	-52.95
CC1=NN(C)C=C1C1=NOC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000132886	0	46	-1.0	-69.26	396.82	4.44	-64.83
O=C([O-])COCCOCCNC(=O)C1=CC=NC(C2=CC=CO2)=C1	REAL000000132887	0	41	-1.0	-60.40	362.67	4.54	-55.86
O=C([O-])COCCOCCNC(=O)C1=CN=CC(C(F)(F)F)=N1	REAL000000132888	0	36	-1.0	-53.16	337.52	1.95	-51.20
O=C([O-])COCCOCCNC(=O)CN1N=C(C(F)(F)F)C2=C1CCCC2	REAL000000132889	0	48	-1.0	-59.05	411.63	5.80	-53.25
CN1C(=O)CCC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C21	REAL000000132890	0	46	-1.0	-61.54	382.40	5.48	-56.06
O=C([O-])COCCOCCNC(=O)CCNC(=O)C=CCl	REAL000000132891	0	39	-1.0	-61.82	360.17	1.71	-60.11
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CN=C1Br	REAL000000132892	0	37	-1.0	-54.53	340.39	3.84	-50.68
CCCOC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C2C=CC=CC2=N1	REAL000000132893	0	50	-1.0	-62.16	420.35	6.43	-55.73
CC1=CC=C2CC(C)(C(=O)NCCOCCOCC(=O)[O-])OC(=O)C2=C1	REAL000000132894	0	48	-1.0	-56.05	402.39	6.80	-49.26
O=C([O-])COCCOCCNC(=O)C1=CC(Br)=CN=C1C1CC1	REAL000000132895	0	41	-1.0	-53.34	369.44	5.70	-47.64
O=C([O-])COCCOCCNC(=O)C1(N2C=C(Br)C=N2)CC1	REAL000000132896	0	39	-1.0	-52.41	363.75	4.18	-48.24
O=C([O-])COCCOCCNC(=O)C1=CC=NC(C2=CC=CC=N2)=N1	REAL000000132897	0	42	-1.0	-60.35	373.33	4.01	-56.35
O=C([O-])COCCOCCNC(=O)C1=C2C=COC2=CC=N1	REAL000000132898	0	37	-1.0	-59.32	328.18	3.16	-56.16
O=C([O-])COCCOCCNC(=O)C1=CC=CC(NC2=NC=CS2)=C1	REAL000000132899	0	43	-1.0	-60.15	380.94	4.96	-55.18
CCCC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(=O)N1	REAL000000132900	0	44	-1.0	-62.19	375.08	3.58	-58.61
O=C([O-])COCCOCCNC(=O)C1=CNC(=O)C(C(F)(F)F)=C1	REAL000000132901	0	38	-1.0	-58.91	347.29	2.52	-56.39
CCSC1=CNC(=O)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132902	0	42	-1.0	-64.18	369.46	3.61	-60.57
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=CC=C2OC1C(F)F	REAL000000132903	0	44	-1.0	-58.14	381.41	5.88	-52.26
O=C([O-])COCCOCCNC(=O)CC1=CC=CC(C(F)(F)F)=N1	REAL000000132904	0	40	-1.0	-61.32	363.54	4.60	-56.72
CCOC1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000132905	0	44	-1.0	-60.25	377.85	3.14	-57.11
O=C([O-])COCCOCCNC(=O)C1=CC(=O)NC2=C1CCCC2	REAL000000132906	0	45	-1.0	-58.33	367.76	3.89	-54.44
O=C([O-])COCCOCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	REAL000000132907	0	52	-1.0	-60.36	415.88	2.11	-58.25
O=C([O-])COCCOCCNC(=O)C1=CC(F)=C(OC2=CC=CC=C2)C(F)=C1	REAL000000132909	0	46	-1.0	-55.70	408.52	7.62	-48.09
O=C([O-])COCCOCCNC(=O)C1=C2N=C(C(F)F)NC2=CC=C1	REAL000000132910	0	41	-1.0	-68.95	365.82	4.41	-64.53
O=C([O-])COCCOCCNC(=O)C1=C2NC(C(F)F)=NC2=CC=C1	REAL000000132910	1	41	-1.0	-59.98	364.57	4.34	-55.64
O=C([O-])COCCOCCNC(=O)C1=CC(=O)NC=C1Br	REAL000000132911	0	35	-1.0	-58.64	327.16	2.08	-56.56
CC(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)N1	REAL000000132912	0	44	-1.0	-62.02	368.53	3.77	-58.24
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(Br)=NN1	REAL000000132913	0	35	-1.0	-54.55	332.71	1.96	-52.59
O=C([O-])COCCOCCNC(=O)C1=CN=C(F)C(Cl)=C1	REAL000000132914	0	34	-1.0	-53.68	323.33	3.20	-50.48
CC1=CC(C(F)(F)C(=O)NCCOCCOCC(=O)[O-])=CN=C1Cl	REAL000000132915	0	40	-1.0	-52.34	370.60	4.55	-47.79
O=C([O-])COCCOCCNC(=O)C1=CN2CCCCC2=N1	REAL000000132916	0	42	-1.0	-59.99	353.06	4.73	-55.26
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000132917	0	43	-1.0	-70.76	377.68	1.13	-69.64
CC1=NC2=C(C(=O)NCCOCCOCC(=O)[O-])C=CN=C2N1	REAL000000132918	0	40	-1.0	-66.35	348.12	3.44	-62.91
CC(C)C1CCC2=C(C=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)N2)C1	REAL000000132919	0	54	-1.0	-62.69	426.94	5.92	-56.77
CC1=NN(CC(=O)NCCOCCOCC(=O)[O-])C2=NC=CC=C12	REAL000000132920	0	43	-1.0	-65.73	375.90	4.60	-61.13
CCCOC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(F)C=C1C	REAL000000132921	0	51	-1.0	-59.94	423.27	7.93	-52.00
CN1N=C(C2CC2)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132922	0	42	-1.0	-55.32	358.18	4.38	-50.95
O=C([O-])COCCOCCNC(=O)C1=CC=C(CN2CCCCC2)O1	REAL000000132923	1	50	-1.0	-56.40	408.66	4.31	-52.09
C[C@H](NC(=O)CN1C=NN=N1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000132924	0	43	-1.0	-66.60	377.68	1.13	-65.47
O=C([O-])COCCOCCNC(=O)C1COC2=C(F)C=C(F)C=C2C1	REAL000000132925	0	43	-1.0	-54.42	372.78	5.22	-49.20
O=C([O-])COCCOCCNC(=O)C1=CC=C(CC2CC2)S1	REAL000000132926	0	42	-1.0	-55.54	372.80	6.69	-48.85
COC1=CC(CC(=O)NCCOCCOCC(=O)[O-])=CC(OC)=C1	REAL000000132927	0	46	-1.0	-60.34	389.36	3.83	-56.51
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CC1=C2NC(C(=O)NCCOCCOCC(=O)[O-])=CC2=CC=C1[N+](=O)[O-]	REAL000000132929	0	44	-1.0	-56.26	385.58	5.77	-50.49
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CC1(C)CC2(CC(C(=O)NCCOCCOCC(=O)[O-])C2)C1	REAL000000132952	0	48	-1.0	-54.53	383.29	6.41	-48.12
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COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(OC)=N1	REAL000000132956	0	42	-1.0	-59.53	362.85	1.30	-58.23
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CN1CC(C(=O)NCCOCCOCC(=O)[O-])CCC1=O	REAL000000132959	0	42	-1.0	-57.54	348.17	2.79	-54.75
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CC1=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=CC=C1F	REAL000000132962	0	42	-1.0	-55.94	366.95	6.44	-49.50
O=C([O-])COCCOCCNC(=O)C=CC1=CN=CS1	REAL000000132963	0	35	-1.0	-56.50	325.59	3.02	-53.49
COCCOC1=CC=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132964	0	50	-1.0	-60.53	425.22	5.25	-55.28
O=C([O-])COCCOCCNC(=O)C=CC1=CC=CC=C1N1C=CC=N1	REAL000000132965	0	46	-1.0	-64.17	397.83	7.21	-56.96
COC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000132966	0	46	-1.0	-58.22	407.28	6.12	-52.10
COC1=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=CC=C1C(F)(F)F	REAL000000132967	0	46	-1.0	-57.59	407.14	6.15	-51.44
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000132968	0	45	-1.0	-55.64	396.48	7.28	-48.36
CC1=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=CC=C1C(F)(F)F	REAL000000132969	0	45	-1.0	-55.78	394.58	7.25	-48.53
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(C2CC2)C=C1	REAL000000132970	0	46	-1.0	-56.17	389.45	7.84	-48.33
CCOC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1C	REAL000000132971	0	49	-1.0	-57.08	411.58	6.74	-50.34
CC1=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=CC=C1OC(C)C	REAL000000132972	0	52	-1.0	-57.04	429.50	7.36	-49.67
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O=C([O-])COCCOCCNC(=O)C=CC1=CC=C2OCC(=O)NC2=C1	REAL000000132977	0	45	-1.0	-60.17	390.98	2.97	-57.19
CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=C(C(C)N)S1	REAL000000132979	1	42	-1.0	-56.95	367.51	0.77	-56.18
CCC(=O)NC1=CN=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000132981	0	44	-1.0	-66.68	377.23	2.50	-64.18
NC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1F	REAL000000132982	0	40	-1.0	-54.48	345.04	2.39	-52.09
COC1=CC=C(F)C2=C1CC(C(=O)NCCOCCOCC(=O)[O-])N2	REAL000000132984	0	45	-1.0	-61.94	384.71	2.88	-59.07
COC1=CC=CC2=C1CCC2(N)C(=O)NCCOCCOCC(=O)[O-]	REAL000000132985	1	48	-1.0	-57.71	394.70	2.73	-54.98
CC(N)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(Br)=C1	REAL000000132987	1	43	-1.0	-54.47	378.50	3.57	-50.90
COC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(Cl)=C1Cl	REAL000000132990	0	36	-1.0	-54.35	360.67	5.02	-49.33
COCC1CCN(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)C1	REAL000000132991	0	54	-1.0	-56.24	437.03	4.73	-51.51
O=C([O-])COCCOCCNC(=O)CC(C(F)F)N1C=CC=N1	REAL000000132993	0	41	-1.0	-58.42	356.49	4.18	-54.24
NC(CC1=NC=CS1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000132995	1	39	-1.0	-56.38	349.00	0.13	-56.25
COC1=CC=CC(C)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000132997	0	42	-1.0	-60.41	358.17	4.29	-56.12
CC1(C(=O)NCCOCCOCC(=O)[O-])CCC(F)(F)C1	REAL000000132998	0	41	-1.0	-54.32	343.26	4.80	-49.53
C#CCC1(C(=O)NCCOCCOCC(=O)[O-])CC=CCC1	REAL000000132999	0	44	-1.0	-58.90	364.10	6.18	-52.72
CC(C)C1=CC=C(Cl)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133000	0	44	-1.0	-53.84	374.68	6.97	-46.88
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CS2)CC1	REAL000000133001	0	39	-1.0	-55.44	352.89	5.60	-49.84
C=C(F)C1(CC(=O)NCCOCCOCC(=O)[O-])CCC1	REAL000000133002	0	42	-1.0	-56.36	348.48	5.26	-51.10
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CC1CN2N=C(C(=O)NCCOCCOCC(=O)[O-])C=C2C(=O)N1	REAL000000133004	0	43	-1.0	-64.68	370.13	0.65	-64.03
O=C([O-])COCCOCCNC(=O)C1=CC=C2OCCNCC2=C1	REAL000000133007	1	45	-1.0	-57.48	372.28	2.15	-55.32
O=C([O-])COCCOCCNC(=O)C(CCC1=CC=CC=C1)C1=CC=CC=C1	REAL000000133009	0	54	-1.0	-58.70	449.44	10.19	-48.51
O=C([O-])COCCOCCNC(=O)C1(C2CCOCC2)CC1	REAL000000133010	0	46	-1.0	-55.83	365.38	4.28	-51.55
CC1(C(=O)NCCOCCOCC(=O)[O-])CC2CCC(C1)S2	REAL000000133012	0	46	-1.0	-60.90	360.46	5.87	-55.02
CC1(C(=O)NCCOCCOCC(=O)[O-])CC2CCC(C1)S2(=O)=O	REAL000000133013	0	48	-1.0	-58.71	365.34	2.43	-56.28
O=C([O-])COCCOCCNC(=O)[C@@H]1CCO[C@H]1C(F)(F)F	REAL000000133014	0	39	-1.0	-53.77	342.94	2.82	-50.95
COC1=C(F)C=CC(Br)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133015	0	39	-1.0	-57.84	368.08	4.59	-53.25
NC(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=N1	REAL000000133016	0	38	-1.0	-62.85	337.86	-0.38	-63.23
O=C([O-])COCCOCCNC(=O)C1=CC=C2C(=C1)C=CS2(=O)=O	REAL000000133017	0	40	-1.0	-61.26	361.67	2.18	-59.09
O=C([O-])COCCOCCNC(=O)C1=NC(Br)=C2CCCCN12	REAL000000133018	0	42	-1.0	-56.18	371.32	5.13	-51.06
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC([N+](=O)[O-])=C1Cl	REAL000000133019	0	41	-1.0	-54.63	375.09	4.95	-49.68
O=C([O-])COCCOCCNC(=O)C1=CC=C2N=C(C3CCCO3)OC2=C1	REAL000000133020	0	48	-1.0	-60.20	406.19	2.47	-57.74
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CS2)=NO1	REAL000000133021	0	41	-1.0	-57.29	378.80	5.44	-51.86
O=C([O-])COCCOCCNC(=O)C(O)CC1=CC(Cl)=CC(Cl)=C1	REAL000000133022	0	42	-1.0	-54.59	394.93	4.97	-49.62
O=C([O-])COCCOCCNC(=O)C(O)C1=CC=CC2=C1OCC2	REAL000000133023	0	44	-1.0	-55.83	369.81	3.40	-52.42
O=C([O-])COCCOCCNC(=O)CC(O)C1CCCC1	REAL000000133024	0	45	-1.0	-57.78	361.81	3.52	-54.26
NC(=O)C1=CC=NC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133025	0	38	-1.0	-65.82	337.87	-0.38	-66.20
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O=C([O-])COCCOCCNC(=O)C1=NN2C=CC=C(Br)C2=C1	REAL000000133029	0	38	-1.0	-60.77	358.03	4.79	-55.98
O=C([O-])COCCOCCNC(=O)C1=NC=C(Cl)C=C1Cl	REAL000000133030	0	34	-1.0	-53.95	332.25	3.84	-50.10
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CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])N=C1F	REAL000000133036	0	37	-1.0	-56.28	329.72	3.41	-52.87
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL000000133037	0	42	-1.0	-58.03	386.10	5.91	-52.12
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O=C([O-])COCCOCCNC(=O)COC1=CC=C(F)C=N1	REAL000000133039	0	38	-1.0	-57.24	343.19	2.61	-54.63
CN1C=C(C2=NOC(C(=O)NCCOCCOCC(=O)[O-])C2)C=N1	REAL000000133040	0	43	-1.0	-65.40	378.19	3.78	-61.62
O=C([O-])COCCOCCNC(=O)CCCCC(F)(F)F	REAL000000133041	0	40	-1.0	-55.38	352.97	4.96	-50.42
O=C([O-])COCCOCCNC(=O)[C@H]1C[C@@H](OC(F)F)C1	REAL000000133042	0	39	-1.0	-56.72	342.60	2.87	-53.85
COC1=C2C=CN=CC2=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000133043	0	44	-1.0	-59.85	370.63	4.38	-55.47
O=C([O-])COCCOCCNC(=O)CN1C=C(I)N=N1	REAL000000133044	0	34	-1.0	-63.15	332.70	2.27	-60.87
CN1N=CC=C1C(F)(F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000133045	0	38	-1.0	-55.65	340.57	2.84	-52.81
COC1=CC=C(C(F)(F)C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000133046	0	41	-1.0	-53.44	367.13	2.01	-51.43
O=C([O-])COCCOCCNC(=O)C(F)(F)C1=CSC=N1	REAL000000133047	0	34	-1.0	-56.95	323.87	2.98	-53.97
CC(C)(C)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000133048	0	46	-1.0	-56.80	382.20	5.42	-51.38
O=C([O-])COCCOCCNC(=O)C1=CC=CC(N2C=NC=N2)=N1	REAL000000133049	0	40	-1.0	-57.29	358.45	6.45	-50.85
COC1=CC=CC=C1C1=NC=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000133050	0	45	-1.0	-59.97	399.77	5.18	-54.79
O=C([O-])COCCOCCNC(=O)[C@]12CCCC[C@H]1[C@@H]2Br	REAL000000133051	0	42	-1.0	-55.05	357.96	5.91	-49.14
O=C([O-])COCCOCCNC(=O)C1=C2N(CCNS2(=O)=O)N=C1	REAL000000133052	0	41	-1.0	-70.71	363.39	-2.02	-72.73
CC(C)(C)N1N=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133053	0	44	-1.0	-54.59	356.45	4.19	-50.40
CC1=NC2=C(CCCC2CC(=O)NCCOCCOCC(=O)[O-])O1	REAL000000133054	0	47	-1.0	-61.19	384.39	4.07	-57.13
CCCCCC1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133055	0	53	-1.0	-56.61	437.74	9.00	-47.60
CCCCC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000133056	0	43	-1.0	-55.84	378.56	4.75	-51.10
CCC1=NC(C(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000133057	0	37	-1.0	-56.46	336.40	3.02	-53.44
COC1=CC(F)=CC(N2C=CC(C(=O)NCCOCCOCC(=O)[O-])=N2)=C1	REAL000000133058	0	46	-1.0	-58.80	403.05	5.09	-53.71
O=C([O-])COCCOCCNC(=O)C(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL000000133059	0	57	-1.0	-58.44	468.73	10.85	-47.59
CC(=O)N1CSC[C@@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133060	0	40	-1.0	-67.02	346.87	3.92	-63.10
CC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1C(F)(F)F	REAL000000133061	0	41	-1.0	-60.86	351.53	6.10	-54.76
O=C([O-])COCCOCCNC(=O)[C@]12CCO[C@@H]1CCCCC2	REAL000000133062	0	49	-1.0	-54.58	355.35	4.84	-49.74
CN(C)C1=C2C=C(C(=O)NCCOCCOCC(=O)[O-])SC2=CC=C1	REAL000000133063	0	46	-1.0	-57.79	399.15	5.44	-52.35
O=C([O-])COCCOCCNC(=O)C1C2CC1(C1=CC=NC=C1)CC2	REAL000000133064	0	48	-1.0	-55.54	386.55	6.29	-49.26
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F	REAL000000133065	0	42	-1.0	-57.76	370.19	6.67	-51.09
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=N1	REAL000000133066	0	38	-1.0	-57.66	345.50	1.71	-55.95
CCC1=NC2=C(C(=O)NCCOCCOCC(=O)[O-])C=CN=C2N1	REAL000000133067	0	43	-1.0	-66.02	369.54	4.07	-61.95
O=C([O-])COCCOCCNC(=O)C1=C2N=C(CC3CC3)NC2=NC=C1	REAL000000133068	0	47	-1.0	-66.13	400.85	5.66	-60.46
O=C([O-])COCCOCCNC(=O)C(O)C1CCCCCCC1	REAL000000133069	0	51	-1.0	-55.47	382.28	4.27	-51.21
NS(=O)(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(Cl)O1	REAL000000133070	0	37	-1.0	-61.86	360.70	-1.89	-63.75
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C2CCCCC2=N1	REAL000000133071	0	47	-1.0	-55.80	379.75	5.85	-49.95
CC1CN2N=C(C(=O)NCCOCCOCC(=O)[O-])C=C2CN1	REAL000000133072	0	44	-1.0	-58.03	369.35	0.99	-57.04
COC1=CC=C(C2=CC=CC=C2C)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133073	0	52	-1.0	-57.22	424.04	7.76	-49.46
O=C([O-])COCCOCCNC(=O)C1CCN(CC2=CC=CC=C2)C1=O	REAL000000133074	0	49	-1.0	-63.37	414.24	6.16	-57.21
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC(F)=CC=C2F)C=C1	REAL000000133075	0	42	-1.0	-58.53	376.86	5.76	-52.77
O=C([O-])COCCOCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1	REAL000000133076	0	39	-1.0	-63.12	348.86	-2.77	-65.90
NC1=CC2=C(C(=O)NCCOCCOCC(=O)[O-])C=NN2C=C1	REAL000000133080	0	40	-1.0	-64.46	348.33	2.15	-62.31
CCN1C=C([C@@H]2OCC[C@H]2C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000133081	0	49	-1.0	-57.64	408.39	4.09	-53.55
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000133082	0	53	-1.0	-57.20	442.09	3.14	-54.06
CN1C=C([C@@H]2OCC[C@H]2C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000133083	0	46	-1.0	-57.81	386.87	3.23	-54.59
CC1=C([C@@H]2OCC[C@H]2C(=O)NCCOCCOCC(=O)[O-])C=NN1C	REAL000000133084	0	49	-1.0	-57.31	403.61	3.65	-53.67
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133085	0	55	-1.0	-57.67	437.21	5.02	-52.65
CN1N=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C1=CC=C(F)C=C1	REAL000000133086	0	45	-1.0	-59.10	390.73	5.62	-53.48
O=C([O-])COCCOCCNC(=O)C1CC(=O)N(CC2=CC=CC=C2F)C1	REAL000000133087	0	49	-1.0	-63.19	414.41	6.12	-57.07
O=C([O-])COCCOCCNC(=O)C1CC12C(=O)NC1=CC=CC=C12	REAL000000133088	0	44	-1.0	-64.77	375.91	5.73	-59.05
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133089	0	49	-1.0	-55.80	392.41	4.04	-51.76
CC(C)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C(C)C)O1	REAL000000133090	0	50	-1.0	-55.70	413.04	6.98	-48.72
COC1=CC=C(N2C=C(C(=O)NCCOCCOCC(=O)[O-])N=N2)C=C1	REAL000000133091	0	45	-1.0	-57.97	392.51	3.54	-54.43
O=C([O-])COCCOCCNC(=O)CN1N=NN=C1C1=CC=CC=C1	REAL000000133092	0	43	-1.0	-65.93	373.99	4.09	-61.84
O=C([O-])COCCOCCNC(=O)CC1CC2=CC(C(F)(F)F)=CC=C2O1	REAL000000133093	0	46	-1.0	-58.07	404.06	6.36	-51.71
COC(=O)C1=CC2=C(C=C(C(=O)NCCOCCOCC(=O)[O-])O2)N1	REAL000000133094	0	42	-1.0	-56.25	378.04	3.20	-53.04
COC(=O)C1=CC2=C(C=C(C(=O)NCCOCCOCC(=O)[O-])O2)[N-]1	REAL000000133094	1	41	-2.0	-98.14	374.62	2.79	-95.36
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2=CC=CC=N2)N=C1	REAL000000133095	0	42	-1.0	-60.79	370.96	3.97	-56.82
COC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C(C)=C1	REAL000000133096	0	45	-1.0	-58.27	376.61	5.01	-53.26
CN1N=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C(F)F	REAL000000133097	0	38	-1.0	-57.32	343.47	3.06	-54.26
O=C([O-])COCCOCCNC(=O)C1CC1C1=CC=CC([N+](=O)[O-])=C1	REAL000000133098	0	44	-1.0	-59.82	378.52	7.17	-52.65
O=C([O-])COCCOCCNC(=O)C1=CC=C(F)C(C(F)F)=C1	REAL000000133099	0	38	-1.0	-57.69	344.89	5.50	-52.18
CS(=O)(=O)C1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000133100	0	47	-1.0	-62.84	412.44	3.56	-59.28
CC(C)CC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000133101	0	43	-1.0	-55.83	375.22	4.65	-51.18
O=C([O-])COCCOCCNC(=O)C1=CN=C2CCCC(=O)C2=C1	REAL000000133102	0	43	-1.0	-61.41	365.98	4.32	-57.09
O=C([O-])COCCOCCNC(=O)C1=CC=C(C(F)F)C(F)=C1	REAL000000133103	0	38	-1.0	-61.22	345.10	5.51	-55.71
O=C([O-])COCCOCCNC(=O)C1=CSC(C2CCCCC2)=C1	REAL000000133104	0	48	-1.0	-56.16	401.86	7.56	-48.60
CC(C)(C)CC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000133105	0	46	-1.0	-55.87	390.50	5.00	-50.87
CCCC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133106	0	44	-1.0	-55.44	361.52	6.74	-48.70
COC(=O)C1=CC=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133107	0	44	-1.0	-57.45	376.53	5.89	-51.57
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133108	0	52	-1.0	-55.45	425.93	4.51	-50.94
O=C([O-])COCCOCCNC(=O)C1=CN=C2C=C(F)C(F)=CC2=C1O	REAL000000133109	0	41	-1.0	-55.34	367.61	3.62	-51.72
O=C([O-])COCCOCCNC(=O)CC1=NOC(C2CC2)=C1	REAL000000133110	0	41	-1.0	-60.73	358.16	5.01	-55.72
O=C([O-])COCCOCCNC(=O)C1=CC(F)=CC(Br)=C1F	REAL000000133111	0	35	-1.0	-56.02	337.27	5.30	-50.72
O=C([O-])COCCOCCNC(=O)C=CC1=CC=CC=C1Cl	REAL000000133112	0	39	-1.0	-58.24	354.52	6.16	-52.08
O=C([O-])COCCOCCNC(=O)C=CC1=CC=CC(F)=C1	REAL000000133113	0	39	-1.0	-56.91	346.68	5.80	-51.11
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(Br)O1	REAL000000133114	0	36	-1.0	-55.05	344.58	4.65	-50.41
O=C([O-])COCCOCCNC(=O)C(F)(F)C1=CC=CC(Br)=C1	REAL000000133115	0	38	-1.0	-53.97	361.27	5.95	-48.02
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C2N(C)C1=O	REAL000000133116	0	47	-1.0	-57.46	394.00	5.78	-51.69
CSC1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000133117	0	45	-1.0	-55.50	391.97	7.04	-48.46
CC1=NC=C([N+](=O)[O-])N1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000133118	0	40	-1.0	-58.19	357.83	5.54	-52.65
CP(C)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000133119	0	44	-1.0	-62.25	385.72	4.13	-58.12
CS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000133120	0	40	-1.0	-62.03	362.47	0.17	-61.86
COC1=CC(C#N)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133121	0	40	-1.0	-59.48	353.82	5.52	-53.96
O=C([O-])COCCOCCNC(=O)CC1CCNC2=CC=CC=C21	REAL000000133123	0	47	-1.0	-55.25	379.86	4.96	-50.28
CC1=C2C=C(C(=O)NCCOCCOCC(=O)[O-])NC2=C(Br)C=C1	REAL000000133124	0	42	-1.0	-55.36	381.60	5.72	-49.65
CN1N=C(CN)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133129	1	40	-1.0	-56.61	343.91	-0.16	-56.77
COC1=CC(=O)NC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133130	0	39	-1.0	-58.67	337.68	1.32	-57.35
O=C([O-])COCCOCCNC(=O)C1=NN2CCCCC(=O)C2=C1	REAL000000133131	0	44	-1.0	-60.12	374.22	3.77	-56.35
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=C(F)C(F)=C2)C=C1	REAL000000133132	0	42	-1.0	-61.20	379.81	5.85	-55.35
CC1=CC=CC(C(=O)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133133	0	40	-1.0	-53.42	347.67	5.05	-48.37
CCCCS(=O)(=O)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000133134	0	43	-1.0	-70.43	376.33	1.72	-68.71
NCC1=NC(CC(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000133136	1	39	-1.0	-60.50	351.74	0.08	-60.42
O=C([O-])COCCOCCNC(=O)COC1CCCCCC1	REAL000000133137	0	48	-1.0	-57.48	379.02	5.72	-51.76
CC(=O)NC(C)(C(=O)NCCOCCOCC(=O)[O-])C(C)C	REAL000000133138	0	47	-1.0	-55.07	371.03	3.22	-51.85
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1C1CCC1	REAL000000133139	0	45	-1.0	-56.05	367.33	7.07	-48.98
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=C1CCCCC2	REAL000000133140	0	48	-1.0	-56.07	378.07	7.38	-48.69
O=C([O-])COCCOCCNC(=O)CC1=NN(CC(F)(F)F)C=C1	REAL000000133141	0	41	-1.0	-63.21	371.79	4.33	-58.88
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=C(Br)C2=CC=N1	REAL000000133142	0	40	-1.0	-54.76	362.49	5.57	-49.19
O=C([O-])COCCOCCNC(=O)C1=CC=NC=C1N1CCOCC1	REAL000000133143	0	47	-1.0	-57.05	386.46	2.81	-54.24
CCOC1=CC=C2C=CC=CC2=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133144	0	48	-1.0	-62.84	405.61	6.84	-56.00
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C(F)C1=CC=CC=C1	REAL000000133145	0	47	-1.0	-58.51	384.25	6.88	-51.63
CC1(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)CC1	REAL000000133146	0	45	-1.0	-56.07	372.17	7.03	-49.04
CC(C)CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000133147	0	44	-1.0	-55.55	379.44	6.39	-49.16
O=C([O-])COCCOCCNC(=O)CCC1=CC=C2OCCCC2=C1	REAL000000133148	0	49	-1.0	-57.09	405.46	6.64	-50.45
CC1=NN(C2=CC=CC=C2)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133149	0	45	-1.0	-59.37	384.17	6.68	-52.69
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133150	0	45	-1.0	-56.12	391.95	5.90	-50.21
CC(C)(CC(=O)NCCOCCOCC(=O)[O-])NC(=O)OCC1=CC=CC=C1	REAL000000133151	0	55	-1.0	-59.36	448.25	5.06	-54.30
NCC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000133152	0	36	-1.0	-55.90	330.78	-0.61	-56.51
CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=C(CN)S1	REAL000000133153	0	39	-1.0	-56.92	349.14	0.05	-56.87
O=C([O-])COCCOCCNC(=O)C1=C2CNCCN2N=C1	REAL000000133154	0	41	-1.0	-58.48	345.14	0.16	-58.33
O=C([O-])COCCOCCNC(=O)CC1=C(Br)SC=C1	REAL000000133155	0	35	-1.0	-54.84	340.28	4.83	-50.01
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC2CC2)C=C1	REAL000000133156	0	43	-1.0	-56.74	366.19	5.54	-51.20
O=C([O-])COCCOCCNC(=O)C1=C2C=NC=NC2=CC=N1	REAL000000133157	0	38	-1.0	-55.51	333.90	2.94	-52.57
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2CC(=O)C2)C=C1	REAL000000133158	0	44	-1.0	-59.95	374.19	6.24	-53.71
O=C([O-])COCCOCCNC(=O)CCC1=C2C=CC=CC2=NN1	REAL000000133160	0	44	-1.0	-58.10	378.64	4.60	-53.50
O=C([O-])COCCOCCNC(=O)CCC1=NNC2=CC=CC=C21	REAL000000133160	1	44	-1.0	-58.72	378.84	4.63	-54.09
COC1=C(Cl)C=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133161	0	39	-1.0	-58.05	350.91	5.70	-52.35
CC1=CC=CC(NC(=O)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133162	0	42	-1.0	-54.23	364.59	3.47	-50.76
CCCOC1=CC=C2NC=C(CC(=O)NCCOCCOCC(=O)[O-])C2=C1	REAL000000133163	0	52	-1.0	-65.61	435.16	6.32	-59.30
CC1=NC(C(=O)NCCOCCOCC(=O)[O-])=C2CCCCN12	REAL000000133164	0	45	-1.0	-61.04	371.54	5.27	-55.77
CC1=CC=C(C(F)(F)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000133165	0	41	-1.0	-53.78	361.37	6.00	-47.78
O=C([O-])COCCOCCNC(=O)C1=C(C(F)(F)F)C=NN1	REAL000000133166	0	35	-1.0	-56.52	323.80	2.08	-54.44
O=C([O-])COCCOCCNC(=O)C1CCCC(NC2=CN=CC=N2)C1	REAL000000133168	0	51	-1.0	-57.98	409.32	4.16	-53.83
O=C([O-])COCCOCCNC(=O)C1=CC=C(NC2=NC=CC=N2)C=C1	REAL000000133169	0	45	-1.0	-60.95	387.47	7.09	-53.85
CS(=O)(=O)NC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1	REAL000000133170	0	43	-1.0	-65.87	395.32	1.69	-64.18
COC(=O)C1=C2CCCCN2C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133171	0	49	-1.0	-59.79	405.10	6.34	-53.45
O=C([O-])COCCOCCNC(=O)C1CCC2=NNC(=O)N2C1	REAL000000133172	0	42	-1.0	-61.61	355.39	2.37	-59.24
CC1=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=C(C(F)(F)F)O1	REAL000000133173	0	41	-1.0	-59.58	372.97	5.06	-54.52
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=C1C(=O)CC2	REAL000000133174	0	41	-1.0	-67.44	347.66	7.05	-60.39
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=CC=C2OC1C(F)(F)F	REAL000000133175	0	44	-1.0	-58.19	386.22	6.04	-52.15
CC1CCC2=NC(C(=O)NCCOCCOCC(=O)[O-])=CN2C1	REAL000000133176	0	45	-1.0	-59.28	373.86	5.31	-53.97
CCN1C(=O)NC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133177	0	39	-1.0	-61.22	337.40	2.17	-59.05
CC1=CC(C(=O)C(=O)NCCOCCOCC(=O)[O-])=CC=C1F	REAL000000133178	0	40	-1.0	-51.50	352.95	5.08	-46.42
COC1=CN(CC(=O)NCCOCCOCC(=O)[O-])C(C)=CC1=O	REAL000000133181	0	45	-1.0	-71.06	382.15	4.67	-66.39
O=C([O-])COCCOCCNC(=O)C(CC1=CC=CC=C1)C1CC1	REAL000000133182	0	48	-1.0	-55.36	402.00	7.94	-47.43
O=C([O-])COCCOCCNC(=O)CN1N=CC=C1C1=CC=CC=C1	REAL000000133183	0	45	-1.0	-62.98	383.10	5.67	-57.32
O=C([O-])COCCOCCNC(=O)C1=CSC(C2=CC=CN=C2)=N1	REAL000000133184	0	40	-1.0	-58.90	368.01	3.58	-55.32
O=C([O-])COCCOCCNC(=O)C1=C(C2=CC=CC=C2F)OC=N1	REAL000000133185	0	41	-1.0	-59.93	367.18	2.98	-56.95
CC1=CC=C(OCCC(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1	REAL000000133186	0	45	-1.0	-55.63	397.66	6.10	-49.53
CS(=O)(=O)C1(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000133187	0	38	-1.0	-65.48	333.85	0.40	-65.08
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL000000133188	0	39	-1.0	-56.55	356.16	4.43	-52.12
O=C([O-])COCCOCCNC(=O)C=CC1=CC(F)=C(F)C(F)=C1	REAL000000133189	0	39	-1.0	-56.03	359.25	5.93	-50.10
COC1=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=CC=C1OCC#N	REAL000000133190	0	48	-1.0	-64.65	420.10	5.68	-58.97
N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133196	1	40	-1.0	-60.52	346.36	-2.84	-63.36
CN(C)C1=NC=C(Br)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000133197	0	41	-1.0	-55.49	371.47	5.66	-49.84
CC1=CN=C2C(=C1)C=NN2CC(=O)NCCOCCOCC(=O)[O-]	REAL000000133198	0	43	-1.0	-64.73	375.36	4.65	-60.09
O=C([O-])COCCOCCNC(=O)C1=CC=C(CN2C=C([N+](=O)[O-])C=N2)C=C1	REAL000000133199	0	47	-1.0	-66.44	419.68	6.91	-59.53
O=C([O-])COCCOCCNC(=O)C1=CN(CC2CCCCO2)N=C1	REAL000000133201	0	49	-1.0	-59.41	405.86	4.43	-54.98
O=C([O-])COCCOCCNC(=O)C1=CSC2=C1CCCCCC2	REAL000000133202	0	48	-1.0	-55.99	381.64	7.01	-48.98
O=C([O-])COCCOCCNC(=O)C1=CC=C(CN2C=NC([N+](=O)[O-])=N2)C=C1	REAL000000133203	0	46	-1.0	-73.56	415.02	9.93	-63.64
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CN2C=N1	REAL000000133204	0	38	-1.0	-64.07	333.99	5.82	-58.24
CC1=CC=CN2N=C(C(=O)NCCOCCOCC(=O)[O-])C=C12	REAL000000133205	0	41	-1.0	-60.98	357.71	4.83	-56.15
O=C([O-])COCCOCCNC(=O)C1=CC=C2CCNC(=O)C2=C1	REAL000000133206	0	43	-1.0	-68.43	365.30	3.01	-65.42
CC1(C)CCC2=C(C1)SC=C2C(=O)NCCOCCOCC(=O)[O-]	REAL000000133207	0	48	-1.0	-56.17	392.36	7.06	-49.12
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C2C=NC=CC2=C1	REAL000000133208	0	43	-1.0	-59.82	362.85	5.64	-54.18
O=C([O-])COCCOCCNC(=O)C1=NN2C=C(Br)C=CC2=C1	REAL000000133209	0	38	-1.0	-57.08	358.31	4.79	-52.29
CC(C)C1CCC2=C(C=C(C(=O)NCCOCCOCC(=O)[O-])S2)C1	REAL000000133210	0	51	-1.0	-55.64	417.45	7.92	-47.72
CC1=C2C=C(C(=O)NCCOCCOCC(=O)[O-])NC2=CC(Br)=C1	REAL000000133211	0	42	-1.0	-54.83	381.55	5.73	-49.10
CN1N=CC2=NC=C(C(=O)NCCOCCOCC(=O)[O-])C=C21	REAL000000133212	0	40	-1.0	-57.16	349.88	2.59	-54.57
CCOCCOCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000133213	0	45	-1.0	-55.94	381.35	2.53	-53.41
O=C([O-])COCCOCCNC(=O)C1=CC=C2CCC(=O)NC2=C1	REAL000000133214	0	43	-1.0	-61.60	365.56	3.73	-57.88
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133215	0	45	-1.0	-58.62	391.21	6.37	-52.25
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CS2)CC2(CCC2)C1	REAL000000133219	0	49	-1.0	-54.59	413.01	7.77	-46.82
CC1=CC=CN2C(CC(=O)NCCOCCOCC(=O)[O-])=CN=C12	REAL000000133220	0	44	-1.0	-65.40	378.31	6.20	-59.20
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1CCCO1	REAL000000133221	0	43	-1.0	-54.99	356.83	4.15	-50.85
CS(=O)(=O)C1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000133222	0	44	-1.0	-66.46	391.04	2.75	-63.71
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CC=C2)=CO1	REAL000000133223	0	45	-1.0	-59.06	394.11	6.94	-52.12
CC1(C(=O)NCCOCCOCC(=O)[O-])CCNC(=O)C1	REAL000000133224	0	42	-1.0	-63.79	344.38	1.18	-62.61
O=C([O-])COCCOCCNC(=O)C1=C(Cl)C=CC=C1OCC1CC1	REAL000000133225	0	46	-1.0	-61.39	407.96	6.71	-54.68
CC(=O)N[C@@H](C(=O)NCCOCCOCC(=O)[O-])C(C)(C)C	REAL000000133226	0	47	-1.0	-55.57	374.82	3.14	-52.43
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C2CCCCC2)=NO1	REAL000000133227	0	50	-1.0	-56.03	412.76	6.60	-49.43
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C2CCCC2)=NO1	REAL000000133228	0	47	-1.0	-55.89	394.71	6.00	-49.89
CC1=CSC(CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133229	0	38	-1.0	-56.02	342.22	5.02	-51.01
CC(C)COC1=CC=C(Cl)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133230	0	48	-1.0	-58.24	413.23	8.02	-50.22
O=C([O-])COCCOCCNC(=O)CC1=CC=C2OC(=O)NC2=C1	REAL000000133231	0	41	-1.0	-61.16	362.15	2.72	-58.44
CC(C)(C)CN1C(=O)NC2=C(C(=O)NCCOCCOCC(=O)[O-])C=CC=C21	REAL000000133232	0	54	-1.0	-63.88	433.79	6.00	-57.88
CN1N=CC(Br)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133233	0	35	-1.0	-53.24	332.61	2.79	-50.45
COC(=O)C1(C)CC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000133234	0	44	-1.0	-58.11	371.49	4.70	-53.41
C=CCCCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000133235	0	48	-1.0	-56.44	404.43	8.10	-48.35
O=C([O-])COCCOCCNC(=O)C1=CC=CC(C(=O)N2CCCCC2)=C1	REAL000000133236	0	52	-1.0	-67.25	421.26	6.49	-60.76
CCCCCCCSC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000133237	0	57	-1.0	-55.57	474.73	10.35	-45.22
NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000133238	0	39	-1.0	-68.46	348.56	-1.98	-70.44
N#CC1=C(N)N(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)N=C1	REAL000000133239	0	45	-1.0	-59.77	397.55	5.14	-54.64
O=C([O-])COCCOCCNC(=O)C1CCC2(CC2(F)F)CC1	REAL000000133240	0	45	-1.0	-55.64	374.87	6.26	-49.39
O=C([O-])COCCOCCNC(=O)CN1CCCC2(CC2)S1(=O)=O	REAL000000133241	0	47	-1.0	-63.55	396.96	2.32	-61.24
O=C([O-])COCCOCCNC(=O)C1CC2(CC2(F)F)C1	REAL000000133242	0	39	-1.0	-55.29	342.60	5.08	-50.21
CN1N=CC(Cl)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000133243	0	38	-1.0	-57.25	348.00	3.27	-53.98
O=C([O-])COCCOCCNC(=O)C1CCC(N2CCOCC2)CC1	REAL000000133245	1	54	-1.0	-55.62	411.93	2.83	-52.79
CN(C)C(C(=O)NCCOCCOCC(=O)[O-])C1=CN=CN1C	REAL000000133246	0	46	-1.0	-52.04	365.07	2.90	-49.14
CC1=NNC(C(=O)NCCOCCOCC(=O)[O-])=C1C(F)(F)F	REAL000000133247	0	38	-1.0	-56.39	340.86	2.62	-53.78
CN1N=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1Cl	REAL000000133248	0	35	-1.0	-56.51	342.40	3.22	-53.29
CC1=CC(C)=C2C=C(C(=O)NCCOCCOCC(=O)[O-])SC2=N1	REAL000000133252	0	43	-1.0	-58.14	380.85	5.29	-52.86
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1C1CC1	REAL000000133255	0	42	-1.0	-56.46	349.59	6.60	-49.86
CCC1=CN=C2C=CC=CC2=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133256	0	46	-1.0	-56.50	387.96	6.26	-50.24
CC1=CC=CC=C1CCC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000133257	0	57	-1.0	-55.57	464.82	10.66	-44.91
COC1(C(F)(F)C(=O)NCCOCCOCC(=O)[O-])CCCCC1	REAL000000133258	0	48	-1.0	-52.90	379.87	5.65	-47.26
O=C([O-])COCCOCCNC(=O)C=CC1=NC=CS1	REAL000000133259	0	35	-1.0	-55.67	327.90	3.08	-52.60
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(F)C=C1F	REAL000000133260	0	39	-1.0	-57.71	352.18	5.84	-51.87
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C	REAL000000133261	0	42	-1.0	-57.19	355.18	4.62	-52.57
COC1=C(C(=O)NCCOCCOCC(=O)[O-])C=CS1	REAL000000133262	0	36	-1.0	-60.57	326.91	3.94	-56.63
CN(C)S(=O)(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000133263	0	51	-1.0	-59.06	421.77	1.60	-57.46
O=C([O-])COCCOCCNC(=O)CCC1=CN=CC(Br)=C1	REAL000000133264	0	40	-1.0	-55.00	367.92	4.84	-50.16
O=C([O-])COCCOCCNC(=O)C1C(F)(F)C12CCC2	REAL000000133265	0	39	-1.0	-57.45	339.08	5.11	-52.35
O=C([O-])COCCOCCNC(=O)C1=CC(F)=CC(OC(F)F)=C1	REAL000000133266	0	39	-1.0	-56.30	351.37	4.19	-52.11
CCCCCCCCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000133267	0	59	-1.0	-56.04	477.61	10.68	-45.37
O=C([O-])COCCOCCNC(=O)C1C2CC1(C1=CC=CN=C1)CC2	REAL000000133268	0	48	-1.0	-61.66	385.77	6.06	-55.60
COCC1(CC(=O)NCCOCCOCC(=O)[O-])CCCC1	REAL000000133269	0	48	-1.0	-54.59	379.89	4.52	-50.08
CC(C)(C)C1=CN=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133270	0	46	-1.0	-57.15	389.89	5.52	-51.63
O=C([O-])COCCOCCNC(=O)C1=CC(C2=C(F)C=CC=C2F)=NO1	REAL000000133271	0	41	-1.0	-58.56	372.18	5.66	-52.90
N#CC1=C(N)N(CC(=O)NCCOCCOCC(=O)[O-])N=C1	REAL000000133274	0	38	-1.0	-63.14	346.42	1.90	-61.24
CN1N=C(C2CCOCC2)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133275	0	49	-1.0	-56.06	400.59	3.65	-52.41
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133276	0	45	-1.0	-63.62	390.04	6.56	-57.06
O=C([O-])COCCOCCNC(=O)C1=NN2C=CNC(=O)C2=C1	REAL000000133277	0	38	-1.0	-65.74	341.66	1.20	-64.54
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=NN1C1=CC=CC=C1F	REAL000000133278	0	45	-1.0	-62.63	394.03	6.31	-56.32
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C(S(N)(=O)=O)S1	REAL000000133279	0	40	-1.0	-61.01	371.45	-0.72	-61.73
CC(=O)NC1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000133281	0	48	-1.0	-64.98	391.17	3.15	-61.83
CC1=C(C(=O)NCCOCCOCC(=O)[O-])OC2=CC=CC=C2C1=O	REAL000000133282	0	43	-1.0	-56.35	370.83	5.50	-50.84
CN(C)C(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000133283	0	44	-1.0	-57.91	374.77	3.64	-54.27
CNC(=O)NC1=CC=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133284	0	44	-1.0	-62.85	389.49	2.59	-60.26
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1OC(F)F	REAL000000133285	0	42	-1.0	-62.04	365.02	4.87	-57.17
CN1C=C(Br)C(CC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000133286	0	38	-1.0	-60.37	354.09	3.47	-56.90
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])SC2=CC=CC=C21	REAL000000133287	0	44	-1.0	-56.29	380.51	7.31	-48.98
C[C@H](CC1CCCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000133288	0	50	-1.0	-54.68	388.39	6.77	-47.91
CN1N=CC2=CC(CC(=O)NCCOCCOCC(=O)[O-])=CC=C21	REAL000000133289	0	44	-1.0	-60.18	379.71	5.20	-54.98
O=C([O-])COCCOCCNC(=O)CN1C=CC2=CC(Br)=CC=C21	REAL000000133290	0	42	-1.0	-60.34	384.88	7.29	-53.04
O=C([O-])COCCOCCNC(=O)C1=NN2C=CC=C(Br)C2=N1	REAL000000133291	0	37	-1.0	-66.26	353.16	4.65	-61.62
CC1=CC(COCC(=O)NCCOCCOCC(=O)[O-])=NO1	REAL000000133292	0	41	-1.0	-60.22	361.02	3.80	-56.43
CC1=C2N=CC(C(=O)NCCOCCOCC(=O)[O-])=CC2=CC=C1	REAL000000133293	0	43	-1.0	-57.56	367.13	5.75	-51.80
CCCN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C)=N1	REAL000000133294	0	44	-1.0	-59.26	371.90	4.52	-54.74
CCCN1N=CC(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000133295	0	44	-1.0	-57.37	370.45	4.43	-52.94
COC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C(C)=C1	REAL000000133296	0	46	-1.0	-57.23	387.20	5.61	-51.63
CC(C)C1CCC(C(=O)NCCOCCOCC(=O)[O-])C(=O)N1	REAL000000133297	0	48	-1.0	-54.89	378.91	3.20	-51.69
CC1=C2NC(C(=O)NCCOCCOCC(=O)[O-])=CC2=CC(Br)=C1	REAL000000133298	0	42	-1.0	-55.29	381.97	5.74	-49.55
O=C([O-])COCCOCCNC(=O)C1=CC=C(Cl)C=C1O	REAL000000133299	0	36	-1.0	-55.83	331.29	3.61	-52.22
O=C([O-])COCCOCCNC(=O)C1=CC=C(Cl)C=C1[O-]	REAL000000133299	1	35	-2.0	-112.63	327.72	4.61	-108.02
O=C([O-])COCCOCCNC(=O)CN1CCC(CO)CC1	REAL000000133301	0	47	-1.0	-56.79	377.86	-0.01	-56.79
CN1C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2N=C1CO	REAL000000133302	0	45	-1.0	-67.31	384.82	2.25	-65.06
CC1=C(C(=O)NCCOCCOCC(=O)[O-])NN=C1C(F)(F)F	REAL000000133303	0	38	-1.0	-53.93	345.11	2.63	-51.30
CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=C(Cl)S1	REAL000000133304	0	34	-1.0	-54.25	327.09	2.86	-51.39
O=C([O-])COCCOCCNC(=O)C1=CC=NC=C1N1C=CC=N1	REAL000000133307	0	41	-1.0	-60.79	357.48	4.58	-56.21
COC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(C)=C1	REAL000000133308	0	44	-1.0	-56.57	376.51	5.89	-50.68
COC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1	REAL000000133309	0	41	-1.0	-58.68	372.97	5.72	-52.96
CC1=CC=CC=C1C(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000133312	0	51	-1.0	-59.62	418.81	9.00	-50.63
O=C([O-])COCCOCCNC(=O)C1NOC2CCCC21	REAL000000133313	0	42	-1.0	-56.07	338.97	1.63	-54.44
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1CCCO1	REAL000000133316	0	45	-1.0	-60.12	358.02	4.45	-55.66
CC1=CC(Cl)=CC(C)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133317	0	41	-1.0	-53.94	365.19	5.98	-47.96
CC(=O)N[C@H]1CC[C@@H](C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000133318	0	48	-1.0	-57.90	387.00	3.56	-54.34
O=C([O-])COCCOCCNC(=O)C1CC2(C1)CC1(CCC1)C2	REAL000000133319	0	49	-1.0	-55.23	394.79	7.27	-47.96
O=C([O-])COCCOCCNC(=O)C1=CC(C(F)(F)F)=NN1	REAL000000133320	0	35	-1.0	-54.43	328.74	1.98	-52.45
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CC(C)N1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C2CCOCC2)=N1	REAL000000133324	0	55	-1.0	-59.24	443.06	5.08	-54.16
CN1CCOC(C(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000133325	0	40	-1.0	-63.72	338.55	1.90	-61.82
O=C([O-])COCCOCCNC(=O)C1=CC(C2CC2)=NC2=CC=NN21	REAL000000133329	0	44	-1.0	-57.30	378.30	6.10	-51.19
O=C([O-])COCCOCCNC(=O)C1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL000000133330	0	42	-1.0	-58.66	379.60	5.97	-52.70
O=C([O-])COCCOCCNC(=O)C1=C2SC=CC2=NC=C1	REAL000000133331	0	37	-1.0	-58.87	335.52	4.05	-54.82
CN1CC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C2NC1=O	REAL000000133332	0	45	-1.0	-59.65	380.05	3.74	-55.91
CC1=C(Br)C(C(=O)NCCOCCOCC(=O)[O-])=C(C)S1	REAL000000133333	0	38	-1.0	-55.04	362.27	5.44	-49.60
NC(CC1=CC=C2C=CNC2=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000133334	1	47	-1.0	-57.50	395.46	3.06	-54.44
C=CCC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133339	0	42	-1.0	-55.95	353.48	6.51	-49.44
CC1(C)C2CCC1(C(=O)NCCOCCOCC(=O)[O-])CC2	REAL000000133340	0	48	-1.0	-55.10	366.00	5.80	-49.31
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC([N+](=O)[O-])=C1N	REAL000000133341	0	43	-1.0	-55.34	374.48	2.72	-52.62
CC(F)(F)C1(C(=O)NCCOCCOCC(=O)[O-])CCOCC1	REAL000000133342	0	45	-1.0	-52.60	359.42	3.57	-49.02
O=C([O-])COCCOCCNC(=O)C1(C2CCCO2)CCC1	REAL000000133343	0	46	-1.0	-59.25	365.17	5.50	-53.75
O=C([O-])COCCOCCNC(=O)[C@]12CC(=O)N[C@H]1CCCC2	REAL000000133344	0	46	-1.0	-63.52	368.82	2.24	-61.28
O=C([O-])COCCOCCNC(=O)C1(C2CCCCO2)CCCO1	REAL000000133345	0	50	-1.0	-58.90	392.06	4.90	-54.01
CC1=CC=CC(C(C(=O)NCCOCCOCC(=O)[O-])C2CCCCC2)=C1	REAL000000133346	0	57	-1.0	-55.44	444.72	10.03	-45.41
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL000000133347	0	45	-1.0	-62.75	390.87	5.94	-56.81
CS(=O)(=O)C1=C(C(=O)NCCOCCOCC(=O)[O-])C=CS1	REAL000000133348	0	38	-1.0	-59.35	352.54	2.07	-57.28
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CSC=C2)=NO1	REAL000000133349	0	41	-1.0	-56.60	376.43	5.21	-51.39
O=C([O-])COCCOCCNC(=O)CC1=C2N=CC=CC2=C(Cl)C=C1	REAL000000133350	0	43	-1.0	-60.66	384.83	6.16	-54.50
O=C([O-])COCCOCCNC(=O)C1NCCC2=C1C=CO2	REAL000000133353	0	41	-1.0	-56.88	346.46	1.48	-55.41
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2CCC2)N=C1	REAL000000133354	0	44	-1.0	-55.73	366.55	5.30	-50.43
CC1=CN2C=C(C(=O)NCCOCCOCC(=O)[O-])SC2=N1	REAL000000133355	0	38	-1.0	-56.44	347.68	5.00	-51.44
CCC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(Cl)=C1	REAL000000133356	0	44	-1.0	-54.20	382.51	6.98	-47.22
C[C@@H]1C[C@H](C(F)(F)F)N2N=CC(C(=O)NCCOCCOCC(=O)[O-])=C2N1	REAL000000133357	0	47	-1.0	-59.55	404.44	3.97	-55.59
O=C([O-])COCCOCCNC(=O)C(O)C1=CC=CC(Cl)=C1	REAL000000133358	0	39	-1.0	-54.66	355.20	3.79	-50.88
CC1=CC=C2SC(C(=O)NCCOCCOCC(=O)[O-])CC2=C1	REAL000000133359	0	43	-1.0	-58.52	374.68	6.73	-51.79
O=C([O-])COCCOCCNC(=O)CC1=CC=C(C2CCC2)C=C1	REAL000000133360	0	48	-1.0	-56.68	396.11	7.82	-48.86
O=C([O-])COCCOCCNC(=O)C1=CSC=C1Br	REAL000000133361	0	32	-1.0	-57.22	314.72	4.09	-53.13
CO[C@@H]1COC[C@H]1N1C=C(C(=O)NCCOCCOCC(=O)[O-])N=N1	REAL000000133362	0	46	-1.0	-56.83	394.85	-0.02	-56.85
O=C([O-])COCCOCCNC(=O)C1=CC=NC(C2=CC=CC=C2)=N1	REAL000000133364	0	43	-1.0	-56.72	377.49	5.88	-50.84
O=C([O-])COCCOCCNC(=O)C1=C(C(F)(F)F)OC2=CC=CC=C21	REAL000000133365	0	41	-1.0	-55.62	376.42	5.95	-49.67
CC1=CC(C2CC2)=NC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133366	0	44	-1.0	-55.46	366.76	5.51	-49.94
O=C([O-])COCCOCCNC(=O)C1=CC=C2CNC(=O)NC2=C1	REAL000000133367	0	42	-1.0	-62.60	360.04	1.63	-60.97
NC(CC1=CC=CC=C1Cl)C(=O)NCCOCCOCC(=O)[O-]	REAL000000133370	1	43	-1.0	-57.52	370.20	3.73	-53.80
O=C([O-])COCCOCCNC(=O)C1C2CC1(C1=CC=CC=N1)CC2	REAL000000133372	0	48	-1.0	-58.05	391.64	6.55	-51.50
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1	REAL000000133373	0	41	-1.0	-56.19	353.31	4.80	-51.39
CC1=NSC(C(=O)NCCOCCOCC(=O)[O-])=C1N	REAL000000133374	0	36	-1.0	-55.12	323.64	0.92	-54.20
O=C([O-])COCCOCCNC(=O)C1=NN2C=C(Br)C=CC2=N1	REAL000000133377	0	37	-1.0	-60.53	353.11	4.71	-55.81
COC1=CC=C(C(N)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000133378	1	44	-1.0	-57.68	372.18	1.57	-56.12
O=C([O-])COCCOCCNC(=O)C1=CSC(COC2=CC=CC=C2)=N1	REAL000000133379	0	45	-1.0	-57.68	404.79	4.86	-52.82
CN1N=NC(CN)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133380	1	39	-1.0	-55.32	343.41	-1.64	-56.97
O=C([O-])COCCOCCNC(=O)C(F)(F)C1=CN=CS1	REAL000000133381	0	34	-1.0	-55.35	326.40	2.63	-52.73
CC1=C(C)C2=C(C=C(C(=O)NCCOCCOCC(=O)[O-])N2)O1	REAL000000133382	0	42	-1.0	-58.57	361.32	3.98	-54.58
CC1=C(Cl)C=C2NC(C(=O)NCCOCCOCC(=O)[O-])=CC2=C1	REAL000000133383	0	42	-1.0	-54.98	374.81	5.57	-49.41
COC1=CC=C2C=C(C(=O)NCCOCCOCC(=O)[O-])N(C)C2=C1	REAL000000133384	0	46	-1.0	-58.49	386.76	5.39	-53.11
CCNC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1Cl	REAL000000133385	0	42	-1.0	-55.66	373.40	4.13	-51.54
CC1CN2CCN1CC2C(=O)NCCOCCOCC(=O)[O-]	REAL000000133386	1	46	-1.0	-56.04	355.78	-0.42	-56.47
O=C([O-])COCCOCCNC(=O)CON1C(=O)C2=CC=CC=C2C1=O	REAL000000133387	0	43	-1.0	-67.90	389.72	5.35	-62.55
COCC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)N1	REAL000000133390	0	41	-1.0	-63.35	357.48	0.81	-62.53
COCC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)[N-]1	REAL000000133390	1	40	-2.0	-101.56	354.24	-0.28	-101.84
NC(=O)CC1=C(C(=O)NCCOCCOCC(=O)[O-])NC2=CC=CC=C21	REAL000000133391	0	46	-1.0	-61.11	394.86	1.96	-59.15
CC1=CC=C(C(C)CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000133392	0	47	-1.0	-55.31	386.61	7.12	-48.19
CN1N=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C(F)(F)F	REAL000000133393	0	38	-1.0	-55.38	347.10	3.10	-52.27
O=C([O-])COCCOCCNC(=O)C1=CN(C2CC2(F)F)N=C1	REAL000000133394	0	39	-1.0	-59.18	350.74	3.89	-55.29
O=C([O-])COCCOCCNC(=O)C1=CC=NC(C(F)(F)F)=C1[N+](=O)[O-]	REAL000000133395	0	39	-1.0	-66.83	363.92	5.41	-61.42
CC1=CC=C(C)C(C(C(=O)NCCOCCOCC(=O)[O-])C(C)C)=C1	REAL000000133397	0	53	-1.0	-57.40	420.02	8.52	-48.88
CN1N=NC2=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C21	REAL000000133398	0	40	-1.0	-57.06	344.73	2.77	-54.28
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2CCOC2)S1	REAL000000133399	0	42	-1.0	-56.24	370.01	2.53	-53.70
CN1C=CC([C@@H]2C[C@H]2C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000133400	0	42	-1.0	-60.63	363.12	4.34	-56.29
O=C([O-])COCCOCCNC(=O)COCCC1=CC=C(Cl)S1	REAL000000133401	0	42	-1.0	-58.13	393.60	6.11	-52.03
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2CC2)NC1=O	REAL000000133402	0	41	-1.0	-60.99	355.37	3.21	-57.78
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL000000133402	1	40	-2.0	-102.41	352.40	2.05	-100.36
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=NC(C2=CC=C(Cl)C=C2)=N1	REAL000000133403	0	46	-1.0	-55.09	415.90	7.00	-48.09
O=C([O-])COCCOCCNC(=O)CN1N=C(C(F)(F)F)C2=C1CCC2	REAL000000133405	0	45	-1.0	-64.94	398.97	5.45	-59.49
O=C([O-])COCCOCCNC(=O)C1=COC2=C1C(=O)NCC2	REAL000000133406	0	40	-1.0	-73.35	345.69	2.58	-70.77
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=C(F)C=C2)=CS1	REAL000000133407	0	42	-1.0	-56.93	380.14	7.11	-49.82
CN1C=CC(C2=CC(C(=O)NCCOCCOCC(=O)[O-])=NO2)=N1	REAL000000133408	0	41	-1.0	-59.78	369.33	3.34	-56.44
CCC(F)(F)C(C)(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000133409	0	43	-1.0	-61.06	351.72	4.82	-56.24
O=C([O-])COCCOCCNC(=O)COCCC1=CC=CS1	REAL000000133410	0	42	-1.0	-58.49	376.55	5.48	-53.01
CC1=CC(Br)=CC(C)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000133411	0	44	-1.0	-56.08	385.74	6.87	-49.21
O=C([O-])COCCOCCNC(=O)C1=CN2C=CC=C(Br)C2=N1	REAL000000133412	0	38	-1.0	-61.64	357.52	5.58	-56.06
COC(C(=O)NCCOCCOCC(=O)[O-])C1CCCOC1	REAL000000133413	0	46	-1.0	-60.42	374.22	3.25	-57.17
O=C([O-])COCCOCCNC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2	REAL000000133414	0	49	-1.0	-56.27	395.98	8.01	-48.27
CCN1N=CC(Br)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133415	0	38	-1.0	-56.39	354.41	3.66	-52.73
CCN1C=C(Br)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000133416	0	38	-1.0	-59.43	351.91	3.82	-55.61
CC(=O)N[C@H]1CC[C@H](C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000133417	0	48	-1.0	-60.34	391.44	3.15	-57.19
CCC(C)(C)CCCC(=O)NCCOCCOCC(=O)[O-]	REAL000000133418	0	49	-1.0	-54.84	382.79	6.03	-48.81
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000133419	0	45	-1.0	-55.58	379.67	7.24	-48.34
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2CCCC(=O)N2)C=C1	REAL000000133420	0	49	-1.0	-60.28	406.75	4.94	-55.34
O=C([O-])COCCOCCNC(=O)CC1=CN(CC2=CC=CC=C2)N=C1	REAL000000133421	0	48	-1.0	-62.00	414.60	6.87	-55.13
CC1=NN=C2C=CC(C(=O)NCCOCCOCC(=O)[O-])=CC2=C1C	REAL000000133422	0	45	-1.0	-58.75	377.21	4.89	-53.86
O=C([O-])COCCOCCNC(=O)C1CCCNS1(=O)=O	REAL000000133423	0	40	-1.0	-67.61	347.01	-1.38	-68.98
CC1OC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2C1C	REAL000000133424	0	46	-1.0	-56.96	379.13	5.67	-51.29
CN1C=C(C(F)(F)C(=O)NCCOCCOCC(=O)[O-])C=CC1=O	REAL000000133425	0	41	-1.0	-58.85	364.46	4.08	-54.77
O=C([O-])COCCOCCNC(=O)C1=COC([C@@H]2CCCN2)=N1	REAL000000133426	1	43	-1.0	-56.34	368.14	-1.17	-57.51
NC1=CC=C2SC(C(=O)NCCOCCOCC(=O)[O-])=CC2=C1	REAL000000133428	0	40	-1.0	-57.28	360.01	3.81	-53.46
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(CN)=N1	REAL000000133429	0	39	-1.0	-55.45	347.79	0.00	-55.44
COC1=CC=C2C(CC(=O)NCCOCCOCC(=O)[O-])=CNC2=C1	REAL000000133430	0	46	-1.0	-61.57	391.69	4.58	-56.99
CCCC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)O1	REAL000000133431	0	44	-1.0	-55.28	372.29	5.72	-49.55
CC(C)C1=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CC=C2)=NO1	REAL000000133435	0	50	-1.0	-56.22	427.39	7.61	-48.61
CC1=CC=CC=C1C(C(=O)NCCOCCOCC(=O)[O-])C1CCCC1	REAL000000133436	0	54	-1.0	-57.62	422.56	9.32	-48.30
O=C([O-])COCCOCCNC(=O)C1=C(C2CCC2)OC=N1	REAL000000133437	0	41	-1.0	-56.78	350.45	2.07	-54.71
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=C2N=CC=CC2=C1F	REAL000000133438	0	40	-1.0	-59.17	366.56	5.59	-53.58
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(C(F)F)O1	REAL000000133439	0	39	-1.0	-55.91	357.95	5.02	-50.89
O=C([O-])COCCOCCNC(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL000000133440	0	41	-1.0	-58.37	368.88	2.29	-56.07
O=C([O-])COCCOCCNC(=O)CCC1=CC=C(Cl)N=C1	REAL000000133441	0	40	-1.0	-57.05	363.46	4.66	-52.39
CC(C)(C)C1=CN=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133442	0	46	-1.0	-55.61	377.23	5.07	-50.53
CC1=C(OC(F)(F)F)C=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133443	0	42	-1.0	-54.70	366.28	5.11	-49.59
O=C([O-])COCCOCCNC(=O)C1CCC2C(N1)C2(F)F	REAL000000133444	0	41	-1.0	-53.73	344.97	2.04	-51.69
CC1=CC(Br)=CN=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133446	0	37	-1.0	-53.09	340.32	4.11	-48.98
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL000000133447	0	44	-1.0	-54.60	385.00	6.77	-47.83
O=C([O-])COCCOCCNC(=O)C1CCCC12CCOCC2	REAL000000133448	0	49	-1.0	-54.95	376.52	4.51	-50.44
COC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C(F)(F)F	REAL000000133449	0	41	-1.0	-55.69	370.47	2.37	-53.32
O=C([O-])COCCOCCNC(=O)C1=CN=C2C=CC=NC2=C1	REAL000000133456	0	39	-1.0	-60.07	342.05	3.03	-57.04
COCCC1=NC(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)=NO1	REAL000000133457	0	50	-1.0	-58.34	433.09	3.70	-54.64
O=C([O-])COCCOCCNC(=O)C1=C2CNCCN2C(Br)=N1	REAL000000133458	1	41	-1.0	-57.89	367.09	1.46	-56.43
O=C([O-])COCCOCCNC(=O)C1=C2CNCCN2C=N1	REAL000000133459	1	41	-1.0	-60.90	345.65	1.68	-59.22
CC(C)C1=C(C(=O)NCCOCCOCC(=O)[O-])N(C)N=C1	REAL000000133463	0	44	-1.0	-56.45	373.93	4.17	-52.29
O=C([O-])COCCOCCNC(=O)C1=CN(CC2CC(=O)C2)N=N1	REAL000000133464	0	43	-1.0	-64.31	379.03	2.88	-61.44
O=C([O-])COCCOCCNC(=O)C1=NN2C(=C1)N=CC=C2C(F)F	REAL000000133465	0	40	-1.0	-69.44	366.22	4.13	-65.31
O=C([O-])COCCOCCNC(=O)C1=CSC2=NC=CN12	REAL000000133466	0	35	-1.0	-56.42	319.60	4.21	-52.20
CC1(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)CC1(F)F	REAL000000133467	0	45	-1.0	-57.48	383.54	7.15	-50.32
O=C([O-])COCCOCCNC(=O)CC1=CC=C2N=CC=CC2=C1	REAL000000133468	0	43	-1.0	-60.03	371.48	5.57	-54.46
NC(=O)C1=CN=C(C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000133469	0	37	-1.0	-54.93	334.77	-2.21	-57.14
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2CCC2)NC1=O	REAL000000133470	0	44	-1.0	-60.60	371.40	3.71	-56.89
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL000000133470	1	43	-2.0	-102.46	368.15	2.62	-99.84
CN1N=C(C2CCC2)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133471	0	45	-1.0	-55.66	373.39	4.84	-50.82
O=C([O-])COCCOCCNC(=O)C1=CC2=C(C=C(Cl)S2)S1	REAL000000133472	0	35	-1.0	-53.57	352.03	5.64	-47.93
O=C([O-])COCCOCCNC(=O)C1=CC2=C(CCCC2)N=C1Cl	REAL000000133473	0	44	-1.0	-58.52	376.43	5.68	-52.84
O=C([O-])COCCOCCNC(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL000000133474	0	38	-1.0	-53.28	357.54	5.95	-47.33
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CC1CCCN2C(CC(=O)NCCOCCOCC(=O)[O-])=CN=C12	REAL000000133478	0	48	-1.0	-63.89	394.23	5.80	-58.09
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(F)C=C1	REAL000000133479	0	41	-1.0	-56.65	352.69	5.84	-50.81
COC(=O)C1CC2(CC(C(=O)NCCOCCOCC(=O)[O-])C2)C1	REAL000000133480	0	48	-1.0	-57.43	400.71	6.06	-51.37
CC(C)C1=C(C(=O)NCCOCCOCC(=O)[O-])N=C(Cl)S1	REAL000000133481	0	40	-1.0	-54.38	367.88	4.22	-50.16
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O=C([O-])COCCOCCNC(=O)C1CCCC2=NC=NN21	REAL000000133484	0	41	-1.0	-56.12	344.18	4.95	-51.16
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CC1=CC=CN=C1CC(N)C(=O)NCCOCCOCC(=O)[O-]	REAL000000133486	1	45	-1.0	-57.89	375.86	1.76	-56.14
CC(C)(OCC(F)(F)F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000133496	0	41	-1.0	-60.72	356.22	4.20	-56.52
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CCOC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])N=C1	REAL000000133499	0	44	-1.0	-59.85	375.23	3.80	-56.05
CC1=CN=C2C=CC=CC2=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133500	0	43	-1.0	-56.71	368.90	5.19	-51.52
CC1=CC=C2C=CC=NC2=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133501	0	43	-1.0	-62.31	369.80	5.38	-56.92
CC1(C)C2CCC1(C(=O)NCCOCCOCC(=O)[O-])CC2	REAL000000133502	0	48	-1.0	-55.10	366.00	5.80	-49.31
CS(=O)(=O)C1CCCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133503	0	44	-1.0	-66.67	364.84	3.32	-63.34
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CC1=CC=CC=C1C(C(=O)NCCOCCOCC(=O)[O-])C1CCCCC1	REAL000000133506	0	57	-1.0	-55.70	441.18	9.76	-45.95
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CCC1=NN(C)C(CC)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133510	0	47	-1.0	-56.64	396.98	4.77	-51.86
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CC(=O)NC1=CN=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133512	0	44	-1.0	-59.82	373.26	2.33	-57.49
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COC1=CC(C)=C2C=C(C(=O)NCCOCCOCC(=O)[O-])NC2=C1	REAL000000133517	0	46	-1.0	-57.27	389.64	4.43	-52.84
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CC1=CC=C2C(C(=O)NCCOCCOCC(=O)[O-])=CC=NC2=C1Cl	REAL000000133521	0	43	-1.0	-57.37	376.50	6.10	-51.27
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CC1=CC=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133524	0	38	-1.0	-57.46	339.66	5.73	-51.73
COC1=NN2C(=NN=C2CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000133525	0	46	-1.0	-62.71	401.22	2.79	-59.92
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC([N+](=O)[O-])=C1[O-]	REAL000000133526	0	40	-2.0	-98.75	359.17	5.00	-93.75
N[C@@H](CC1=CC=NC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000133527	1	42	-1.0	-55.78	359.06	1.24	-54.53
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=CC=C2)C(=O)CC1	REAL000000133528	0	46	-1.0	-56.45	395.03	5.20	-51.26
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CCC1=NNC(C(=O)NCCOCCOCC(=O)[O-])=C1Br	REAL000000133532	0	38	-1.0	-55.09	349.63	2.97	-52.13
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C=CCC1(C(=O)NCCOCCOCC(=O)[O-])CNCCO1	REAL000000133535	1	45	-1.0	-51.80	364.11	1.20	-50.60
CN1C=C(C(O)C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000133536	0	39	-1.0	-59.66	342.64	0.95	-58.70
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CC(C)(C(=O)NCCOCCOCC(=O)[O-])[C@@H]1CCC[C@H](C(F)(F)F)N1	REAL000000133539	0	52	-1.0	-57.04	413.53	4.53	-52.51
C[C@@H]1C[C@H](C(F)F)N2N=CC(C(=O)NCCOCCOCC(=O)[O-])=C2N1	REAL000000133540	0	47	-1.0	-58.70	399.17	3.76	-54.94
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C(Br)S1	REAL000000133541	0	35	-1.0	-53.32	335.61	4.98	-48.34
COC1=CC(C)=C2C=C(C(=O)NCCOCCOCC(=O)[O-])OC2=C1	REAL000000133544	0	45	-1.0	-56.03	387.31	4.89	-51.14
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CCC(CC(=O)NCCOCCOCC(=O)[O-])CC1=CC=CC=C1	REAL000000133548	0	50	-1.0	-55.02	404.59	7.84	-47.18
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C2N1C	REAL000000133552	0	45	-1.0	-58.60	382.36	6.63	-51.97
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CC1=NC=C(CCC(=O)NCCOCCOCC(=O)[O-])S1	REAL000000133555	0	40	-1.0	-55.77	358.46	3.98	-51.79
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CC1=C2N=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=CC2=CC=C1	REAL000000133557	0	43	-1.0	-60.47	379.73	6.20	-54.27
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133558	0	45	-1.0	-55.76	402.26	6.36	-49.40
CC1(C(=O)NCCOCCOCC(=O)[O-])CC2=CC=CC=C2C1	REAL000000133560	0	45	-1.0	-57.89	370.85	6.87	-51.02
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(F)C(Cl)=C1	REAL000000133561	0	41	-1.0	-54.90	368.87	6.35	-48.56
CC1=C2C=CN=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=C1	REAL000000133562	0	43	-1.0	-58.26	361.78	5.60	-52.66
O=C([O-])COCCOCCNC(=O)C1=C(Cl)N=C2C=CC=CC2=C1	REAL000000133563	0	40	-1.0	-60.65	359.65	5.36	-55.29
O=C([O-])COCCOCCNC(=O)C1=C(Cl)N=C2C=C(F)C=CC2=C1	REAL000000133564	0	40	-1.0	-60.10	366.04	5.42	-54.67
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=C(F)C=C2NC1=O	REAL000000133565	0	41	-1.0	-59.14	361.24	3.95	-55.20
O=C([O-])COCCOCCNC(=O)C1=CC=C(F)C(OC(F)(F)F)=C1	REAL000000133566	0	39	-1.0	-56.93	357.92	4.41	-52.53
CCC(C)N1N=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133567	0	44	-1.0	-55.90	366.05	4.49	-51.41
O=C([O-])COCCOCCNC(=O)C1=C2C=C(F)C=CC2=CN=C1	REAL000000133568	0	40	-1.0	-61.18	348.84	5.10	-56.08
COC1=C(Br)C=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133569	0	39	-1.0	-57.86	355.30	5.81	-52.05
C[C@H](CC(F)(F)F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000133570	0	37	-1.0	-52.94	324.00	3.91	-49.03
CC1=C(O)C=CC(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000133571	0	42	-1.0	-56.83	348.25	3.01	-53.81
CCC(=O)N1CSC[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133572	0	43	-1.0	-60.71	369.10	4.58	-56.13
O=C([O-])COCCOCCNC(=O)C1(CC(F)F)CCC1	REAL000000133573	0	41	-1.0	-60.09	343.50	4.80	-55.29
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CC(C)OC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1Cl	REAL000000133575	0	45	-1.0	-60.44	386.81	5.98	-54.45
O=C([O-])COCCOCCNC(=O)CC1=CN=CC(Br)=C1	REAL000000133576	0	37	-1.0	-57.23	346.52	4.03	-53.19
N#CC1=CNC2=C(C(=O)NCCOCCOCC(=O)[O-])C=CC=C12	REAL000000133578	0	40	-1.0	-57.59	356.01	5.21	-52.37
O=C([O-])COCCOCCNC(=O)C1CCCCN1CC1=CC=CC(F)=C1	REAL000000133585	0	53	-1.0	-55.25	429.41	6.12	-49.13
O=C([O-])COCCOCCNC(=O)C1=CC2=C(CCCC2)O1	REAL000000133586	0	42	-1.0	-56.08	353.48	5.24	-50.84
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CNN=C2)C=C1	REAL000000133587	0	42	-1.0	-60.95	362.76	4.53	-56.42
NC(CN1C=NC=N1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000133592	1	39	-1.0	-60.90	338.40	2.03	-58.87
CC1=CC(F)=CC=C1C(O)C(=O)NCCOCCOCC(=O)[O-]	REAL000000133593	0	42	-1.0	-57.33	356.12	4.04	-53.30
O=C([O-])COCCOCCNC(=O)C1CNCC2=CNN=C21	REAL000000133596	1	41	-1.0	-58.04	343.92	-0.28	-58.32
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(F)=C1Br	REAL000000133601	0	38	-1.0	-60.61	349.02	5.81	-54.81
O=C([O-])COCCOCCNC(=O)C1=C2C=COC2=CC=C1F	REAL000000133602	0	38	-1.0	-58.92	343.37	4.77	-54.14
COCC1=NOC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133607	0	38	-1.0	-54.24	339.31	1.67	-52.57
CCC1CC(C(=O)NCCOCCOCC(=O)[O-])CCC1=O	REAL000000133608	0	46	-1.0	-56.83	370.98	5.29	-51.54
O=C([O-])COCCOCCNC(=O)C1=CC=C2N=CC(=O)NC2=C1	REAL000000133609	0	40	-1.0	-58.29	352.24	1.75	-56.54
N#CC1(C(=O)NCCOCCOCC(=O)[O-])CC12CCOCC2	REAL000000133610	0	44	-1.0	-57.49	367.91	3.86	-53.63
O=C([O-])COCCOCCNC(=O)[C@@H]1CCO[C@H]1C1=CC=CN=C1	REAL000000133611	0	45	-1.0	-56.31	378.60	3.64	-52.67
COC(=O)C1=CC(OC)=CC(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000133615	0	44	-1.0	-56.29	388.43	2.76	-53.52
COC1=CC=C(C(C(=O)NCCOCCOCC(=O)[O-])C2CCCCC2)C=C1	REAL000000133616	0	58	-1.0	-56.42	452.78	8.67	-47.75
COC1=CC=C2C=CC=NC2=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133617	0	44	-1.0	-67.10	379.45	4.23	-62.87
O=C([O-])COCCOCCNC(=O)C1(C(F)(F)F)CC2(CCC2)C1	REAL000000133618	0	45	-1.0	-54.39	374.01	6.36	-48.03
O=C([O-])COCCOCCNC(=O)C(F)(F)C1=CC=CN=C1	REAL000000133619	0	37	-1.0	-53.75	334.92	3.53	-50.22
O=C([O-])COCCOCCNC(=O)C1CC2(C1)CCOC2	REAL000000133621	0	43	-1.0	-56.34	352.87	3.37	-52.97
COCC1(CC(=O)NCCOCCOCC(=O)[O-])CCOCC1	REAL000000133622	0	49	-1.0	-53.45	381.68	2.55	-50.90
O=C([O-])COCCOCCNC(=O)C1=CC=C2CCCC2=N1	REAL000000133623	0	41	-1.0	-57.49	348.48	4.69	-52.80
CC1(C)CC(=O)NCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133624	0	45	-1.0	-56.64	360.01	1.77	-54.87
CC(C)(C)C1=NOC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000133625	0	45	-1.0	-64.13	375.78	4.85	-59.28
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC2=CC=CC=N2)C=C1	REAL000000133626	0	45	-1.0	-59.22	392.31	4.91	-54.31
CC1=NC2=C(C(=O)NCCOCCOCC(=O)[O-])C=NN2C(C(F)F)=C1	REAL000000133627	0	43	-1.0	-72.56	386.05	4.88	-67.69
O=C([O-])COCCOCCNC(=O)C1=COC2=C1CCCC2	REAL000000133628	0	42	-1.0	-59.02	350.88	5.23	-53.79
O=C([O-])COCCOCCNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1	REAL000000133629	0	50	-1.0	-60.52	409.46	6.31	-54.21
CCC(C)C(=O)N1CSC[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133630	0	49	-1.0	-60.19	402.24	5.68	-54.51
CC(C)(C)C1=NOC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133631	0	43	-1.0	-53.63	367.02	4.45	-49.18
CCC1(CC)CC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000133632	0	47	-1.0	-54.54	370.50	5.81	-48.73
O=C([O-])COCCOCCNC(=O)C1=CC2=C(C=C1Cl)OCO2	REAL000000133633	0	38	-1.0	-56.22	344.26	3.75	-52.48
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=C(C(F)(F)F)C2=CN=C1	REAL000000133634	0	43	-1.0	-55.04	376.48	5.85	-49.19
O=C([O-])COCCOCCNC(=O)C1=C(Br)C=NN1	REAL000000133635	0	32	-1.0	-55.01	306.68	1.64	-53.37
CC(C)C1=C(C(=O)NCCOCCOCC(=O)[O-])N=C2CCCCN21	REAL000000133636	0	51	-1.0	-60.94	402.98	6.20	-54.74
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=CC=N1	REAL000000133637	0	41	-1.0	-58.85	353.63	4.76	-54.10
CC1=CC(C2CCC2)=NC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133638	0	47	-1.0	-55.20	382.85	5.99	-49.21
CC(=O)N1CSC[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133639	0	40	-1.0	-60.49	349.01	3.75	-56.73
O=C([O-])COCCOCCNC(=O)[C@H]1CSCN1C(=O)C1=CC=CC=C1	REAL000000133640	0	47	-1.0	-57.33	400.95	5.24	-52.09
COC1=CC=CC2=C1CC(C(=O)NCCOCCOCC(=O)[O-])CO2	REAL000000133641	0	47	-1.0	-57.61	388.70	4.45	-53.16
CC(C)[C@@H]1C[C@H](CC(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL000000133642	0	54	-1.0	-54.74	425.12	8.61	-46.13
CC1=C2C=C(C(=O)NCCOCCOCC(=O)[O-])NC2=CC=C1F	REAL000000133643	0	42	-1.0	-56.19	365.51	5.16	-51.04
CC1=C2C=C(C(=O)NCCOCCOCC(=O)[O-])NC2=CC=C1Cl	REAL000000133644	0	42	-1.0	-55.66	374.21	5.55	-50.12
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(COC2=CC=CC=C2)=N1	REAL000000133645	0	48	-1.0	-57.85	421.71	5.63	-52.22
O=C([O-])COCCOCCNC(=O)C1=NN2C(=C1)N=CC=C2C(F)(F)F	REAL000000133646	0	40	-1.0	-62.20	371.14	4.22	-57.98
CC1=CC=C(Br)C(F)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133647	0	38	-1.0	-55.10	355.83	5.57	-49.53
O=C([O-])COCCOCCNC(=O)[C@H]1CCCN1C(=O)C1=CC=CC=C1	REAL000000133648	0	49	-1.0	-73.48	401.96	6.97	-66.51
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C2N=CC=NC2=C1	REAL000000133649	0	42	-1.0	-58.13	357.65	3.66	-54.47
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)CC1	REAL000000133650	0	46	-1.0	-54.77	401.44	5.26	-49.51
CC1=CC=C(N2N=C(C(=O)NCCOCCOCC(=O)[O-])CCC2=O)C=C1	REAL000000133651	0	49	-1.0	-56.34	416.43	5.87	-50.47
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=NC(C2=CC=CC=C2)=C1	REAL000000133652	0	44	-1.0	-55.35	394.64	6.85	-48.49
CC(=O)NC(CC(C)C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000133653	0	47	-1.0	-54.53	382.23	3.25	-51.28
CCOC(=O)C1(C(=O)NCCOCCOCC(=O)[O-])CC=CC1	REAL000000133654	0	45	-1.0	-57.44	375.79	5.62	-51.82
CC1=C(C)OC(CCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000133655	0	43	-1.0	-57.57	370.32	2.18	-55.39
COCCOCCN1C=CC(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000133656	0	49	-1.0	-59.79	421.81	2.50	-57.29
COCCOCCN1N=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133657	0	49	-1.0	-59.56	416.90	2.44	-57.12
O=C([O-])COCCOCCNC(=O)C1=CC=C(CCC2=CC=CC=C2)C=C1	REAL000000133658	0	51	-1.0	-57.35	430.02	9.77	-47.58
O=C([O-])COCCOCCNC(=O)C1=C2CCCC2=NNC1=O	REAL000000133659	0	41	-1.0	-58.50	346.07	2.21	-56.29
O=C([O-])COCCOCCNC(=O)C1CCC2C(CC1)C2(F)F	REAL000000133660	0	45	-1.0	-57.56	358.77	6.04	-51.52
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=C1CNC2=O	REAL000000133661	0	40	-1.0	-58.45	346.43	1.97	-56.48
O=C([O-])COCCOCCNC(=O)C1=NN(CCC(F)(F)F)C=C1	REAL000000133662	0	41	-1.0	-59.00	372.29	4.33	-54.67
O=C([O-])COCCOCCNC(=O)C1=CC=C(C(F)C(F)(F)F)C=C1	REAL000000133663	0	41	-1.0	-58.15	369.88	6.32	-51.82
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CSC=C2)N=C1	REAL000000133664	0	41	-1.0	-56.96	368.21	5.32	-51.64
O=C([O-])COCCOCCNC(=O)C[C@@H]1CCC[C@H](C2CC2)O1	REAL000000133665	0	49	-1.0	-58.75	395.12	6.61	-52.14
O=C([O-])COCCOCCNC(=O)C(CC1CCCCC1)C1=CC=CC=C1	REAL000000133666	0	57	-1.0	-53.97	448.45	9.59	-44.39
CC(C(=O)NCCOCCOCC(=O)[O-])C(C)C1=CC=CC=C1Cl	REAL000000133667	0	47	-1.0	-57.06	395.71	7.38	-49.68
O=C([O-])COCCOCCNC(=O)C1=CC=C(CC2CCC2)C=C1	REAL000000133668	0	48	-1.0	-56.45	396.84	8.06	-48.39
O=C([O-])COCCOCCNC(=O)C1=NN(CCF)C=C1	REAL000000133669	0	38	-1.0	-58.79	339.25	3.34	-55.45
O=C([O-])COCCOCCNC(=O)C(F)(F)C1=CC=C(F)C=C1F	REAL000000133670	0	38	-1.0	-55.53	350.96	5.39	-50.14
O=C([O-])COCCOCCNC(=O)CCC1=CC=C(F)N=C1	REAL000000133672	0	40	-1.0	-57.81	353.01	4.18	-53.63
CC1=C(Br)C(C(=O)NCCOCCOCC(=O)[O-])=NN1C	REAL000000133673	0	38	-1.0	-59.90	349.22	3.42	-56.48
O=C([O-])COCCOCCNC(=O)C1=CC=C(F)C(C(F)(F)F)=C1F	REAL000000133674	0	38	-1.0	-60.05	351.52	5.61	-54.43
CC(=O)NCC1(CC(=O)NCCOCCOCC(=O)[O-])CCCCC1	REAL000000133675	0	54	-1.0	-62.52	414.04	4.33	-58.19
O=C([O-])COCCOCCNC(=O)C1=CC=NC(Br)=C1F	REAL000000133676	0	34	-1.0	-59.46	326.33	3.35	-56.11
O=C([O-])COCCOCCNC(=O)CCOC1=C(F)C=CC=C1Cl	REAL000000133677	0	42	-1.0	-58.77	386.42	5.63	-53.14
O=C([O-])COCCOCCNC(=O)C1=C(C(F)F)N=C(C2CC2)O1	REAL000000133678	0	41	-1.0	-55.70	365.73	2.61	-53.09
CC(C)CC(=O)N1CCCCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133679	0	54	-1.0	-67.22	420.79	6.84	-60.38
O=C([O-])COCCOCCNC(=O)C1(C2CCCO2)CCOCC1	REAL000000133680	0	50	-1.0	-55.58	386.69	2.96	-52.62
O=C([O-])COCCOCCNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1	REAL000000133681	0	52	-1.0	-56.83	403.14	8.38	-48.45
O=C([O-])COCCOCCNC(=O)CC1=CC(O)=CC(Br)=C1	REAL000000133682	0	39	-1.0	-58.18	362.68	2.99	-55.20
O=C([O-])COCCOCCNC(=O)CCCCC1=CC=CC(O)=C1	REAL000000133683	0	48	-1.0	-57.18	405.78	4.73	-52.45
CC1=NC=C(CC(=O)NCCOCCOCC(=O)[O-])S1	REAL000000133684	0	37	-1.0	-58.75	337.06	3.20	-55.55
O=C([O-])COCCOCCNC(=O)C1=CN=C2CCCCC2=N1	REAL000000133685	0	43	-1.0	-55.87	360.96	3.39	-52.48
O=C([O-])COCCOCCNC(=O)CN1CC(C(F)(F)F)CCC1=O	REAL000000133686	0	45	-1.0	-64.89	388.18	4.41	-60.47
CCC1=NC=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000133687	0	39	-1.0	-54.12	354.04	3.71	-50.41
CC12CC(C(=O)NCCOCCOCC(=O)[O-])(C1)C(C)(C)O2	REAL000000133688	0	46	-1.0	-55.39	368.03	3.81	-51.58
O=C([O-])COCCOCCNC(=O)C1=CC=C(NS(=O)(=O)C2CC2)C=C1	REAL000000133689	0	47	-1.0	-64.48	406.00	2.54	-61.95
O=C([O-])COCCOCCNC(=O)C1=CC=CC(NS(=O)(=O)C2CC2)=C1	REAL000000133690	0	47	-1.0	-60.91	410.01	3.04	-57.87
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133691	0	49	-1.0	-69.20	422.68	2.75	-66.45
CC(C)(C(=O)NCCOCCOCC(=O)[O-])N1C=NN=N1	REAL000000133692	0	39	-1.0	-67.33	333.96	2.78	-64.55
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CN=CN=C1	REAL000000133693	0	42	-1.0	-57.58	351.44	4.12	-53.45
O=C([O-])COCCOCCNC(=O)C1(C2CCCO2)CCCC1	REAL000000133694	0	49	-1.0	-52.96	383.07	5.01	-47.95
COCC1(C(=O)NCCOCCOCC(=O)[O-])CC=CC1	REAL000000133695	0	43	-1.0	-55.10	354.32	4.25	-50.85
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NCCOCCOCC(=O)[O-])=C2	REAL000000133696	0	51	-1.0	-62.08	406.44	5.09	-56.99
N#CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)[N-]1	REAL000000133697	0	35	-2.0	-95.58	326.18	0.97	-94.61
CC1=CC(F)=C(Br)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133698	0	38	-1.0	-52.60	348.77	5.90	-46.70
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC(Cl)=C2F)CC1	REAL000000133699	0	42	-1.0	-57.06	379.71	6.97	-50.09
O=C([O-])COCCOCCNC(=O)C1(C(F)(F)F)CC=CCO1	REAL000000133704	0	40	-1.0	-55.19	347.18	3.81	-51.38
CC1=C(C(N)C(=O)NCCOCCOCC(=O)[O-])C=NN1C	REAL000000133707	0	43	-1.0	-58.41	359.61	0.54	-57.87
CCN1N=CC(N)=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000133708	0	44	-1.0	-56.30	379.46	2.20	-54.10
O=C([O-])COCCOCCNC(=O)C1=CN=C2NC=NC2=C1	REAL000000133710	0	37	-1.0	-62.05	326.40	3.43	-58.61
COC(=O)C1=CC(F)=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133711	0	41	-1.0	-57.86	366.90	5.26	-52.60
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=NN1	REAL000000133712	0	35	-1.0	-54.67	328.17	1.89	-52.78
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(I)=NN1	REAL000000133714	0	35	-1.0	-54.25	339.16	2.37	-51.88
O=C([O-])COCCOCCNC(=O)C1=COC2=C1CSC2	REAL000000133715	0	37	-1.0	-58.39	335.41	4.15	-54.24
O=C([O-])COCCOCCNC(=O)C1CNC(=O)CC12CCOC2	REAL000000133716	0	47	-1.0	-58.72	370.48	1.20	-57.52
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000133718	0	56	-1.0	-54.57	443.37	8.83	-45.73
CN1N=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C1=CC=C(Cl)C=C1	REAL000000133719	0	45	-1.0	-58.67	401.04	6.06	-52.62
CC1=CC=C2OC=C(C(=O)NCCOCCOCC(=O)[O-])C2=C1	REAL000000133720	0	41	-1.0	-61.02	355.82	5.54	-55.48
O=C([O-])COCCOCCNC(=O)C1=CC=C2SCCCC2=C1	REAL000000133721	0	43	-1.0	-56.63	368.32	6.75	-49.89
CN1N=C(C(F)(F)F)C2=C1SC(C(=O)NCCOCCOCC(=O)[O-])=C2	REAL000000133722	0	41	-1.0	-57.21	388.40	4.59	-52.62
O=C([O-])COCCOCCNC(=O)C1=CC=C2SCCCCC2=C1	REAL000000133723	0	46	-1.0	-55.60	385.32	7.35	-48.25
COC(=O)CCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000133724	0	47	-1.0	-59.86	404.08	6.78	-53.08
O=C([O-])COCCOCCNC(=O)C1=C(F)C=CC(F)=C1Br	REAL000000133725	0	35	-1.0	-59.07	341.48	5.01	-54.06
O=C([O-])COCCOCCNC(=O)C1=CC=NC(C2=CC=CN=C2)=N1	REAL000000133726	0	42	-1.0	-57.73	372.47	4.07	-53.66
O=C([O-])COCCOCCNC(=O)CC1=CN=C2C=CC=CC2=C1	REAL000000133727	0	43	-1.0	-60.13	371.54	5.57	-54.56
COC1(C(F)(F)C(=O)NCCOCCOCC(=O)[O-])CCOCC1	REAL000000133728	0	46	-1.0	-53.09	371.34	3.23	-49.86
O=C([O-])COCCOCCNC(=O)C1=C2CNCCN2C=C1	REAL000000133729	1	42	-1.0	-59.85	350.06	2.01	-57.83
CC1=CC=C2C(C(=O)NCCOCCOCC(=O)[O-])=COC2=C1	REAL000000133730	0	41	-1.0	-60.40	355.80	5.55	-54.85
CC(C)(C)C1=NN(CC(=O)NCCOCCOCC(=O)[O-])N=N1	REAL000000133731	0	45	-1.0	-63.19	384.41	2.87	-60.31
O=C([O-])COCCOCCNC(=O)C1=CC2=C(C=CS2)N1CC1CC1	REAL000000133732	0	46	-1.0	-56.56	399.70	7.61	-48.95
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1	REAL000000133733	0	45	-1.0	-57.70	396.55	8.49	-49.20
O=C([O-])COCCOCCNC(=O)C1=NN(C2CC2(F)F)C=C1	REAL000000133734	0	39	-1.0	-62.12	354.20	4.07	-58.04
O=C([O-])COCCOCCNC(=O)C(F)C1=CC=C(F)C=C1	REAL000000133735	0	38	-1.0	-58.09	340.48	5.32	-52.77
C=CCOC(=O)NCC(=O)NCCOCCOCC(=O)[O-]	REAL000000133736	0	40	-1.0	-55.65	354.60	0.84	-54.82
O=C([O-])COCCOCCNC(=O)C1=CC2=C(C=C(Br)S2)N1	REAL000000133737	0	36	-1.0	-54.66	351.26	4.26	-50.39
COC1=NC=CC(Br)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133738	0	38	-1.0	-58.53	356.48	1.70	-56.83
O=C([O-])COCCOCCNC(=O)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL000000133739	0	49	-1.0	-56.12	403.87	8.10	-48.02
CCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1Br	REAL000000133740	0	41	-1.0	-54.52	365.76	6.46	-48.06
CCCC1=C(Br)C=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL000000133741	0	41	-1.0	-54.73	382.00	6.46	-48.27
CSC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1Br	REAL000000133742	0	39	-1.0	-57.34	365.02	6.11	-51.23
O=C([O-])COCCOCCNC(=O)C1=CC2=C(N1)C(Br)=CS2	REAL000000133743	0	36	-1.0	-54.88	351.04	4.16	-50.72
O=C([O-])COCCOCCNC(=O)C1=CC(=O)NC(C2=CC=CC=C2)=C1	REAL000000133744	0	45	-1.0	-61.83	385.17	5.03	-56.81
COCC1=C(C(=O)NCCOCCOCC(=O)[O-])OC=C1	REAL000000133745	0	39	-1.0	-56.00	342.21	2.36	-53.65
O=C([O-])COCCOCCNC(=O)C1=COC2=CC(F)=CC(F)=C12	REAL000000133746	0	38	-1.0	-60.92	344.23	5.01	-55.91
O=C([O-])COCCOCCNC(=O)C1=CN(CCCF)N=N1	REAL000000133747	0	40	-1.0	-60.61	356.46	2.62	-57.99
N#CC1=C2N=CC(C(=O)NCCOCCOCC(=O)[O-])=CN2N=C1	REAL000000133749	0	38	-1.0	-58.63	349.32	3.92	-54.71
O=C([O-])COCCOCCNC(=O)C1=NC=C(OCC2CC2)C=C1F	REAL000000133750	0	45	-1.0	-57.77	390.53	4.72	-53.05
CCN1C=C(OC2=CN=C(C(=O)NCCOCCOCC(=O)[O-])C=N2)C=N1	REAL000000133751	0	47	-1.0	-59.20	407.98	2.54	-56.67
CN1N=CC2=C1SC(C(=O)NCCOCCOCC(=O)[O-])=C2	REAL000000133752	0	38	-1.0	-57.16	347.43	3.64	-53.52
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O=C([O-])COCCOCCNC(=O)CNCCC(F)(F)F	REAL000000133900	1	39	-1.0	-54.78	348.28	1.52	-53.25
O=C([O-])COCCOCCNC(=O)C1=C2C=CSC2=CC=C1	REAL000000133901	0	38	-1.0	-57.96	338.37	5.87	-52.08
O=C([O-])COCCOCCNC(=O)C1=CC=C(CN2C=C(Cl)C=N2)C=C1	REAL000000133902	0	45	-1.0	-62.10	406.58	6.71	-55.39
O=C([O-])COCCOCCNC(=O)C1=CC(C(F)(F)F)=CS1	REAL000000133903	0	35	-1.0	-55.73	337.74	4.57	-51.16
O=C([O-])COCCOCCNC(=O)C1=CC=CC(OCC2CC2)=C1	REAL000000133904	0	46	-1.0	-59.14	388.74	6.39	-52.75
CSC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1	REAL000000133905	0	39	-1.0	-57.51	358.29	6.08	-51.42
CC1=C(Cl)C=C(C(=O)NCCOCCOCC(=O)[O-])C=C1Br	REAL000000133906	0	38	-1.0	-53.58	359.19	6.18	-47.40
O=C([O-])COCCOCCNC(=O)C1=C2SC(C(F)F)=NC2=CC=C1	REAL000000133909	0	40	-1.0	-60.79	369.57	4.97	-55.82
COC1NC(C(=O)NCCOCCOCC(=O)[O-])CCC1F	REAL000000133912	0	44	-1.0	-55.43	364.91	0.10	-55.33
CC(F)(F)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133914	0	41	-1.0	-57.61	358.92	6.07	-51.54
O=C([O-])COCCOCCNC(=O)C1=CC=C2C=CSC2=C1	REAL000000133915	0	38	-1.0	-58.00	342.61	5.90	-52.10
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=NN2C)=N1	REAL000000133916	0	45	-1.0	-65.03	391.85	3.46	-61.57
CC1=NC=C2CC(C(=O)NCCOCCOCC(=O)[O-])CCC2=N1	REAL000000133917	0	46	-1.0	-57.31	381.49	4.86	-52.46
CC1=C(CC(=O)NCCOCCOCC(=O)[O-])C(C(F)(F)F)=CO1	REAL000000133918	0	41	-1.0	-56.10	371.05	5.00	-51.10
CCC1=NC=C2CC(C(=O)NCCOCCOCC(=O)[O-])CCC2=N1	REAL000000133919	0	49	-1.0	-57.22	402.97	5.46	-51.76
CC(N)C1=NOC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133920	1	39	-1.0	-58.31	339.43	0.25	-58.07
CC1=CC(C)=CC(C(N)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133923	1	46	-1.0	-54.38	385.53	3.59	-50.78
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(C)=N1	REAL000000133924	0	41	-1.0	-55.40	354.72	1.89	-53.52
CC1=CN(CC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)N=C1	REAL000000133925	0	48	-1.0	-62.35	411.39	6.86	-55.49
O=C([O-])COCCOCCNC(=O)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL000000133926	0	49	-1.0	-55.56	381.59	7.45	-48.11
O=C([O-])COCCOCCNC(=O)[C@@H]1OCCC[C@H]1C1=CC=CC=C1	REAL000000133927	0	49	-1.0	-57.32	394.44	7.34	-49.97
CC1(C(=O)NCCOCCOCC(=O)[O-])CCCNS1(=O)=O	REAL000000133928	0	43	-1.0	-59.17	359.11	-0.68	-59.85
O=C([O-])COCCOCCNC(=O)C1=COC(C(F)F)=N1	REAL000000133929	0	34	-1.0	-57.25	319.74	0.19	-57.06
O=C([O-])COCCOCCNC(=O)CCC1=CC=C(Br)S1	REAL000000133930	0	38	-1.0	-54.83	363.65	5.85	-48.98
CN1N=CC2=C1CCNC2C(=O)NCCOCCOCC(=O)[O-]	REAL000000133931	0	44	-1.0	-61.59	367.11	1.03	-60.56
COCCC(C)(C)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000133936	0	47	-1.0	-54.27	371.43	3.71	-50.56
CC(C)(CC(=O)NCCOCCOCC(=O)[O-])C(C)(F)F	REAL000000133937	0	43	-1.0	-52.97	347.28	4.71	-48.25
COC1=CC=C(Br)C(F)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133938	0	39	-1.0	-58.46	365.51	4.39	-54.06
CC1=CC2=C(C=C(C(=O)NCCOCCOCC(=O)[O-])N2CC2CC2)S1	REAL000000133939	0	49	-1.0	-56.60	422.97	8.42	-48.17
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=CC=C2F)=NN1	REAL000000133940	0	42	-1.0	-58.73	371.68	4.72	-54.00
O=C([O-])COCCOCCNC(=O)CCC=CBr	REAL000000133941	0	35	-1.0	-54.04	326.13	4.28	-49.76
COC1=CC=C2CC(C(=O)NCCOCCOCC(=O)[O-])NC2=N1	REAL000000133943	0	44	-1.0	-59.87	375.76	1.45	-58.42
CN1C=CC(C23CC(CC2)C3C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000133944	0	49	-1.0	-59.06	400.57	5.79	-53.28
CC1=CC(F)=CC(C(C)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000133945	0	44	-1.0	-59.61	374.10	6.51	-53.10
O=C([O-])COCCOCCNC(=O)C1=CC2=C(C=CS2)N1CC(F)(F)F	REAL000000133946	0	42	-1.0	-57.74	387.73	6.43	-51.30
CC1(C)CCC2=CC(C(=O)NCCOCCOCC(=O)[O-])=C(Cl)N=C2C1	REAL000000133947	0	50	-1.0	-58.31	412.07	6.59	-51.72
O=C([O-])COCCOCCNC(=O)CC(C1=CC=CC=C1F)C(F)F	REAL000000133948	0	44	-1.0	-57.86	379.34	6.58	-51.29
O=C([O-])COCCOCCNC(=O)C1CCCC2=CC=NN21	REAL000000133949	0	42	-1.0	-55.67	349.34	4.25	-51.42
COC1=CN=C(C(F)(F)F)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133950	0	41	-1.0	-57.40	368.89	4.39	-53.01
O=C([O-])COCCOCCNC(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL000000133951	0	42	-1.0	-61.56	365.57	6.74	-54.82
O=C([O-])COCCOCCNC(=O)C1=CN=C2CCCC2=C1	REAL000000133952	0	41	-1.0	-56.98	346.27	4.64	-52.34
O=C([O-])COCCOCCNC(=O)COC1=CC=CC=C1C(F)F	REAL000000133953	0	42	-1.0	-65.19	371.85	6.10	-59.10
CCOC1=C2C=C(C(=O)NCCOCCOCC(=O)[O-])SC2=NC=C1	REAL000000133954	0	44	-1.0	-59.53	391.07	4.33	-55.21
CC1(C)CCOC1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000133955	0	45	-1.0	-57.86	360.54	4.18	-53.68
CC1=NN=C(CCC(=O)NCCOCCOCC(=O)[O-])N1C	REAL000000133956	0	43	-1.0	-59.72	367.16	4.86	-54.86
CC1=NC(C2CC2)=NC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133957	0	43	-1.0	-54.86	364.52	4.88	-49.98
CCC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])C(C)=N1	REAL000000133958	0	42	-1.0	-54.45	355.49	3.80	-50.65
CC1=NC(C2CCOCC2)=NC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133959	0	50	-1.0	-55.07	407.86	3.92	-51.14
O=C([O-])COCCOCCNC(=O)C1CC2CC1C1C2C1(F)F	REAL000000133963	0	43	-1.0	-57.00	353.43	5.82	-51.18
O=C([O-])COCCOCCNC(=O)C1C2CC1(C1=CN=CS1)CC2	REAL000000133964	0	45	-1.0	-55.91	377.86	5.31	-50.60
O=C([O-])COCCOCCNC(=O)C1CCC2(CC1)COCCO2	REAL000000133965	0	50	-1.0	-59.11	390.29	3.86	-55.25
COC1NC(C(=O)NCCOCCOCC(=O)[O-])CCC1Br	REAL000000133966	0	44	-1.0	-55.31	371.17	0.17	-55.14
N[C@H](COCC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000133968	1	47	-1.0	-56.61	400.88	2.34	-54.27
N[C@@H](COCC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000133970	1	47	-1.0	-54.65	401.39	2.29	-52.36
O=C([O-])COCCOCCNC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL000000133973	0	46	-1.0	-55.42	387.31	7.17	-48.25
O=C([O-])COCCOCCNC(=O)C1=NN2CCNS(=O)(=O)C2=C1	REAL000000133974	0	41	-1.0	-66.98	367.02	-2.33	-69.30
CC1=NN(C2=CC=CC=C2C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000133976	0	45	-1.0	-63.71	383.90	6.57	-57.14
O=C([O-])COCCOCCNC(=O)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL000000133977	0	45	-1.0	-56.14	388.11	7.19	-48.96
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C)=C(Br)O1	REAL000000133978	0	38	-1.0	-53.45	354.89	4.64	-48.82
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)NCCOCCOCC(=O)[O-]	REAL000000133979	0	49	-1.0	-61.20	395.71	5.56	-55.64
CC12CC(C(=O)NCCOCCOCC(=O)[O-])(C1)C1(CCC1)O2	REAL000000133980	0	47	-1.0	-55.75	378.06	4.60	-51.15
CC12CC(C(=O)NCCOCCOCC(=O)[O-])(C1)C1(CCOCC1)O2	REAL000000133981	0	51	-1.0	-57.19	398.83	3.31	-53.87
CC1=COC(C(C)C)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133982	0	44	-1.0	-57.20	376.00	5.33	-51.87
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C([N+](=O)[O-])S1	REAL000000133983	0	38	-1.0	-57.12	360.35	5.65	-51.47
CC1=CC(C)=C(C(N)C(=O)NCCOCCOCC(=O)[O-])C(C)=C1	REAL000000133984	1	49	-1.0	-56.12	385.97	5.30	-50.83
O=C([O-])COCCOCCNC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL000000133987	0	42	-1.0	-59.36	348.25	5.54	-53.82
O=C([O-])COCCOCCNC(=O)C1=CC2=C(CCCNC2=O)O1	REAL000000133988	0	43	-1.0	-62.59	367.46	1.87	-60.73
O=C([O-])COCCOCCNC(=O)C1=C2C=C(F)C=CC2=NN1	REAL000000133989	0	38	-1.0	-57.76	339.17	3.29	-54.47
O=C([O-])COCCOCCNC(=O)C1=NNC2=CC=C(F)C=C21	REAL000000133989	1	38	-1.0	-59.62	341.08	3.27	-56.35
CC1(C(=O)NCCOCCOCC(=O)[O-])CS(=O)(=O)C1	REAL000000133990	0	38	-1.0	-59.49	329.74	0.15	-59.33
COC1=CC=C(C23CC(CC2)C3C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000133991	0	53	-1.0	-57.47	426.95	7.33	-50.13
O=C([O-])COCCOCCNC(=O)C1(C2CCOCC2)CCOCC1	REAL000000133992	0	53	-1.0	-57.84	395.28	3.89	-53.95
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1C1CC1(F)F	REAL000000133993	0	42	-1.0	-60.43	362.35	6.76	-53.68
O=C([O-])COCCOCCNC(=O)C(O)C1=CC(F)=C(F)C=C1F	REAL000000133994	0	39	-1.0	-54.62	351.62	3.58	-51.04
O=C([O-])COCCOCCNC(=O)C(O)C1=CC(F)=C(F)C(F)=C1	REAL000000133995	0	39	-1.0	-55.91	356.93	3.50	-52.42
CCC1=NN(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1Cl	REAL000000133996	0	41	-1.0	-52.87	371.33	4.02	-48.85
O=C([O-])COCCOCCNC(=O)CSC1=CC=CC(F)=C1	REAL000000133997	0	39	-1.0	-57.98	355.29	5.76	-52.22
O=C([O-])COCCOCCNC(=O)C1CCC(=O)N1CCC(F)(F)F	REAL000000133998	0	45	-1.0	-60.13	388.46	4.71	-55.41
CC1=C(Cl)C=C(Br)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000133999	0	38	-1.0	-52.41	356.91	6.28	-46.14
O=C([O-])COCCOCCNC(=O)C1CC(=O)NC2=NC=CC=C21	REAL000000134000	0	42	-1.0	-60.47	360.91	2.63	-57.84
CC1=NC(C2CC2)=NC(C)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134002	0	46	-1.0	-54.90	391.33	5.11	-49.79
CCC1=NC(C)=C(C(=O)NCCOCCOCC(=O)[O-])C(C)=N1	REAL000000134003	0	45	-1.0	-54.59	382.29	4.04	-50.55
CC(C)C1=C(C(=O)NCCOCCOCC(=O)[O-])C(C(F)(F)F)=CO1	REAL000000134004	0	44	-1.0	-55.57	394.95	5.72	-49.85
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C(F)(F)F)=CO1	REAL000000134005	0	41	-1.0	-61.08	374.68	5.12	-55.96
CC1(C)CCC2=CC(C(=O)NCCOCCOCC(=O)[O-])=C(Cl)N=C2C1	REAL000000134006	0	50	-1.0	-58.31	412.07	6.59	-51.72
O=C([O-])COCCOCCNC(=O)C1=CC(C2CC2)=NNC1=O	REAL000000134007	0	41	-1.0	-57.58	355.33	2.61	-54.97
O=C([O-])COCCOCCNC(=O)C1(C2CCCCO2)CC1	REAL000000134008	0	46	-1.0	-54.88	369.13	4.91	-49.97
O=C([O-])COCCOCCNC(=O)C1(CC2=CC=C(F)C=C2)CCCO1	REAL000000134009	0	49	-1.0	-59.90	409.72	7.23	-52.66
CC1=CC(C)=C2NC(C(=O)NCCOCCOCC(=O)[O-])=CC2=C1	REAL000000134010	0	45	-1.0	-56.64	382.06	5.80	-50.85
CC1=NC2=C(NC(C(=O)NCCOCCOCC(=O)[O-])=C2)S1	REAL000000134011	0	38	-1.0	-58.45	346.43	2.40	-56.06
O=C([O-])COCCOCCNC(=O)C1=CC(C2CCOCC2)=NN1	REAL000000134012	0	46	-1.0	-55.99	382.13	2.39	-53.61
O=C([O-])COCCOCCNC(=O)C1=CN(C2CCCC2)N=C1	REAL000000134013	0	45	-1.0	-56.87	373.58	4.94	-51.93
O=C([O-])COCCOCCNC(=O)C1=NOC2=C1CC(F)(F)CC2	REAL000000134014	0	41	-1.0	-58.40	357.90	4.66	-53.74
CN1C=CN=C1[C@@H]1[C@@H](C(=O)NCCOCCOCC(=O)[O-])CC(=O)N1C	REAL000000134015	0	49	-1.0	-59.11	412.93	4.18	-54.93
CC1=CC([N+](=O)[O-])=C(C(=O)NCCOCCOCC(=O)[O-])C=C1F	REAL000000134016	0	40	-1.0	-63.72	359.10	6.61	-57.12
CCCC1=NC(C(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000134017	0	40	-1.0	-56.16	357.90	3.80	-52.36
CC1=NN(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1Cl	REAL000000134018	0	38	-1.0	-52.94	349.85	3.29	-49.66
O=C([O-])COCCOCCNC(=O)CS(=O)(=O)C1=CC=CC=C1F	REAL000000134019	0	41	-1.0	-68.15	373.79	2.28	-65.87
O=C([O-])COCCOCCNC(=O)C1=CN=C(F)C(F)=C1	REAL000000134020	0	34	-1.0	-53.93	313.43	2.77	-51.16
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2CCOCC2)NC1=O	REAL000000134021	0	48	-1.0	-61.81	397.91	2.46	-59.35
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2CCOCC2)[N-]C1=O	REAL000000134021	1	47	-2.0	-101.86	394.66	1.36	-100.49
CC(C)(C)C1=NC=C(C(=O)NCCOCCOCC(=O)[O-])N1	REAL000000134022	0	44	-1.0	-57.12	370.08	3.70	-53.42
O=C([O-])COCCOCCNC(=O)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL000000134023	0	38	-1.0	-63.55	352.82	4.85	-58.70
COC(=O)C1=CC2=C(SC(C(=O)NCCOCCOCC(=O)[O-])=C2)S1	REAL000000134024	0	41	-1.0	-56.31	390.89	5.75	-50.56
O=C([O-])COCCOCCNC(=O)[C@@H]1CCC2=CC=CC=C21	REAL000000134025	0	42	-1.0	-54.84	352.03	6.30	-48.54
CCN1C=CC(C(=O)NCCOCCOCC(=O)[O-])=CC1=O	REAL000000134026	0	41	-1.0	-66.08	352.71	4.29	-61.79
O=C([O-])COCCOCCNC(=O)C1=CC2=C(S1)C1=CC=CC=C1NC2=O	REAL000000134027	0	44	-1.0	-63.94	395.68	5.02	-58.92
O=C([O-])COCCOCCNC(=O)CSC1=CC=CC(Cl)=C1	REAL000000134028	0	39	-1.0	-57.39	365.61	6.21	-51.18
O=C([O-])COCCOCCNC(=O)C1=CC=C2CCOC2=C1	REAL000000134029	0	40	-1.0	-59.71	341.56	4.39	-55.33
O=C([O-])COCCOCCNC(=O)CC1C[C@@H]2COC[C@H]12	REAL000000134030	0	43	-1.0	-56.51	351.59	3.55	-52.97
COC1=CC=C(C(C)=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000134031	0	46	-1.0	-55.46	389.72	5.86	-49.60
O=C([O-])COCCOCCNC(=O)CN1N=NC(C2CC2)=N1	REAL000000134032	0	40	-1.0	-62.50	354.11	2.78	-59.72
COC1=CC=C(C(CC(=O)NCCOCCOCC(=O)[O-])C(F)F)C=C1	REAL000000134033	0	48	-1.0	-56.05	403.64	5.90	-50.15
COC1=CC2=C(OCC2)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134034	0	44	-1.0	-61.61	370.16	4.62	-56.99
CC1=CC(=O)N(CCC(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000134035	0	43	-1.0	-65.78	372.20	4.65	-61.13
O=C([O-])COCCOCCNC(=O)C1=C2OC=CC2=CC=C1Cl	REAL000000134036	0	38	-1.0	-60.61	352.93	5.19	-55.42
CC1=NC(C(=O)NCCOCCOCC(=O)[O-])=C(C2=CC=C(F)C=C2)S1	REAL000000134037	0	44	-1.0	-56.58	398.10	6.14	-50.43
CC1=CSC2=C(C(=O)NCCOCCOCC(=O)[O-])N=CN=C12	REAL000000134038	0	39	-1.0	-56.33	354.34	4.55	-51.78
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CN1C=C(C2=NOC(C(=O)NCCOCCOCC(=O)[O-])=C2)C=N1	REAL000000134168	0	41	-1.0	-57.06	369.13	3.38	-53.68
O=C([O-])COCCOCCNC(=O)C1=CN=CC2=C1CCCC2	REAL000000134169	0	44	-1.0	-55.87	357.85	5.25	-50.63
CC1=CC=CN2N=CC(C(=O)NCCOCCOCC(=O)[O-])=C12	REAL000000134170	0	41	-1.0	-60.62	346.43	4.95	-55.67
C=CCNC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000134171	0	46	-1.0	-58.73	396.44	4.22	-54.51
O=C([O-])COCCOCCNC(=O)C1=CN=CC(C2=CC=CC=C2F)=C1	REAL000000134172	0	44	-1.0	-59.14	386.47	6.41	-52.73
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=CN=NN21	REAL000000134173	0	37	-1.0	-62.82	325.06	3.24	-59.58
CC1=C2N=C(C(=O)NCCOCCOCC(=O)[O-])C=CN2N=C1	REAL000000134174	0	40	-1.0	-56.84	352.24	4.17	-52.66
O=C([O-])COCCOCCNC(=O)C1=CC(Br)=CC(F)=C1F	REAL000000134177	0	35	-1.0	-56.56	337.86	5.31	-51.25
C=CCOCC1(C(=O)NCCOCCOCC(=O)[O-])CNCCO1	REAL000000134182	1	49	-1.0	-52.76	400.42	0.66	-52.10
O=C([O-])COCCOCCNC(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL000000134185	0	38	-1.0	-61.47	340.20	5.60	-55.87
CCOC1=CC=C(C(N)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000134187	1	47	-1.0	-56.59	394.04	2.50	-54.10
O=C([O-])COCCOCCNC(=O)C1=C2SN=CC2=CC=C1	REAL000000134189	0	37	-1.0	-64.19	335.71	4.71	-59.47
NC(C(=O)NCCOCCOCC(=O)[O-])C1CCCCO1	REAL000000134191	1	44	-1.0	-52.84	358.45	0.66	-52.18
O=C([O-])COCCOCCNC(=O)C1=CC=C(C(F)F)C=N1	REAL000000134194	0	37	-1.0	-57.19	337.17	3.72	-53.47
O=C([O-])COCCOCCNC(=O)C1=C2SC=CC2=C(F)C=C1	REAL000000134195	0	38	-1.0	-57.18	346.52	5.97	-51.22
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1C1=CC=CC=C1	REAL000000134196	0	48	-1.0	-58.39	401.66	8.63	-49.76
O=C([O-])COCCOCCNC(=O)C1CNCCS(=O)(=O)C1	REAL000000134198	0	43	-1.0	-59.72	358.39	-1.81	-61.53
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134200	0	48	-1.0	-56.49	395.95	8.67	-47.82
O=C([O-])COCCOCCNC(=O)C1=COC2=C(Br)C=CC=C12	REAL000000134201	0	38	-1.0	-58.62	355.72	5.49	-53.13
COC1=CC(OC)=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134202	0	43	-1.0	-59.49	376.46	3.73	-55.76
O=C([O-])COCCOCCNC(=O)C1=NNC2=C1C[C@H]1C[C@@H]21	REAL000000134203	0	40	-1.0	-58.71	343.97	3.58	-55.14
O=C([O-])COCCOCCNC(=O)C1=C2C[C@H]3C[C@H]3C2=NN1	REAL000000134203	1	40	-1.0	-57.21	342.93	3.62	-53.59
O=C([O-])COCCOCCNC(=O)C1(C(F)F)CCCO1	REAL000000134204	0	39	-1.0	-54.05	336.60	2.71	-51.33
CN(CC1=CC=CC=C1)C(=O)C(C)(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134205	0	54	-1.0	-68.20	432.03	7.90	-60.30
CC(C)(C)N1CCCC(C)(C(=O)NCCOCCOCC(=O)[O-])S1(=O)=O	REAL000000134206	0	55	-1.0	-63.16	423.37	3.81	-59.35
O=C([O-])COCCOCCNC(=O)C1CCC1C1=CC=C(Cl)C(Cl)=C1	REAL000000134207	0	45	-1.0	-57.09	405.90	7.98	-49.11
O=C([O-])COCCOCCNC(=O)C1CCCC2=C1N=CS2	REAL000000134208	0	41	-1.0	-56.72	352.88	4.62	-52.10
O=C([O-])COCCOCCNC(=O)C1C2C=CC(C2)C1C1=CC=CC=C1	REAL000000134209	0	50	-1.0	-56.04	395.62	8.28	-47.77
CC1(C)CCC(F)(F)CC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134210	0	47	-1.0	-53.35	367.29	5.74	-47.60
CC1=C(C#N)C(C(=O)NCCOCCOCC(=O)[O-])=C(C)S1	REAL000000134211	0	39	-1.0	-66.79	361.65	5.17	-61.61
CC1=CC=CN=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL000000134212	0	41	-1.0	-57.52	355.28	4.75	-52.77
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C([N+](=O)[O-])=C1	REAL000000134213	0	40	-1.0	-61.23	353.81	6.56	-54.67
CCC1=CSC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134214	0	38	-1.0	-55.70	334.41	4.90	-50.80
O=C([O-])COCCOCCNC(=O)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL000000134215	0	47	-1.0	-58.21	405.78	7.24	-50.97
CC1=CC(C)=NC(N2CCC(C(=O)NCCOCCOCC(=O)[O-])CC2)=N1	REAL000000134216	0	54	-1.0	-59.72	437.42	6.56	-53.17
O=C([O-])COCCOCCNC(=O)C1=CN=C(C(F)(F)F)S1	REAL000000134217	0	34	-1.0	-53.20	334.20	2.86	-50.34
COC1=CC2=C(C(=O)NCCOCCOCC(=O)[O-])NN=C2C=C1	REAL000000134218	0	42	-1.0	-61.05	362.00	2.53	-58.52
O=C([O-])COCCOCCNC(=O)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL000000134219	0	45	-1.0	-59.74	394.31	7.39	-52.35
O=C([O-])COCCOCCNC(=O)CC(C1=CC=C(F)C=C1)C(F)F	REAL000000134220	0	44	-1.0	-55.06	380.56	6.66	-48.40
O=C([O-])COCCOCCNC(=O)C1CCN(CC(F)(F)F)C(=O)C1	REAL000000134221	0	45	-1.0	-57.97	385.20	4.09	-53.88
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CN2N=N1	REAL000000134222	0	37	-1.0	-62.89	329.39	2.89	-60.00
O=C([O-])COCCOCCNC(=O)C1=CSC(Br)=C1Cl	REAL000000134223	0	32	-1.0	-57.00	331.46	4.68	-52.32
O=C([O-])COCCOCCNC(=O)C12CC3CC(C1)C(=O)C(C3)C2	REAL000000134224	0	48	-1.0	-55.77	373.36	5.58	-50.20
O=C([O-])COCCOCCNC(=O)C1(C(F)(F)F)CC2CCC1C2	REAL000000134225	0	45	-1.0	-52.49	362.81	5.84	-46.65
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1CC(F)(F)F	REAL000000134226	0	41	-1.0	-57.79	356.51	6.29	-51.50
CC1CCC(CC(=O)NCCOCCOCC(=O)[O-])CC1C	REAL000000134227	0	50	-1.0	-54.74	388.22	6.60	-48.14
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=NC2=CC=N1	REAL000000134228	0	39	-1.0	-56.88	338.88	3.15	-53.72
CC(C)(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C([N+](=O)[O-])=C1	REAL000000134229	0	49	-1.0	-59.56	408.52	8.23	-51.34
O=C([O-])COCCOCCNC(=O)CN1C=NC2=C1CCNC21CCOCC1	REAL000000134230	1	55	-1.0	-63.04	434.40	3.74	-59.30
O=C([O-])COCCOCCNC(=O)C(F)(F)CCN1C=CN=N1	REAL000000134231	0	40	-1.0	-58.71	358.31	2.90	-55.81
CC1=CC(F)=CC=C1C(F)(F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134232	0	41	-1.0	-53.44	360.27	5.77	-47.67
O=C([O-])COCCOCCNC(=O)C(F)(F)CCN1C=CC=N1	REAL000000134233	0	41	-1.0	-55.90	364.51	4.13	-51.77
O=C([O-])COCCOCCNC(=O)C1=CSC2=CN=CN21	REAL000000134234	0	35	-1.0	-55.05	319.54	4.67	-50.38
O=C([O-])COCCOCCNC(=O)C1=C(CN2CCOCC2)C=CO1	REAL000000134235	0	48	-1.0	-56.51	398.07	1.99	-54.52
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL000000134237	0	35	-2.0	-106.94	343.75	5.14	-101.80
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134238	0	48	-1.0	-58.05	406.33	7.38	-50.67
O=C([O-])COCCOCCNC(=O)CCCN1C=NC=N1	REAL000000134239	0	40	-1.0	-63.79	348.99	5.43	-58.36
CC(C)(C)C(=O)CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000134240	0	45	-1.0	-54.75	372.41	4.79	-49.96
O=C([O-])COCCOCCNC(=O)C1CCN2N=CN=C2C1	REAL000000134241	0	41	-1.0	-58.17	346.04	4.56	-53.61
CC1=NN=NN1C(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000134242	0	46	-1.0	-72.38	395.42	5.02	-67.35
O=C([O-])COCCOCCNC(=O)C1CCCN1C1=CN=CC=N1	REAL000000134243	0	45	-1.0	-61.11	370.20	1.94	-59.17
CC1=CC=C(C=CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000134244	0	45	-1.0	-57.15	382.80	7.21	-49.94
COC(=O)C1(C(=O)NCCOCCOCC(=O)[O-])CC1C	REAL000000134245	0	41	-1.0	-54.09	346.65	4.48	-49.61
CCOC(=O)C1(C(=O)NCCOCCOCC(=O)[O-])CC2(CCC2)C1	REAL000000134246	0	51	-1.0	-53.47	415.21	7.03	-46.43
CC(C)OC1=CC=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000134247	0	44	-1.0	-55.62	389.66	3.76	-51.86
O=C([O-])COCCOCCNC(=O)CCC1=C(Br)SC=C1	REAL000000134248	0	38	-1.0	-56.04	360.79	5.61	-50.44
COC1=CC(F)=C(C(=O)NCCOCCOCC(=O)[O-])C=C1Br	REAL000000134249	0	39	-1.0	-57.37	360.06	4.63	-52.75
CC(C)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1F	REAL000000134250	0	44	-1.0	-61.21	369.08	6.52	-54.69
CC(C)C1=CC=C(F)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134251	0	44	-1.0	-59.17	370.45	6.56	-52.61
O=C([O-])COCCOCCNC(=O)C1=CC=C2C=CC=CC2=C1F	REAL000000134252	0	41	-1.0	-61.80	355.46	6.85	-54.95
O=C([O-])COCCOCCNC(=O)C(CC1=CC=CC=C1)C1CCCCC1	REAL000000134253	0	57	-1.0	-54.80	438.97	9.91	-44.90
O=C([O-])COCCOCCNC(=O)C1=CC=C(C(F)(F)CF)C=C1	REAL000000134254	0	41	-1.0	-57.82	365.45	6.22	-51.60
CC(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL000000134255	0	48	-1.0	-55.49	411.17	6.24	-49.25
COC(=O)C1=CSC2=C1NC(C(=O)NCCOCCOCC(=O)[O-])=C2	REAL000000134256	0	42	-1.0	-59.00	385.73	4.21	-54.79
COC(=O)C1=CC2=C(C=C(C(=O)NCCOCCOCC(=O)[O-])N2)S1	REAL000000134257	0	42	-1.0	-56.86	385.97	4.31	-52.55
O=C([O-])COCCOCCNC(=O)C(F)(F)C1=CN=CC=N1	REAL000000134258	0	36	-1.0	-56.58	328.55	2.33	-54.25
O=C([O-])COCCOCCNC(=O)C1=CN(CC(F)(F)F)C=N1	REAL000000134259	0	38	-1.0	-62.54	351.89	5.07	-57.48
O=C([O-])COCCOCCNC(=O)C1=CON=C1C1=CC=CC=C1	REAL000000134260	0	41	-1.0	-59.54	358.10	5.53	-54.00
NC(CC1=CC=CC(Br)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134261	1	43	-1.0	-54.46	387.74	3.67	-50.79
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134264	0	49	-1.0	-58.35	404.10	8.07	-50.28
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134265	0	49	-1.0	-57.98	404.18	8.07	-49.91
COCC(OC1=CC=C(Cl)C=C1C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134266	0	49	-1.0	-60.18	426.77	6.21	-53.97
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=C3OCCOC3=C2)=NN1	REAL000000134267	0	48	-1.0	-59.14	411.72	3.73	-55.41
CC1=NC(C#N)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134268	0	38	-1.0	-56.18	337.95	3.73	-52.45
O=C([O-])COCCOCCNC(=O)CC(C1=CC=CC(F)=C1)C(F)F	REAL000000134269	0	44	-1.0	-56.26	381.17	6.61	-49.66
O=C([O-])COCCOCCNC(=O)C1(O)CCCCCC1	REAL000000134270	0	45	-1.0	-54.41	347.32	2.79	-51.62
CN1C(=O)N(CC(=O)NCCOCCOCC(=O)[O-])N=C1C1CC1	REAL000000134271	0	45	-1.0	-68.86	391.25	5.01	-63.85
CCN1C(C)=NN(CC(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000134272	0	44	-1.0	-70.45	381.76	4.47	-65.98
O=C([O-])COCCOCCNC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL000000134273	0	49	-1.0	-54.47	408.26	8.56	-45.91
NS(=O)(=O)C1=CSC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134274	0	37	-1.0	-61.63	353.43	-1.55	-63.18
O=C([O-])COCCOCCNC(=O)C1=CN=C2C(=O)NC=CC2=C1	REAL000000134275	0	40	-1.0	-64.27	352.60	1.97	-62.30
CC1=CC(Cl)=C(C(=O)NCCOCCOCC(=O)[O-])C=C1Br	REAL000000134276	0	38	-1.0	-54.98	357.70	6.26	-48.73
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(F)C(F)=C1	REAL000000134277	0	44	-1.0	-56.76	373.68	6.31	-50.45
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134278	0	48	-1.0	-56.66	402.42	7.24	-49.42
COC1=CC=CC=C1N1N=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134279	0	46	-1.0	-60.98	391.78	5.10	-55.88
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CC=C2F)=NO1	REAL000000134280	0	44	-1.0	-56.58	387.88	6.26	-50.32
O=C([O-])COCCOCCNC(=O)C1=CN=CC(Cl)=N1	REAL000000134281	0	33	-1.0	-53.26	314.63	1.38	-51.87
COCC1(C(=O)NCCOCCOCC(=O)[O-])CC=CCC1	REAL000000134282	0	46	-1.0	-58.48	371.84	4.21	-54.27
O=C([O-])COCCOCCNC(=O)C1CCOCC12CCCCC2	REAL000000134283	0	52	-1.0	-55.53	384.76	5.05	-50.48
O=C([O-])COCCOCCNC(=O)C1(C(F)(F)F)CC2CCC1CC2	REAL000000134284	0	48	-1.0	-55.12	373.76	6.51	-48.61
CC(F)(F)C(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000134285	0	44	-1.0	-61.33	372.45	6.68	-54.65
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC=C2)CCOC1	REAL000000134286	0	46	-1.0	-55.87	378.62	4.92	-50.95
CC1=CC=C(C2CCCCC2C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000134287	0	54	-1.0	-55.42	417.95	8.67	-46.74
CCC1(C(=O)NCCOCCOCC(=O)[O-])CCCC2=CC=CC=C21	REAL000000134288	0	51	-1.0	-55.72	394.09	7.81	-47.91
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134289	0	60	-1.0	-57.00	475.86	8.80	-48.20
O=C([O-])COCCOCCNC(=O)C1(C2CC2)CCCO1	REAL000000134290	0	43	-1.0	-57.51	349.44	4.36	-53.14
O=C([O-])COCCOCCNC(=O)CCCN1CC2=CC=CC=C2C1=O	REAL000000134291	0	49	-1.0	-64.86	416.71	6.23	-58.64
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134292	0	47	-1.0	-66.30	411.79	7.63	-58.67
CN1C=C(CC(N)C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000134293	1	43	-1.0	-57.92	369.80	0.80	-57.12
CCC(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)N1	REAL000000134295	0	47	-1.0	-61.74	386.97	4.41	-57.33
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134296	0	57	-1.0	-58.75	452.96	8.76	-49.99
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134297	0	45	-1.0	-57.77	392.70	6.99	-50.78
CC(C)CC(N)(C(=O)NCCOCCOCC(=O)[O-])C(F)(F)F	REAL000000134300	0	45	-1.0	-55.77	370.09	2.92	-52.85
CC1=CC=C(OC(C)C(=O)NCCOCCOCC(=O)[O-])C(C)=C1	REAL000000134302	0	48	-1.0	-59.09	398.20	7.10	-52.00
O=C([O-])COCCOCCNC(=O)CN1C(=O)NC2(CCOCC2)C1=O	REAL000000134303	0	48	-1.0	-63.04	402.45	0.83	-62.21
O=C([O-])COCCOCCNC(=O)C1=C2C=CC(Cl)=CC2=CC=C1	REAL000000134304	0	41	-1.0	-57.03	363.14	7.27	-49.76
O=C([O-])COCCOCCNC(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL000000134305	0	44	-1.0	-56.76	381.51	6.26	-50.50
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O=C([O-])COCCOCCNC(=O)C1CCC1C1=CC=CC=C1Cl	REAL000000134458	0	45	-1.0	-54.49	380.54	7.45	-47.04
O=C([O-])COCCOCCNC(=O)C1=CC(Br)=C2OC=CC2=C1	REAL000000134459	0	38	-1.0	-56.72	354.26	5.50	-51.21
NC(CC1=CC=C(Cl)N=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134463	1	42	-1.0	-54.88	378.19	1.69	-53.19
O=C([O-])COCCOCCNC(=O)C1NCCC2=C1C=CC(F)=C2F	REAL000000134465	0	44	-1.0	-55.54	372.24	3.85	-51.70
O=C([O-])COCCOCCNC(=O)C1=CC2=C(C=C1F)OCC(=O)N2	REAL000000134466	0	41	-1.0	-59.97	360.98	1.86	-58.12
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O=C([O-])COCCOCCNC(=O)C1=CC=NN1CC1CC1	REAL000000134468	0	42	-1.0	-55.19	358.89	4.71	-50.48
CC1(C)COCCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134469	0	45	-1.0	-55.28	350.20	3.44	-51.85
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=NN=CN21	REAL000000134470	0	37	-1.0	-63.83	323.64	5.49	-58.34
C=CCOCC(C(=O)NCCOCCOCC(=O)[O-])C(C)(C)C	REAL000000134471	0	51	-1.0	-53.35	402.67	6.08	-47.27
CC12CCCN1S(=O)(=O)C(C(=O)NCCOCCOCC(=O)[O-])C2	REAL000000134472	0	47	-1.0	-61.52	379.10	1.28	-60.24
NC1CCC(C(=O)NCCOCCOCC(=O)[O-])CCC1(F)F	REAL000000134476	1	46	-1.0	-55.67	363.79	2.36	-53.31
CN1N=CC(C(F)F)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134478	0	38	-1.0	-58.40	343.54	2.98	-55.43
CC1=NN(C2CCC2)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134479	0	45	-1.0	-56.27	375.50	5.09	-51.18
O=C([O-])COCCOCCNC(=O)C1=CC=NN1CCC(F)(F)F	REAL000000134480	0	41	-1.0	-55.48	367.65	4.26	-51.22
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134481	0	46	-1.0	-57.60	402.22	6.50	-51.10
CC1(C)CCCOC1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000134482	0	48	-1.0	-56.39	374.05	4.98	-51.41
O=C([O-])COCCOCCNC(=O)C1CCNC2=CC=CC=C21	REAL000000134483	0	44	-1.0	-56.71	362.85	4.49	-52.22
NC1=CN=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1	REAL000000134486	0	36	-1.0	-59.14	330.49	1.22	-57.92
O=C([O-])COCCOCCNC(=O)C1CCC(F)(F)CO1	REAL000000134487	0	39	-1.0	-61.12	336.40	3.80	-57.32
O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(Cl)C=C1F	REAL000000134488	0	39	-1.0	-57.49	362.50	6.29	-51.20
CC(=O)NC(COC(C)C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134489	0	48	-1.0	-64.22	398.16	2.58	-61.65
COC1=CC=C2C=C(CC(=O)NCCOCCOCC(=O)[O-])C=CC2=C1	REAL000000134490	0	48	-1.0	-60.05	405.82	6.77	-53.28
CC(C)CC(CC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134491	0	53	-1.0	-54.63	420.80	8.96	-45.67
NC(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=C(F)C=C1F	REAL000000134492	1	43	-1.0	-55.72	374.22	3.28	-52.43
COC1=CC=C(Br)C(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL000000134496	0	42	-1.0	-58.08	377.14	4.84	-53.24
COC1=NC=C(Cl)C(C)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134497	0	41	-1.0	-56.84	370.24	2.15	-54.69
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134498	0	45	-1.0	-66.15	398.14	3.88	-62.27
CCCCOC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000134499	0	52	-1.0	-56.68	434.53	7.58	-49.11
O=C([O-])COCCOCCNC(=O)C1=CC(F)=C(Br)C(F)=C1	REAL000000134500	0	35	-1.0	-52.78	338.40	5.26	-47.51
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL000000134501	0	41	-1.0	-57.29	367.84	5.22	-52.07
O=C([O-])COCCOCCNC(=O)CC1=CC=C(O)C(Cl)=C1	REAL000000134502	0	39	-1.0	-59.48	357.40	2.92	-56.56
O=C([O-])COCCOCCNC(=O)CC1=CC=C([O-])C(Cl)=C1	REAL000000134502	1	38	-2.0	-109.11	353.84	3.68	-105.43
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL000000134504	0	42	-1.0	-59.20	367.19	6.78	-52.42
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Br	REAL000000134505	0	42	-1.0	-57.25	376.55	7.08	-50.18
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COC(=O)C1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000134509	0	44	-1.0	-59.16	390.87	4.58	-54.58
CC1=C(C)NC(=O)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134510	0	41	-1.0	-64.62	347.24	2.93	-61.69
CC(C)(C)N1C=C(CC(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000134511	0	47	-1.0	-61.06	393.12	5.03	-56.03
O=C([O-])COCCOCCNC(=O)C1=CC(C2=NNC=C2)=CC=C1F	REAL000000134512	0	42	-1.0	-63.31	369.09	4.65	-58.66
CC1=CC=C(C2(C(=O)NCCOCCOCC(=O)[O-])CC2)C(F)=C1	REAL000000134513	0	45	-1.0	-56.47	384.94	7.14	-49.33
CCCC1=C(C(=O)NCCOCCOCC(=O)[O-])N=NN1CC	REAL000000134514	0	46	-1.0	-57.57	388.16	3.76	-53.81
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C2=NNC=N2)=N1	REAL000000134515	0	43	-1.0	-61.89	388.08	3.87	-58.01
O=C([O-])COCCOCCNC(=O)CCCOC1=CC=C2CCC(=O)NC2=C1	REAL000000134516	0	53	-1.0	-63.64	441.55	4.82	-58.82
O=C([O-])COCCOCCNC(=O)C1=C2N=CNC2=CC(Br)=C1	REAL000000134517	0	38	-1.0	-64.39	352.18	4.96	-59.43
O=C([O-])COCCOCCNC(=O)C1=C2NC=NC2=CC(Br)=C1	REAL000000134517	1	38	-1.0	-56.23	350.71	4.96	-51.27
CN(CC1=CC=CO1)C(=O)NCC(=O)NCCOCCOCC(=O)[O-]	REAL000000134518	0	47	-1.0	-60.36	403.65	2.96	-57.41
CC(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=C(F)C(F)=C1	REAL000000134519	0	44	-1.0	-54.89	377.90	6.59	-48.29
O=C([O-])COCCOCCNC(=O)C1=NNC2=C1CCNC2	REAL000000134520	1	41	-1.0	-58.94	345.36	-0.31	-59.25
CC1=NNC2=C1CC(C(=O)NCCOCCOCC(=O)[O-])CC2	REAL000000134521	0	45	-1.0	-58.20	370.39	3.91	-54.30
CC1=C2CC(C(=O)NCCOCCOCC(=O)[O-])CCC2=NN1	REAL000000134521	1	45	-1.0	-57.60	369.93	3.91	-53.69
O=C([O-])COCCOCCNC(=O)CC1=CC=C2NC(=O)CCC2=C1	REAL000000134522	0	46	-1.0	-59.65	390.19	4.39	-55.26
O=C([O-])COCCOCCNC(=O)C1=CC=C2NC(C3CC3)=NC2=C1	REAL000000134523	0	45	-1.0	-63.45	383.35	5.60	-57.84
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000134524	0	44	-1.0	-56.41	386.57	6.75	-49.66
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134525	0	45	-1.0	-63.47	381.38	6.35	-57.12
CSC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL000000134526	0	41	-1.0	-56.65	369.47	6.09	-50.56
NS(=O)(=O)C1=COC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134527	0	37	-1.0	-61.22	346.46	-2.55	-63.77
N#CC1=CC2=C(C(=O)NCCOCCOCC(=O)[O-])C=NN2C=C1	REAL000000134528	0	39	-1.0	-61.55	354.18	4.67	-56.88
O=C([O-])COCCOCCNC(=O)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL000000134529	0	45	-1.0	-57.34	391.56	5.64	-51.70
O=C([O-])COCCOCCNC(=O)C(O)C1=CC=C(F)C(Cl)=C1F	REAL000000134530	0	39	-1.0	-54.61	361.03	4.00	-50.61
O=C([O-])COCCOCCNC(=O)C1=CN2N=NC=C2C=C1	REAL000000134531	0	37	-1.0	-61.30	327.54	3.04	-58.26
C[C@@H]1CC2=C(C(=O)NCCOCCOCC(=O)[O-])NN=C2[C@H](C)O1	REAL000000134532	0	46	-1.0	-56.15	382.41	2.54	-53.61
O=C([O-])COCCOCCNC(=O)CCNC1=CN=CN=C1	REAL000000134533	0	41	-1.0	-58.48	355.27	2.20	-56.28
CC(C)OC1=CC=C(Cl)N=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134534	0	44	-1.0	-59.34	387.10	5.36	-53.98
C=CCOC1=CC=C(Cl)N=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134535	0	42	-1.0	-59.58	382.07	5.31	-54.26
O=C([O-])COCCOCCNC(=O)C1CCCC(F)(F)CC1	REAL000000134536	0	44	-1.0	-55.64	354.78	5.46	-50.19
O=C([O-])COCCOCCNC(=O)CCC1=C(Br)C=CS1	REAL000000134537	0	38	-1.0	-54.20	361.44	5.67	-48.53
O=C([O-])COCCOCCNC(=O)C[C@@H](O)C1=CC=CC=C1	REAL000000134538	0	42	-1.0	-57.92	358.64	3.74	-54.18
O=C([O-])COCCOCCNC(=O)CCCCCC(=O)NC1=CC=CC=C1	REAL000000134539	0	54	-1.0	-65.56	450.03	6.65	-58.91
O=C([O-])COCCOCCNC(=O)C1CCC2=CC=NN2C1	REAL000000134540	0	42	-1.0	-58.23	351.15	3.82	-54.41
O=C([O-])COCCOCCNC(=O)C1CC(C2=CC=CC=C2F)=NO1	REAL000000134541	0	43	-1.0	-65.05	378.35	6.01	-59.04
O=C([O-])COCCOCCNC(=O)C1=C2C=NSC2=CC=C1	REAL000000134542	0	37	-1.0	-59.00	333.37	4.62	-54.38
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=NON=C21	REAL000000134543	0	36	-1.0	-65.26	322.00	3.40	-61.86
CN1C=C(OCC(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000134544	0	39	-1.0	-61.27	344.07	2.91	-58.36
CS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1	REAL000000134545	0	41	-1.0	-62.94	378.90	2.60	-60.34
COC(=O)C1CC(CCC(=O)NCCOCCOCC(=O)[O-])CN1	REAL000000134546	0	49	-1.0	-63.19	407.48	2.72	-60.47
CC1=CC=C2N=CC=CC2=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134550	0	43	-1.0	-57.96	368.55	5.17	-52.79
CN(C)C1=CC=C2C=C(C(=O)NCCOCCOCC(=O)[O-])C=CC2=C1	REAL000000134551	0	49	-1.0	-58.60	403.13	7.18	-51.42
O=C([O-])COCCOCCNC(=O)C12COC(C1)CCC2	REAL000000134552	0	43	-1.0	-54.06	341.10	3.22	-50.84
CC12CCC(C(=O)NCCOCCOCC(=O)[O-])(CO1)C2	REAL000000134553	0	43	-1.0	-54.38	352.02	3.27	-51.12
O=C([O-])COCCOCCNC(=O)C1=CC=CC(O)=C1F	REAL000000134554	0	36	-1.0	-63.12	321.11	1.78	-61.34
O=C([O-])COCCOCCNC(=O)C1=CC=CC([O-])=C1F	REAL000000134554	1	35	-2.0	-113.78	317.54	2.54	-111.24
O=C([O-])COCCOCCNC(=O)C1=CC2=NNC=C2N=C1	REAL000000134555	0	37	-1.0	-61.37	326.07	1.53	-59.85
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC(C(F)(F)F)=CC=N1	REAL000000134557	0	46	-1.0	-58.05	395.93	6.11	-51.94
O=C([O-])COCCOCCNC(=O)CN1N=NC2=CC=CC=C21	REAL000000134558	0	40	-1.0	-62.00	353.68	3.30	-58.70
COC1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000134559	0	41	-1.0	-60.12	355.99	2.19	-57.93
O=C([O-])COCCOCCNC(=O)[C@H]1CC[C@@H](NC2=CC=CC=N2)CC1	REAL000000134560	0	52	-1.0	-61.98	414.48	6.02	-55.95
O=C([O-])COCCOCCNC(=O)C1=NC(C2CC2)=NC=C1Cl	REAL000000134562	0	40	-1.0	-54.39	363.08	4.79	-49.61
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134563	0	56	-1.0	-57.06	439.60	6.67	-50.39
CN1N=CC2=C(C(=O)NCCOCCOCC(=O)[O-])C=C(C3CC3)N=C21	REAL000000134565	0	47	-1.0	-58.11	397.39	5.66	-52.44
O=C([O-])COCCOCCNC(=O)C12CCC(C(F)(F)F)(CC1)C2	REAL000000134566	0	45	-1.0	-55.85	378.70	5.91	-49.94
CC(C)[C@@H]1CCC[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134568	0	47	-1.0	-54.92	367.69	5.81	-49.11
COC1=CC2=C(CC(C(=O)NCCOCCOCC(=O)[O-])N2)C(OC)=C1	REAL000000134571	0	49	-1.0	-60.65	407.75	2.38	-58.27
COC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C(OC)=C1OC	REAL000000134574	0	51	-1.0	-61.08	434.20	5.05	-56.02
O=C([O-])COCCOCCNC(=O)C1=C2C(=O)NCCN2N=C1	REAL000000134575	0	40	-1.0	-68.64	344.75	1.30	-67.33
CC=CC1=CC=C(OCC(=O)NCCOCCOCC(=O)[O-])C(OC)=C1	REAL000000134576	0	50	-1.0	-63.16	421.28	6.87	-56.29
NC1=CC=C(C2(C(=O)NCCOCCOCC(=O)[O-])CC2)C=C1	REAL000000134577	0	44	-1.0	-58.89	372.22	4.12	-54.77
O=C([O-])COCCOCCNC(=O)C1CC(=O)CC12CCC2	REAL000000134581	0	44	-1.0	-55.03	357.04	4.94	-50.08
O=C([O-])COCCOCCNC(=O)C1=CC2=C(CCOC2)N=C1Cl	REAL000000134582	0	42	-1.0	-58.81	367.37	3.27	-55.55
O=C([O-])COCCOCCNC(=O)C1CCC(OC2=CC=CC=C2)CC1	REAL000000134583	0	52	-1.0	-58.36	415.77	7.32	-51.04
O=C([O-])COCCOCCNC(=O)C1CC2=CC=CN=C2C1	REAL000000134587	0	41	-1.0	-56.22	347.48	4.48	-51.74
O=C([O-])COCCOCCNC(=O)C1CC(C2CC2)=NO1	REAL000000134588	0	40	-1.0	-60.95	347.00	4.51	-56.43
O=C([O-])COCCOCCNC(=O)C1=CC=C2C=CC=C(Br)C2=C1	REAL000000134589	0	41	-1.0	-60.00	370.21	7.32	-52.68
O=C([O-])COCCOCCNC(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL000000134590	0	47	-1.0	-60.42	401.98	8.30	-52.11
CC1=CC(F)=C2N=CC(C(=O)NCCOCCOCC(=O)[O-])=CC2=C1	REAL000000134591	0	43	-1.0	-58.12	374.62	5.67	-52.45
CN1C=C(C2=NC(C(=O)NCCOCCOCC(=O)[O-])=CO2)C=N1	REAL000000134592	0	41	-1.0	-59.93	369.60	0.69	-59.25
COC1=C2C=C(C(=O)NCCOCCOCC(=O)[O-])NC2=C(C)C=C1	REAL000000134593	0	46	-1.0	-59.29	390.17	4.44	-54.85
COC1=CC=C2C=C(C(=O)NCCOCCOCC(=O)[O-])C=CC2=N1	REAL000000134594	0	44	-1.0	-57.57	378.95	3.43	-54.14
CC1=CN2C(C(=O)NCCOCCOCC(=O)[O-])=CN=C2S1	REAL000000134595	0	38	-1.0	-59.07	342.55	4.97	-54.10
O=C([O-])COCCOCCNC(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL000000134596	0	45	-1.0	-58.26	402.65	5.31	-52.94
CCCCOC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000134597	0	51	-1.0	-57.90	424.71	7.05	-50.85
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=C(Cl)S1	REAL000000134598	0	32	-1.0	-52.92	330.90	4.64	-48.28
CC(C)(C)C1=CC=NC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134599	0	46	-1.0	-56.73	379.75	5.17	-51.56
CCCC(CCC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134600	0	53	-1.0	-55.43	428.48	8.85	-46.58
CCC(C)(C)C1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000134601	0	56	-1.0	-55.10	414.53	7.35	-47.75
CC1=CC=C2N=CC(C(=O)NCCOCCOCC(=O)[O-])=CC2=C1	REAL000000134602	0	43	-1.0	-57.32	368.40	5.57	-51.75
COC1CC2(C1)CCC(C(=O)NCCOCCOCC(=O)[O-])CC2	REAL000000134603	0	52	-1.0	-56.98	408.80	5.44	-51.53
O=C([O-])COCCOCCNC(=O)C1COC2COCC21	REAL000000134604	0	41	-1.0	-55.49	338.30	0.90	-54.60
O=C([O-])COCCOCCNC(=O)C1=CC=C2OCCC(=O)C2=C1	REAL000000134605	0	42	-1.0	-63.12	361.69	4.31	-58.81
CCC(CCC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134606	0	50	-1.0	-56.64	410.44	7.92	-48.72
CN1C=C(C2=CC(C(=O)NCCOCCOCC(=O)[O-])=NO2)N=N1	REAL000000134607	0	40	-1.0	-61.88	363.29	2.15	-59.73
COC1(C(F)(F)C(=O)NCCOCCOCC(=O)[O-])CCCC1	REAL000000134608	0	45	-1.0	-53.13	365.16	4.93	-48.20
O=C([O-])COCCOCCNC(=O)C1CCC2(CC(=O)C2)CC1	REAL000000134609	0	47	-1.0	-60.24	378.84	5.58	-54.65
O=C([O-])COCCOCCNC(=O)C1CC12CCC(F)(F)CC2	REAL000000134610	0	45	-1.0	-58.46	372.06	6.16	-52.30
CN(C)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL000000134611	0	45	-1.0	-56.71	386.13	5.84	-50.87
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=NC2=NC(Cl)=C1	REAL000000134612	0	39	-1.0	-57.73	353.76	4.40	-53.33
COC(=O)C1=CSC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134613	0	38	-1.0	-60.64	353.79	4.20	-56.44
CC(C)(C)C1=CN=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134614	0	46	-1.0	-55.61	377.23	5.07	-50.53
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL000000134615	0	43	-1.0	-55.49	395.34	6.65	-48.84
COC1CC(CC(=O)NCCOCCOCC(=O)[O-])C1(C)C	REAL000000134616	0	48	-1.0	-54.73	387.51	4.40	-50.33
N#CC1=CC=C(C2=C(C(=O)NCCOCCOCC(=O)[O-])N=CO2)C=C1	REAL000000134618	0	42	-1.0	-58.41	381.91	3.32	-55.09
CC1(C(=O)NCCOCCOCC(=O)[O-])CC2=CC(Cl)=CC=C2C(=O)O1	REAL000000134619	0	45	-1.0	-54.13	397.69	6.64	-47.48
CC(C)(C)C1=CC=NC2=C(C(=O)NCCOCCOCC(=O)[O-])C=NN21	REAL000000134621	0	49	-1.0	-66.36	403.90	5.96	-60.40
O=C([O-])COCCOCCNC(=O)C12CCCN1C(=O)CCCC2	REAL000000134622	0	49	-1.0	-61.48	377.22	5.06	-56.42
O=C([O-])COCCOCCNC(=O)C1CCC2(CC2(F)F)C1	REAL000000134623	0	42	-1.0	-54.77	358.48	5.62	-49.15
O=C([O-])COCCOCCNC(=O)C1CCCC2C1C2(F)F	REAL000000134624	0	42	-1.0	-54.77	347.78	5.52	-49.25
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL000000134625	0	45	-1.0	-53.69	391.64	7.12	-46.57
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000134626	0	46	-1.0	-58.53	380.96	6.30	-52.23
O=C([O-])COCCOCCNC(=O)CCC1=CC=CC(Br)=C1F	REAL000000134627	0	41	-1.0	-55.42	377.80	6.66	-48.76
NC(CC1=CSC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134628	1	40	-1.0	-53.52	356.65	1.97	-51.55
CSC1=CC=C(Cl)C(CC(N)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134629	1	47	-1.0	-55.16	418.05	4.38	-50.78
O=C([O-])COCCOCCNC(=O)C1=C(C(F)(F)F)N=CN1	REAL000000134630	0	35	-1.0	-61.78	321.94	3.09	-58.70
CN(C)C1(C(=O)NCCOCCOCC(=O)[O-])COC2=CC=CC=C2C1	REAL000000134631	0	51	-1.0	-56.45	401.61	3.94	-52.51
O=C([O-])COCCOCCNC(=O)C1(C2CCC2)CC1(F)F	REAL000000134632	0	42	-1.0	-58.30	349.66	5.80	-52.50
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134633	0	53	-1.0	-54.09	382.87	6.80	-47.30
N[C@H](C(=O)NCCOCCOCC(=O)[O-])[C@@H]1CC2=CC=CC=C2O1	REAL000000134634	1	45	-1.0	-57.36	379.86	2.36	-55.00
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C(F)F)=NN1C	REAL000000134635	0	41	-1.0	-63.21	365.05	3.46	-59.75
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL000000134636	0	43	-2.0	-106.42	377.85	2.20	-104.22
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)NC(C2=CC=CO2)=N1	REAL000000134636	1	44	-1.0	-61.02	381.35	3.31	-57.72
COC1=CC(Br)=C(C(=O)NCCOCCOCC(=O)[O-])C=C1F	REAL000000134637	0	39	-1.0	-55.42	357.59	4.57	-50.85
O=C([O-])COCCOCCNC(=O)C1=CC(C2CCCC2)=NN1	REAL000000134638	0	45	-1.0	-55.12	372.09	4.11	-51.02
O=C([O-])COCCOCCNC(=O)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL000000134639	0	45	-1.0	-65.49	393.67	0.90	-64.58
CC1(C)OC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C2NC1=O	REAL000000134640	0	47	-1.0	-58.76	396.06	3.11	-55.66
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=C1CCC(=O)N2	REAL000000134641	0	43	-1.0	-58.10	359.79	3.72	-54.39
COC(=O)C1=C2C=CC=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=C1	REAL000000134642	0	47	-1.0	-57.66	395.73	7.24	-50.42
CN1N=CC2=NC(C(F)F)=C(C(=O)NCCOCCOCC(=O)[O-])C=C21	REAL000000134643	0	43	-1.0	-56.13	379.38	3.47	-52.66
O=C([O-])COCCOCCNC(=O)C1=CN=CC2=C1CCNC2=O	REAL000000134644	0	42	-1.0	-55.97	355.02	1.20	-54.76
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=NC=C1C(F)F	REAL000000134645	0	40	-1.0	-57.10	352.95	4.24	-52.86
O=C([O-])COCCOCCNC(=O)C1=CC2=C(CCCNC2=O)S1	REAL000000134646	0	43	-1.0	-64.26	375.28	2.84	-61.41
CN(C)C(=O)C1=CN=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134647	0	44	-1.0	-63.95	370.18	2.38	-61.57
O=C([O-])COCCOCCNC(=O)C1CCC2C1C2(F)F	REAL000000134648	0	39	-1.0	-63.02	329.59	4.76	-58.25
O=C([O-])COCCOCCNC(=O)C1=CC=C2C=CN=C(Cl)C2=N1	REAL000000134649	0	39	-1.0	-59.09	360.35	3.73	-55.36
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C(C)N)=N1	REAL000000134651	1	42	-1.0	-55.05	368.37	0.79	-54.25
O=C([O-])COCCOCCNC(=O)C[C@@H]1CN[C@@H]2COC[C@H]2O1	REAL000000134656	1	46	-1.0	-59.31	368.35	-0.46	-59.76
COC1=CC=CC=C1OC(C)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134657	0	46	-1.0	-63.68	385.15	5.52	-58.16
COC1=CC=CC2=C1CC(C(=O)NCCOCCOCC(=O)[O-])N2	REAL000000134660	0	45	-1.0	-57.88	378.25	3.08	-54.80
NC(C(=O)NCCOCCOCC(=O)[O-])(C1CC1)C(F)(F)F	REAL000000134661	0	40	-1.0	-51.83	347.20	2.14	-49.69
CN1N=C2CCNCC2=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134663	1	44	-1.0	-56.43	369.58	0.89	-55.55
CC1=C(Cl)C=NN1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000134664	0	38	-1.0	-58.24	348.68	3.61	-54.63
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1S(=O)(=O)N(C)C	REAL000000134665	0	49	-1.0	-63.95	408.47	3.04	-60.91
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])N2C=C(C)SC2=N1	REAL000000134666	0	44	-1.0	-59.08	382.06	6.32	-52.76
CC(C)C(N)(C(=O)NCCOCCOCC(=O)[O-])C(F)(F)F	REAL000000134667	0	42	-1.0	-51.66	348.40	1.60	-50.06
O=C([O-])COCCOCCNC(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL000000134668	0	38	-1.0	-57.72	357.06	5.97	-51.75
O=C([O-])COCCOCCNC(=O)C1CCC(C2CCCO2)O1	REAL000000134669	0	47	-1.0	-58.52	384.31	3.90	-54.62
CN1N=NC2=C(C(=O)NCCOCCOCC(=O)[O-])C=CC=C21	REAL000000134670	0	40	-1.0	-71.49	348.51	3.19	-68.30
O=C([O-])COCCOCCNC(=O)C1=CN=C2OCCCC2=C1	REAL000000134671	0	42	-1.0	-58.29	354.48	2.07	-56.22
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=NC=C2)=NO1	REAL000000134672	0	40	-1.0	-55.00	359.64	3.77	-51.23
O=C([O-])COCCOCCNC(=O)C(F)(F)CCC1=CC=CC=C1	REAL000000134673	0	44	-1.0	-52.60	383.50	6.94	-45.66
CC1=CC2=C(C=C(C(=O)NCCOCCOCC(=O)[O-])S2)S1	REAL000000134674	0	38	-1.0	-55.94	356.86	5.83	-50.11
O=C([O-])COCCOCCNC(=O)C1CC=CC2=CC=CC=C21	REAL000000134675	0	43	-1.0	-57.81	361.34	6.77	-51.04
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL000000134676	0	41	-1.0	-54.50	383.85	6.95	-47.55
O=C([O-])COCCOCCNC(=O)C1=CN2C=NN=C2C=N1	REAL000000134677	0	36	-1.0	-57.39	323.84	4.09	-53.30
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000134678	0	46	-1.0	-63.24	401.90	0.73	-62.51
O=C([O-])COCCOCCNC(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL000000134679	0	48	-1.0	-55.86	413.51	8.01	-47.85
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=NC2=CC=C1	REAL000000134680	0	40	-1.0	-58.13	341.54	4.89	-53.24
O=C([O-])COCCOCCNC(=O)C1=C2SC=CC2=CN=C1	REAL000000134681	0	37	-1.0	-58.52	335.44	4.15	-54.37
CC(C)C(C)C(C)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000134682	0	49	-1.0	-54.32	375.58	5.77	-48.56
COC1CC2(C1)CC(C(=O)NCCOCCOCC(=O)[O-])C2	REAL000000134683	0	46	-1.0	-56.27	379.36	4.37	-51.90
CC1=CC2=C(OCC2)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134684	0	43	-1.0	-62.23	362.07	5.98	-56.25
O=C([O-])COCCOCCNC(=O)CC1CCCNC(=O)C1	REAL000000134685	0	45	-1.0	-67.06	362.60	2.09	-64.97
CC1(C)CCC(C(=O)NCCOCCOCC(=O)[O-])CO1	REAL000000134686	0	45	-1.0	-54.47	357.33	3.58	-50.88
O=C([O-])COCCOCCNC(=O)C1CCCCC12CCC2	REAL000000134687	0	48	-1.0	-55.04	365.76	6.45	-48.59
CC12CC(C(=O)NCCOCCOCC(=O)[O-])(CO1)CCC2	REAL000000134688	0	46	-1.0	-53.18	361.73	3.93	-49.24
O=C([O-])COCCOCCNC(=O)C12CCCC1C2(F)F	REAL000000134689	0	39	-1.0	-58.10	336.36	4.94	-53.16
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL000000134690	0	42	-1.0	-56.16	386.94	7.36	-48.81
O=C([O-])COCCOCCNC(=O)CN1C=C(I)C=N1	REAL000000134691	0	35	-1.0	-59.62	338.80	3.74	-55.87
O=C([O-])COCCOCCNC(=O)C1=CN=C2C=C(Br)C=CN12	REAL000000134692	0	38	-1.0	-56.86	352.50	5.46	-51.39
CN1C=NC2=C(C(=O)NCCOCCOCC(=O)[O-])C=CC=C21	REAL000000134693	0	41	-1.0	-68.68	353.61	6.03	-62.65
O=C([O-])COCCOCCNC(=O)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL000000134694	0	51	-1.0	-56.13	404.73	8.13	-48.00
O=C([O-])COCCOCCNC(=O)C12CCCCC1C2(F)F	REAL000000134695	0	42	-1.0	-53.56	346.76	5.38	-48.18
O=C([O-])COCCOCCNC(=O)C1=C(Cl)C=NN1C1CCCC1	REAL000000134696	0	45	-1.0	-51.85	393.11	5.58	-46.26
O=C([O-])COCCOCCNC(=O)C1=CC(C2=CC=CC=N2)=NN1	REAL000000134697	0	41	-1.0	-59.65	363.84	2.86	-56.79
CC1CC(=O)NC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2N1	REAL000000134698	0	48	-1.0	-58.62	398.99	2.61	-56.01
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CC=CC=N2)S1	REAL000000134699	0	41	-1.0	-58.01	373.01	5.55	-52.46
O=C([O-])COCCOCCNC(=O)C1=CC2=NC=CC=C2N1	REAL000000134702	0	38	-1.0	-59.98	334.32	2.61	-57.37
CN1C=NC2=C1CCCC2C(=O)NCCOCCOCC(=O)[O-]	REAL000000134703	0	45	-1.0	-60.42	369.62	6.41	-54.01
COC1=C2C=CC=NC2=C(C(=O)NCCOCCOCC(=O)[O-])C=C1Cl	REAL000000134704	0	44	-1.0	-60.89	393.10	5.41	-55.48
O=C([O-])COCCOCCNC(=O)C1=CC=CN2N=NC=C12	REAL000000134705	0	37	-1.0	-64.89	326.26	3.01	-61.87
NC1=C(F)C=CC(C(=O)NCCOCCOCC(=O)[O-])=C1F	REAL000000134707	0	37	-1.0	-58.33	329.84	2.62	-55.71
CC(C)(C)C1CCC2=C(C=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)N2)C1	REAL000000134708	0	57	-1.0	-62.67	439.91	6.22	-56.45
CP(C)(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134709	0	44	-1.0	-65.10	385.77	4.13	-60.97
O=C([O-])COCCOCCNC(=O)CC1=C(F)C=CC(F)=C1Br	REAL000000134710	0	38	-1.0	-56.26	359.45	5.82	-50.44
O=C([O-])COCCOCCNC(=O)C1=CC=CC(N=S2(=O)CCCC2)=C1	REAL000000134711	0	49	-1.0	-70.90	411.31	4.38	-66.52
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C(C)C(C)C	REAL000000134712	0	50	-1.0	-57.47	406.21	5.78	-51.69
CCCSC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134713	0	45	-1.0	-58.53	388.87	7.22	-51.31
COC1=CC=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000134714	0	38	-1.0	-56.00	347.66	1.90	-54.09
COC1=CC=C2C(=C1)CCCC2C(=O)NCCOCCOCC(=O)[O-]	REAL000000134715	0	49	-1.0	-57.77	397.02	6.33	-51.44
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL000000134716	0	44	-1.0	-57.01	394.02	6.76	-50.25
CCCCSC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134717	0	48	-1.0	-58.47	410.37	8.00	-50.47
O=C([O-])COCCOCCNC(=O)C(O)C1=CC=C(Cl)C=C1Cl	REAL000000134718	0	39	-1.0	-54.64	361.99	4.40	-50.23
CC1=NC=NC2=C1CC(C(=O)NCCOCCOCC(=O)[O-])CC2	REAL000000134719	0	46	-1.0	-56.53	376.55	5.43	-51.09
O=C([O-])COCCOCCNC(=O)C1=NOC(COC2=CC=CC=C2)=C1	REAL000000134720	0	45	-1.0	-58.10	396.25	5.25	-52.84
CC(C)N(C)C(=O)CCC(=O)NCCOCCOCC(=O)[O-]	REAL000000134721	0	47	-1.0	-56.78	385.72	4.05	-52.73
CC1C(=O)N(CC(=O)NCCOCCOCC(=O)[O-])C(=O)C1C	REAL000000134722	0	44	-1.0	-63.20	377.35	3.47	-59.74
O=C([O-])COCCOCCNC(=O)C1=COC2=CC=C(Br)C=C12	REAL000000134723	0	38	-1.0	-60.22	355.71	5.49	-54.73
O=C([O-])COCCOCCNC(=O)C1CCC(OC(F)(F)F)CC1	REAL000000134724	0	45	-1.0	-56.79	377.85	4.45	-52.34
O=C([O-])COCCOCCNC(=O)CC1=CSC(Cl)=C1	REAL000000134725	0	35	-1.0	-56.41	337.38	4.79	-51.62
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134726	0	44	-1.0	-53.75	399.09	7.48	-46.27
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=C(Br)C=C2O1	REAL000000134727	0	38	-1.0	-54.04	358.22	5.55	-48.49
CC(CC(=O)NCCOCCOCC(=O)[O-])CC(F)(F)F	REAL000000134729	0	40	-1.0	-57.19	343.02	4.58	-52.61
O=C([O-])COCCOCCNC(=O)CC1CCC2(CCCC2)CC1	REAL000000134730	0	54	-1.0	-54.77	408.12	7.64	-47.12
O=C([O-])COCCOCCNC(=O)C1=CC=C(F)C2=C1CCNC2	REAL000000134732	1	44	-1.0	-54.74	363.44	3.29	-51.45
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CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(C#N)C=C1	REAL000000134789	0	42	-1.0	-57.77	367.08	6.17	-51.60
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C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134791	0	49	-1.0	-67.45	414.31	5.71	-61.74
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NC(=O)C1=CC=C(F)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134830	0	39	-1.0	-64.24	344.75	1.42	-62.82
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NC1=C2C=CN(CC(=O)NCCOCCOCC(=O)[O-])C2=CC=C1	REAL000000134833	0	44	-1.0	-62.42	378.35	4.56	-57.86
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CCC1=CC=CC(CC)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000134836	0	50	-1.0	-55.91	398.70	7.48	-48.42
CC1(C)CCCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000134837	0	50	-1.0	-54.26	372.04	6.12	-48.14
O=C([O-])COCCOCCNC(=O)C1CC2(CC(OCC3=CC=CC=C3)C2)C1	REAL000000134838	0	56	-1.0	-56.21	461.13	8.38	-47.84
CC(C)[C@H]1CC[C@@H](C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000134839	0	50	-1.0	-54.58	380.87	6.41	-48.17
CC(C)N1C=C(C2CC2C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000134840	0	48	-1.0	-57.75	402.95	5.77	-51.97
CN1C=NC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C2C1=O	REAL000000134841	0	43	-1.0	-63.04	371.87	5.25	-57.80
O=C([O-])COCCOCCNC(=O)C1=CC=C(OCC(F)F)C=C1	REAL000000134842	0	42	-1.0	-61.35	370.00	5.10	-56.25
CC1CC(=O)NCC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134843	0	42	-1.0	-57.34	347.68	1.33	-56.00
CCN1N=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1Br	REAL000000134844	0	38	-1.0	-56.35	368.41	4.15	-52.20
NC(=O)C1=CC(F)=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134845	0	39	-1.0	-61.93	346.63	1.40	-60.52
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CC1(C)C(C)(C)C1(F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134847	0	44	-1.0	-56.73	355.32	5.40	-51.33
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CC1(C)CC(CC(=O)NCCOCCOCC(=O)[O-])CO1	REAL000000134855	0	45	-1.0	-56.73	366.12	3.79	-52.94
CC(C(=O)NCCOCCOCC(=O)[O-])C1=C2C=CC=CC2=CC=C1	REAL000000134856	0	47	-1.0	-57.89	388.17	7.85	-50.04
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COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(F)=C1F	REAL000000134858	0	39	-1.0	-54.51	347.70	4.00	-50.51
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C2N=CC=CC2=C1	REAL000000134859	0	44	-1.0	-64.23	374.22	4.66	-59.56
O=C([O-])COCCOCCNC(=O)C1=CC(C(F)(F)F)=NC=C1Cl	REAL000000134860	0	37	-1.0	-53.75	354.11	4.39	-49.36
O=C([O-])COCCOCCNC(=O)C1=NC2=CNN=C2C=C1	REAL000000134861	0	37	-1.0	-60.27	329.05	1.47	-58.80
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CC(C)(C)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(Cl)=N1	REAL000000134865	0	46	-1.0	-58.91	392.60	5.83	-53.08
CN1C(=O)NC2(CCC(C(=O)NCCOCCOCC(=O)[O-])CC2)C1=O	REAL000000134866	0	50	-1.0	-65.71	402.89	2.23	-63.48
COC1(C#N)CC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000134867	0	40	-1.0	-56.32	348.19	2.57	-53.74
O=C([O-])COCCOCCNC(=O)C1=CC=CC(C2=NNC=C2)=C1	REAL000000134868	0	42	-1.0	-65.57	364.62	4.56	-61.00
CC1=CC=CC2=C(C(=O)NCCOCCOCC(=O)[O-])NN=C21	REAL000000134869	0	41	-1.0	-58.05	354.22	3.88	-54.17
O=C([O-])COCCOCCNC(=O)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL000000134870	0	40	-1.0	-62.81	374.51	3.95	-58.86
NC(CC1=C2C=CC=CC2=NN1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134873	1	46	-1.0	-57.34	391.59	1.68	-55.66
O=C([O-])COCCOCCNC(=O)CCNOCC1=CC=CC=C1	REAL000000134875	0	47	-1.0	-58.21	403.59	4.40	-53.80
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CC1CCCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000134877	0	47	-1.0	-54.28	362.19	5.91	-48.37
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1Cl	REAL000000134878	0	41	-1.0	-56.21	359.96	6.19	-50.02
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CCCN1C=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000134885	0	41	-1.0	-59.40	369.29	4.48	-54.91
CC(C)(C)C1CCNC2=C(C(=O)NCCOCCOCC(=O)[O-])C=NN21	REAL000000134886	0	53	-1.0	-59.36	415.26	4.90	-54.46
CNC1=C(C(=O)NCCOCCOCC(=O)[O-])SC2=NC=CN=C21	REAL000000134887	0	41	-1.0	-60.01	367.31	1.31	-58.70
CC1=NN=C2SC(C(=O)NCCOCCOCC(=O)[O-])=C(N)C2=C1C	REAL000000134888	0	44	-1.0	-59.11	377.20	2.49	-56.63
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=C(C)C=C2)=NO1	REAL000000134889	0	47	-1.0	-55.90	406.91	7.19	-48.72
CCN1N=C(Br)C(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000134890	0	37	-1.0	-55.69	347.44	2.01	-53.68
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CC1=NNC(C(=O)NCCOCCOCC(=O)[O-])=C1Cl	REAL000000134891	1	35	-1.0	-55.55	324.38	2.13	-53.42
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(Cl)N=C1C	REAL000000134892	0	40	-1.0	-59.28	352.01	4.38	-54.90
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O=C([O-])COCCOCCNC(=O)C(C1=CC=C(F)C=C1)C1CC1	REAL000000134894	0	45	-1.0	-56.64	380.67	7.51	-49.13
CC12CC(C(=O)NCCOCCOCC(=O)[O-])(C1)CCO2	REAL000000134895	0	43	-1.0	-54.93	347.60	3.38	-51.55
CC1=CC=CC=C1C1=CC(C(=O)NCCOCCOCC(=O)[O-])=NO1	REAL000000134896	0	44	-1.0	-55.54	384.58	6.20	-49.34
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CC(C)C1=NOC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL000000134899	0	42	-1.0	-63.51	356.57	4.32	-59.19
CC1=CC(C(F)(F)C(=O)NCCOCCOCC(=O)[O-])=CS1	REAL000000134900	0	38	-1.0	-52.93	352.78	5.11	-47.82
O=C([O-])COCCOCCNC(=O)C1=CN(CC(F)F)N=C1	REAL000000134901	0	38	-1.0	-58.89	344.11	3.46	-55.42
CC1=NN(CC(F)(F)F)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134902	0	41	-1.0	-55.92	367.91	4.18	-51.74
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=C(Cl)N=C1Cl	REAL000000134903	0	37	-1.0	-52.60	348.04	4.23	-48.38
CC1=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=C(N2C=NN=N2)S1	REAL000000134904	0	43	-1.0	-63.18	387.98	5.05	-58.13
CC12CC3(C)CC(F)(C1)CC(C(=O)NCCOCCOCC(=O)[O-])(C2)C3	REAL000000134905	0	55	-1.0	-53.76	417.01	7.52	-46.24
CN1C=C(C(F)(F)C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000134906	0	38	-1.0	-55.03	344.42	3.14	-51.88
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CC1(C(=O)NCCOCCOCC(=O)[O-])CCCCNC1=O	REAL000000134909	0	45	-1.0	-55.54	350.86	2.40	-53.13
COC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])C(C(F)(F)F)=N1	REAL000000134910	0	40	-1.0	-57.95	359.87	0.44	-57.51
O=C([O-])COCCOCCNC(=O)C1=CC=C(CN2CCOCC2)C=C1	REAL000000134911	0	51	-1.0	-57.63	414.57	3.63	-54.00
CC1CN(CC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)CCO1	REAL000000134913	0	54	-1.0	-57.32	434.86	4.20	-53.12
CCNC(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000134914	0	50	-1.0	-59.57	402.43	3.39	-56.18
COC1=CC([C@@H](C)CC(=O)NCCOCCOCC(=O)[O-])=CC=C1C	REAL000000134915	0	51	-1.0	-56.50	414.76	6.52	-49.98
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134916	0	51	-1.0	-56.05	417.42	6.14	-49.92
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NCCOCCOCC(=O)[O-])C=N1	REAL000000134917	0	51	-1.0	-56.93	421.11	6.85	-50.08
O=C([O-])COCCOCCNC(=O)C1=CC=C2N=CNC2=N1	REAL000000134918	0	37	-1.0	-59.70	328.51	3.50	-56.20
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O=C([O-])COCCOCCNC(=O)C1CCCC2(CCC2)C1	REAL000000134921	0	48	-1.0	-54.97	375.39	6.47	-48.50
CC1CC(C(=O)NCCOCCOCC(=O)[O-])CCS1	REAL000000134922	0	42	-1.0	-54.49	351.84	5.25	-49.24
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1	REAL000000134923	0	49	-1.0	-58.68	418.73	7.81	-50.86
O=C([O-])COCCOCCNC(=O)C1=NN2CC3(CC3)CC2=C1	REAL000000134924	0	43	-1.0	-59.48	367.10	4.51	-54.97
O=C([O-])COCCOCCNC(=O)C1(C2=CC=NC=C2)CC1	REAL000000134925	0	41	-1.0	-58.45	351.67	4.51	-53.95
CC(C)(C(=O)NCCOCCOCC(=O)[O-])N1C=CC(C2CC2)=N1	REAL000000134926	0	48	-1.0	-64.03	396.76	5.97	-58.06
CC1(C)COC(C(=O)NCCOCCOCC(=O)[O-])CN1	REAL000000134928	1	44	-1.0	-58.62	356.42	1.19	-57.44
CCCCC[C@@H](O)CC(=O)NCCOCCOCC(=O)[O-]	REAL000000134930	0	47	-1.0	-58.19	387.01	3.74	-54.45
O=C([O-])COCCOCCNC(=O)CC1CCS(=O)(=O)CC1	REAL000000134931	0	44	-1.0	-61.18	368.85	1.53	-59.66
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134932	0	41	-1.0	-58.51	366.26	4.60	-53.91
CC1=C(C(=O)NCCOCCOCC(=O)[O-])N2C=CC=CC2=N1	REAL000000134933	0	41	-1.0	-58.39	357.57	5.38	-53.01
COC12CCC(C(=O)NCCOCCOCC(=O)[O-])(CC1)C2	REAL000000134934	0	46	-1.0	-56.94	370.15	3.83	-53.11
O=C([O-])COCCOCCNC(=O)C12CC3CC(CC(C3)O1)C2	REAL000000134935	0	47	-1.0	-54.82	364.22	4.51	-50.31
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CS2)CCOCC1	REAL000000134936	0	46	-1.0	-54.75	378.72	4.94	-49.82
CC1=CC=C(C(C(=O)NCCOCCOCC(=O)[O-])C2CC2)C=C1	REAL000000134937	0	48	-1.0	-55.48	401.03	7.95	-47.53
COC1CC(CCC(=O)NCCOCCOCC(=O)[O-])C1	REAL000000134938	0	45	-1.0	-57.80	373.54	4.07	-53.73
CN1C=C(Br)C(OCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000134939	0	39	-1.0	-62.75	366.72	2.19	-60.56
CC(C)CC1=NC=CC(C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000134941	0	45	-1.0	-55.02	380.54	4.59	-50.43
O=C([O-])COCCOCCNC(=O)C1=NN2C=CC=NC2=C1Cl	REAL000000134942	0	37	-1.0	-64.84	346.48	3.85	-60.99
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])N2C=CC=CC2=N1	REAL000000134943	0	44	-1.0	-61.25	379.05	6.12	-55.14
CC1=CC(F)=CC=C1C1(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000134944	0	45	-1.0	-57.20	381.26	6.89	-50.30
CC1=CC=C(F)C=C1C1(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000134945	0	45	-1.0	-53.46	381.14	6.88	-46.57
O=C([O-])COCCOCCNC(=O)C(O)CC1=CC=CC=C1	REAL000000134949	0	42	-1.0	-56.90	361.47	3.95	-52.96
O=C([O-])COCCOCCNC(=O)C1=C2NCCCN2N=C1	REAL000000134950	0	41	-1.0	-60.25	346.18	2.14	-58.11
O=C([O-])COCCOCCNC(=O)[C@@H](O)CC1=CC=CC=C1	REAL000000134951	0	42	-1.0	-55.52	361.47	3.95	-51.57
CCC1=NC(C)=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL000000134952	0	40	-1.0	-55.32	346.19	1.40	-53.93
N#CC1=CC=CC(CC(N)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000134955	1	44	-1.0	-59.27	384.98	3.40	-55.87
O=C([O-])COCCOCCNC(=O)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL000000134957	0	44	-1.0	-62.82	385.38	6.91	-55.91
COC1=CC=C2N=CC=CC2=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134958	0	44	-1.0	-60.24	378.86	4.03	-56.21
CCC1=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=NO1	REAL000000134959	0	40	-1.0	-55.95	345.05	4.05	-51.89
COC(=O)C1=CC=C(C[C@H](N)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000134960	1	49	-1.0	-57.96	418.92	3.67	-54.29
O=C([O-])COCCOCCNC(=O)C1CNC2(CCC2)CO1	REAL000000134961	1	45	-1.0	-57.16	364.12	1.78	-55.39
CC(C)C1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000134963	0	51	-1.0	-58.55	432.67	7.68	-50.87
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CN2C(Br)=N1	REAL000000134964	0	38	-1.0	-60.90	355.54	5.60	-55.30
O=C([O-])COCCOCCNC(=O)C1CCCCNC1=O	REAL000000134965	0	42	-1.0	-56.03	331.99	1.96	-54.07
N[C@]1(C(=O)NCCOCCOCC(=O)[O-])C[C@H]1C1=CC=CC=C1	REAL000000134968	1	44	-1.0	-57.68	367.98	3.69	-53.99
O=C([O-])COCCOCCNC(=O)C1=NNC=C1C1CCC1	REAL000000134969	0	42	-1.0	-59.18	353.02	3.65	-55.52
CC1CC(C)(C(=O)NCCOCCOCC(=O)[O-])CC(C)O1	REAL000000134970	0	48	-1.0	-57.17	373.62	4.20	-52.97
O=C([O-])COCCOCCNC(=O)C1(C2=CC=C(Cl)C=C2)CC(F)(F)C1	REAL000000134971	0	45	-1.0	-58.14	402.73	7.45	-50.68
COCCN1C=CC=C(C(=O)NCCOCCOCC(=O)[O-])C1=O	REAL000000134972	0	45	-1.0	-71.04	381.18	4.20	-66.84
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=C1NC(=O)CC2	REAL000000134973	0	43	-1.0	-64.10	360.60	4.15	-59.95
O=C([O-])COCCOCCNC(=O)[C@]12COC[C@H]1C2(F)F	REAL000000134975	0	37	-1.0	-54.93	327.80	2.35	-52.58
O=C([O-])COCCOCCNC(=O)C1=NN(CC(F)(F)F)C=C1Cl	REAL000000134976	0	38	-1.0	-63.22	365.77	4.21	-59.01
O=C([O-])COCCOCCNC(=O)C1=CC=CN(C2CCC2)C1=O	REAL000000134977	0	45	-1.0	-66.25	371.93	5.53	-60.72
O=C([O-])COCCOCCNC(=O)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL000000134978	0	40	-1.0	-66.36	369.42	5.10	-61.26
CC1=CC=C(F)C=C1C(F)(F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134979	0	41	-1.0	-52.11	360.77	5.75	-46.36
O=C([O-])COCCOCCNC(=O)C(F)(F)C1=CC(F)=CC=C1F	REAL000000134980	0	38	-1.0	-54.94	350.95	5.39	-49.55
O=C([O-])COCCOCCNC(=O)C(F)(F)C1=CC=CC(F)=C1F	REAL000000134981	0	38	-1.0	-56.12	350.84	5.39	-50.73
CCC1=CC=CC=C1C(F)(F)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134982	0	44	-1.0	-53.78	371.12	6.27	-47.51
O=C([O-])COCCOCCNC(=O)CC(C1=CC=CC=C1)N1C=NN=N1	REAL000000134983	0	46	-1.0	-65.25	393.93	5.52	-59.73
O=C([O-])COCCOCCNC(=O)C1=C[N-]N2C1=NC=CC2=O	REAL000000134984	0	37	-2.0	-99.14	335.65	2.33	-96.81
CC(C)(CC1=CC=C(O)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134985	0	48	-1.0	-55.97	392.36	4.00	-51.96
O=C([O-])COCCOCCNC(=O)C1(CC2=CC=C(O)C=C2)CC1	REAL000000134986	0	46	-1.0	-59.75	392.85	4.28	-55.47
CC(C)(CC1=NNN=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134987	0	43	-1.0	-56.14	356.53	2.32	-53.82
CC(C)(CC1=CNN=N1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134987	1	43	-1.0	-60.56	356.54	2.38	-58.18
CC(C)(CC1=CN=NN1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000134987	1	43	-1.0	-56.33	357.25	1.95	-54.38
CC(C1=CC=C(F)C=C1)N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL000000134988	0	52	-1.0	-60.16	429.23	7.15	-53.01
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=C(Cl)N=C2S1	REAL000000134989	0	37	-1.0	-56.53	356.48	4.49	-52.04
O=C([O-])COCCOCCNC(=O)CC1=CNC2=CC=CN=C12	REAL000000134990	0	41	-1.0	-66.95	357.09	3.45	-63.50
COC1=C2NC=C(CC(=O)NCCOCCOCC(=O)[O-])C2=CC=C1	REAL000000134991	0	46	-1.0	-62.12	391.79	4.58	-57.54
O=C([O-])COCCOCCNC(=O)C1=CC2=C(COCC2)N=C1Cl	REAL000000134992	0	42	-1.0	-58.95	367.38	3.27	-55.68
CC1=C(Br)C(=O)C(C(=O)NCCOCCOCC(=O)[O-])=CN1C	REAL000000134993	0	41	-1.0	-66.03	364.50	5.01	-61.02
O=C([O-])COCCOCCNC(=O)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL000000134994	0	39	-1.0	-54.93	362.43	5.05	-49.88
CC1=C(C(=O)NCCOCCOCC(=O)[O-])NC2=CC=C(C3=CC=CC=C3)C=C21	REAL000000134995	0	52	-1.0	-57.41	431.22	8.59	-48.82
CC1=C(C(=O)NCCOCCOCC(=O)[O-])NC2=C1CCCC2	REAL000000134996	0	46	-1.0	-57.32	374.07	5.43	-51.88
O=C([O-])COCCOCCNC(=O)C1=CC(CC2CCC2)=CN1	REAL000000134997	0	46	-1.0	-57.76	384.42	5.88	-51.89
CC1=C(C)NC(C=CC(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000134998	0	42	-1.0	-58.56	364.31	3.79	-54.77
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C=CS1	REAL000000134999	0	38	-1.0	-55.35	335.41	5.02	-50.33
CCCCN1C=C(C(=O)NCCOCCOCC(=O)[O-])N=N1	REAL000000135000	0	43	-1.0	-57.67	371.37	3.27	-54.40
CS(C)(=O)=NC1=CC=NC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000135001	0	44	-1.0	-72.31	383.80	1.15	-71.17
C[C@H]1C(=O)N(CC(=O)NCCOCCOCC(=O)[O-])C(=O)[C@H]1C	REAL000000135002	0	44	-1.0	-63.08	371.66	3.33	-59.74
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL000000135003	0	52	-1.0	-60.49	432.13	7.12	-53.37
O=C([O-])COCCOCCNC(=O)C1CC(C2CCOCC2)=NO1	REAL000000135004	0	47	-1.0	-64.96	389.39	3.83	-61.13
O=C([O-])COCCOCCNC(=O)C1CC(CC2=CC=CC=C2)=NO1	REAL000000135005	0	46	-1.0	-65.76	396.30	6.74	-59.02
CC(C)CC1=CC=C2C(N)=C(C(=O)NCCOCCOCC(=O)[O-])SC2=N1	REAL000000135006	0	51	-1.0	-58.61	427.82	5.53	-53.08
CCCC1=CC(C(=O)NCCOCCOCC(=O)[O-])=NN1C	REAL000000135008	0	44	-1.0	-59.25	374.22	4.35	-54.90
CCCC1=NN(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000135009	0	44	-1.0	-55.68	370.90	4.40	-51.28
O=C([O-])COCCOCCNC(=O)C1CCC2(CNC(=O)C2)CC1	REAL000000135011	0	49	-1.0	-64.44	387.65	2.67	-61.77
C[C@H](C1=CC=C(F)C=C1)N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL000000135012	0	52	-1.0	-68.97	429.36	7.04	-61.92
CC1=NOC2(CC(C(=O)NCCOCCOCC(=O)[O-])C2)C1	REAL000000135013	0	43	-1.0	-55.01	357.31	3.60	-51.41
O=C([O-])COCCOCCNC(=O)C1=C2CCCCC2=NNC1=O	REAL000000135014	0	44	-1.0	-57.88	360.41	2.80	-55.08
CC(C)CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=NO1	REAL000000135015	0	43	-1.0	-55.52	366.74	4.70	-50.82
O=C([O-])COCCOCCNC(=O)C1=CN=C(C2CCOCC2)S1	REAL000000135018	0	45	-1.0	-56.97	388.92	3.29	-53.68
CC1=CN2CC(C(=O)NCCOCCOCC(=O)[O-])CCC2=N1	REAL000000135019	0	45	-1.0	-57.06	372.33	5.29	-51.77
O=C([O-])COCCOCCNC(=O)C1(CC2=NNN=C2)CCOCC1	REAL000000135020	0	48	-1.0	-60.17	385.45	1.57	-58.60
O=C([O-])COCCOCCNC(=O)C1(CC2=CNN=N2)CCOCC1	REAL000000135020	1	48	-1.0	-57.63	385.46	1.64	-55.99
O=C([O-])COCCOCCNC(=O)C1(CC2=CN=NN2)CCOCC1	REAL000000135020	1	48	-1.0	-63.47	386.57	1.25	-62.22
O=C([O-])COCCOCCNC(=O)C1(CC2=NNN=C2)CCCC1	REAL000000135021	0	47	-1.0	-61.70	381.80	3.51	-58.19
O=C([O-])COCCOCCNC(=O)C1(CC2=CNN=N2)CCCC1	REAL000000135021	1	47	-1.0	-62.58	376.15	4.06	-58.52
O=C([O-])COCCOCCNC(=O)C1(CC2=CN=NN2)CCCC1	REAL000000135021	1	47	-1.0	-59.48	377.64	4.10	-55.37
O=C([O-])COCCOCCNC(=O)C1=CN=C2COCCC2=C1	REAL000000135022	0	42	-1.0	-56.13	354.69	2.82	-53.31
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000135023	0	43	-1.0	-54.23	367.88	6.60	-47.63
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=NN1CC(F)(F)F	REAL000000135024	0	41	-1.0	-61.22	369.30	4.01	-57.21
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CC(Cl)=C21	REAL000000135025	0	42	-1.0	-60.44	371.56	6.55	-53.90
CC1=C(C2CC2)ON=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000135026	0	41	-1.0	-55.71	355.63	4.87	-50.84
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000135027	0	44	-1.0	-55.41	382.93	6.23	-49.18
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O=C([O-])COCCOCCNC(=O)C=CC1=C(Br)SC=C1	REAL000000135029	0	36	-1.0	-57.23	350.34	5.34	-51.88
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(F)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000135030	0	49	-1.0	-54.34	416.22	6.24	-48.09
O=C([O-])COCCOCCNC(=O)C1=C(F)C=CC2=NNC=C21	REAL000000135031	0	38	-1.0	-61.17	342.80	3.15	-58.03
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O=C([O-])COCCOCCNC(=O)C1=CN=CC(N2C=CC=N2)=N1	REAL000000135034	0	40	-1.0	-55.41	358.52	3.21	-52.20
O=C([O-])COCCOCCNC(=O)C1=C2C=CN=CC2=CC(F)=C1	REAL000000135035	0	40	-1.0	-56.46	347.95	5.07	-51.38
CN1N=NC=C1C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000135036	0	44	-1.0	-60.80	375.28	4.32	-56.48
CC(=O)NC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL000000135037	0	45	-1.0	-62.14	378.49	5.30	-56.84
CCCC(C(=O)NCCOCCOCC(=O)[O-])N1SC2=CC=CC=C2C1=O	REAL000000135038	0	50	-1.0	-65.06	428.77	8.25	-56.80
CC(C)(C)C1=CC=CN=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000135039	0	46	-1.0	-55.92	363.36	4.97	-50.96
CC1=C(F)C=CC=C1C1(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000135041	0	45	-1.0	-54.43	380.01	6.86	-47.57
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CS2)CCCC1	REAL000000135042	0	45	-1.0	-54.47	373.83	6.76	-47.72
O=C([O-])COCCOCCNC(=O)C(C1=CC=CS1)C1CCCCC1	REAL000000135043	0	51	-1.0	-53.64	417.79	8.09	-45.55
C=C(C)[C@@H]1OCCC[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000135044	0	46	-1.0	-54.31	372.32	4.35	-49.96
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC2=NNN=C21	REAL000000135045	0	40	-1.0	-56.46	346.99	2.47	-53.99
CC1=C2NN=NC2=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000135045	1	40	-1.0	-56.77	348.06	2.37	-54.41
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CC1(C)NC(=O)CC1C(=O)NCCOCCOCC(=O)[O-]	REAL000000135047	0	42	-1.0	-57.02	348.80	1.08	-55.95
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CN1N=C(C(F)(F)F)C=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000135053	0	41	-1.0	-61.55	371.98	3.73	-57.81
CC1CC(CC(=O)NCCOCCOCC(=O)[O-])C(C)O1	REAL000000135054	0	45	-1.0	-55.23	361.22	3.68	-51.55
CCC1=CN2CCC(C(=O)NCCOCCOCC(=O)[O-])CC2=N1	REAL000000135055	0	48	-1.0	-60.22	393.90	6.05	-54.16
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COC1=C2C(C(=O)NCCOCCOCC(=O)[O-])=CSC2=CC=C1	REAL000000135057	0	42	-1.0	-60.02	365.77	6.60	-53.42
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CC2=NS1	REAL000000135058	0	37	-1.0	-57.95	336.58	4.46	-53.49
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(F)=C1	REAL000000135059	0	35	-1.0	-52.97	321.16	4.35	-48.62
CC1(C)[C@H](C(=O)NCCOCCOCC(=O)[O-])[C@@H]1C(F)F	REAL000000135060	0	41	-1.0	-58.18	338.17	4.82	-53.35
CN1N=NC2=C(C(=O)NCCOCCOCC(=O)[O-])C=CC=C21	REAL000000135061	0	40	-1.0	-71.49	348.51	3.19	-68.30
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CCOC1=CC=C(Cl)N=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000135064	0	41	-1.0	-59.55	369.17	4.75	-54.80
COC1=NC=C(C(=O)NCCOCCOCC(=O)[O-])C(C)=N1	REAL000000135065	0	40	-1.0	-55.53	344.25	-0.09	-55.62
CC(CC1=CC=NC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL000000135066	0	43	-1.0	-55.45	362.12	4.73	-50.72
O=C([O-])COCCOCCNC(=O)C1CC(N2C=CN=C2)C1	REAL000000135067	0	42	-1.0	-62.65	355.82	5.55	-57.10
O=C([O-])COCCOCCNC(=O)C1CCCN2C=NN=C12	REAL000000135068	0	41	-1.0	-65.64	343.61	5.49	-60.15
CC1=CC=CC(C(O)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000135070	0	42	-1.0	-55.91	359.36	3.97	-51.95
CC1=NC(C2CCOCC2)=NC(C)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000135076	0	53	-1.0	-55.11	434.66	4.16	-50.95
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)OC1(C)C	REAL000000135077	0	42	-1.0	-59.77	356.35	4.67	-55.10
O=C([O-])COCCOCCNC(=O)C(F)(F)C1(O)CCCC1	REAL000000135078	0	42	-1.0	-51.40	349.94	1.92	-49.47
O=C([O-])COCCOCCNC(=O)C1=NC=C2C=CSC2=C1	REAL000000135079	0	37	-1.0	-57.78	339.88	4.19	-53.59
CC(C)(C)C1=CC=C2C(N)=C(C(=O)NCCOCCOCC(=O)[O-])SC2=N1	REAL000000135080	0	51	-1.0	-58.78	427.87	4.86	-53.92
COC1=CC=C(Cl)C(F)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000135081	0	39	-1.0	-58.69	361.10	4.30	-54.38
N#CC1=CNC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C12	REAL000000135082	0	40	-1.0	-67.74	358.28	5.05	-62.68
O=C([O-])COCCOCCNC(=O)[C@]12CCO[C@H]1CC(=O)NC2	REAL000000135083	0	44	-1.0	-59.21	359.90	-0.01	-59.23
CCC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C(F)=C1	REAL000000135084	0	41	-1.0	-59.89	353.17	6.06	-53.83
CC1CCCC(O)(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000135085	0	48	-1.0	-56.16	366.52	3.39	-52.77
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(S(N)(=O)=O)S1	REAL000000135087	0	40	-1.0	-67.43	366.41	0.59	-66.84
O=C([O-])COCCOCCNC(=O)C1=CC=C2C=NC=CC2=N1	REAL000000135088	0	39	-1.0	-57.57	344.07	3.19	-54.38
CC(C)(C)C1CCC(C(O)C(=O)NCCOCCOCC(=O)[O-])CC1	REAL000000135089	0	57	-1.0	-55.37	419.35	4.41	-50.95
CCOC1=C(C(=O)NCCOCCOCC(=O)[O-])C=CS1	REAL000000135090	0	39	-1.0	-60.68	348.76	4.87	-55.82
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O=C([O-])COCCOCCNC(=O)C1=C2NC=CC2=CC(F)=C1	REAL000000135092	0	39	-1.0	-55.71	341.24	4.80	-50.90
CCC1=NNC(CC)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL000000135093	0	47	-1.0	-59.20	388.42	4.12	-55.08
O=C([O-])COCCOCCNC(=O)C1=CC2=C(C=CS2)N1	REAL000000135094	0	36	-1.0	-56.97	329.59	3.54	-53.44
CN(C)C1=NC2=C(C(=O)NCCOCCOCC(=O)[O-])C=CC=C2O1	REAL000000135095	0	45	-1.0	-67.40	384.53	3.35	-64.05
O=C([O-])COCCOCCNC(=O)[C@@H](O)CC1=CC=C2C=CC=CC2=C1	REAL000000135096	0	48	-1.0	-56.92	407.56	6.18	-50.75
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL000000135099	0	42	-1.0	-55.56	358.26	6.57	-48.99
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1	REAL000000135100	0	42	-1.0	-54.65	379.56	7.19	-47.46
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000135101	0	46	-1.0	-58.92	386.64	5.93	-52.99
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F	REAL000000135102	0	45	-1.0	-59.72	391.58	7.37	-52.35
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1	REAL000000135103	0	42	-1.0	-55.48	390.19	7.54	-47.94
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000135104	0	46	-1.0	-57.83	387.77	5.87	-51.95
O=C([O-])COCCOCCNC(=O)C1CCC2=NN=CN2C1	REAL000000135105	0	41	-1.0	-60.86	345.03	5.37	-55.49
N#CC1=CC=C([C@@H]2C[C@H]2C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL000000135106	0	43	-1.0	-57.13	379.09	6.96	-50.17
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL000000135107	0	42	-1.0	-55.56	358.26	6.57	-48.99
O=C([O-])COCCOCCNC(=O)[C@H]1C[C@@H]1C1=CC=CC=C1	REAL000000135108	0	42	-1.0	-56.72	358.27	6.57	-50.16
CC1C(C(=O)NCCOCCOCC(=O)[O-])C1C1=CC=CC=C1	REAL000000135109	0	45	-1.0	-55.74	375.49	7.08	-48.66
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL000000135111	0	46	-1.0	-54.65	404.26	6.36	-48.29
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCCOCCOCC(=O)[O-]	REAL000000135112	0	48	-1.0	-55.30	395.71	7.79	-47.51
O=C([O-])COCCOCCNC(=O)C1CCCN(CC(F)F)C1	REAL000000135113	0	46	-1.0	-58.60	369.37	2.81	-55.79
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1F	REAL000000135115	0	42	-1.0	-59.06	363.80	6.61	-52.46
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1	REAL000000135116	0	43	-1.0	-57.45	369.28	3.72	-53.73
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)NCCOCCOCC(=O)[O-])=C1	REAL000000135117	0	43	-1.0	-58.78	379.10	6.96	-51.82
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL000000135118	0	44	-1.0	-57.44	386.48	7.24	-50.19
CN1C=CC(C2=NNC=C2C(=O)NCCOCCOCC(=O)[O-])=N1	REAL000000135119	0	42	-1.0	-68.12	367.76	2.66	-65.47
O=C([O-])COCCOCCNC(=O)C12CC(C1)CN2C1CC1	REAL000000135121	1	45	-1.0	-54.75	362.15	3.91	-50.83
O=C([O-])COCCOCCNC(=O)C(F)(F)OC1=CC=CC=C1	REAL000000135122	0	39	-1.0	-55.76	348.54	5.25	-50.51
O=C([O-])COCCOCCNC(=O)[C@H]1C[C@H](N2C=NN=C2)C1	REAL000000135123	0	41	-1.0	-60.61	350.24	6.23	-54.38
NC1=C(Br)C=NC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000135124	0	36	-1.0	-53.26	330.33	1.64	-51.61
CN1C(Br)=CN=C1C(=O)NCCOCCOCC(=O)[O-]	REAL000000135125	0	35	-1.0	-53.48	327.80	3.46	-50.02
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL000000135126	0	42	-1.0	-54.74	374.99	7.08	-47.66
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1	REAL000000135127	0	45	-1.0	-55.09	397.00	7.57	-47.52
O=C([O-])COCCOCCNC(=O)[C@@H]1C[C@H]1C1=CC=CC(Br)=C1	REAL000000135128	0	42	-1.0	-55.84	379.56	7.19	-48.66
O=C([O-])COCCOCCNC(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL000000135129	0	35	-1.0	-53.06	340.73	4.68	-48.38
O=C([O-])C1CC12CCC(C(=O)NC(CC1CC1)C1=CC=CC=N1)C2	REAL000000135130	0	47	-1.0	-59.81	377.40	10.00	-49.81
O=C([O-])C1(C(=O)N2CCC(N3CC(=O)NC3=O)CC2)CNCCO1	REAL000000135131	1	43	-1.0	-66.31	334.14	0.17	-66.13
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O=C([O-])C1(C(=O)N2CCCC(C(F)(F)F)CC2)CNCCO1	REAL000000135134	1	40	-1.0	-49.27	299.73	4.00	-45.27
O=C([O-])C1CC12CCC(C(=O)N1CCCC(C(F)(F)F)CC1)C2	REAL000000135135	0	44	-1.0	-56.20	339.17	9.98	-46.21
O=C([O-])C1CC12CCC(C(=O)N[C@@H]1C[C@@H]3CC[C@@]1(CO)C3)C2	REAL000000135139	0	46	-1.0	-58.89	347.32	6.04	-52.86
O=C([O-])C1(C(=O)NCC2CCOC3=CC=C(Br)C=C32)CNCCO1	REAL000000135142	1	42	-1.0	-50.16	352.97	3.49	-46.66
CC1CC(CNC(=O)C2(C(=O)[O-])CNCCO2)CCS1(=O)=O	REAL000000135145	1	43	-1.0	-56.23	338.14	-0.62	-56.86
CC1CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CCS1(=O)=O	REAL000000135147	0	47	-1.0	-55.61	365.81	5.05	-50.57
O=C([O-])C1(C(=O)NCC2(C(F)(F)F)CCCCC2)CNCCO1	REAL000000135148	1	43	-1.0	-48.77	328.86	3.68	-45.09
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O=C([O-])C1CC12CCC(C(=O)NCC1=NOC(C3CCCC3)=C1)C2	REAL000000135152	0	47	-1.0	-59.00	376.15	8.92	-50.08
CN1C=NC2=CC(NC(=O)C3(C(=O)[O-])CNCCO3)=CC=C2C1=O	REAL000000135153	1	39	-1.0	-58.13	324.03	2.88	-55.25
CN1C=NC2=CC(NC(=O)C3CCC4(CC4C(=O)[O-])C3)=CC=C2C1=O	REAL000000135155	0	43	-1.0	-65.68	354.47	8.72	-56.96
CC1=NC=C2C(=C1)C=CC=C2NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135156	0	43	-1.0	-49.34	344.67	9.14	-40.20
O=C([O-])C1CC12CCC(C(=O)NC1=CNN=C1C1=CN=CC=N1)C2	REAL000000135157	0	40	-1.0	-49.29	333.02	4.74	-44.55
O=C([O-])C1CC12CCC(C(=O)N[C@@H]1COC[C@@H]1N1C=CN=C1)C2	REAL000000135158	0	43	-1.0	-55.05	342.44	7.49	-47.55
O=C([O-])C1(C(=O)N[C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)CNCCO1	REAL000000135161	1	52	-1.0	-53.91	387.69	6.68	-47.23
O=C([O-])C1CC12CCC(C(=O)N[C@@H]1[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]31)C2	REAL000000135164	0	56	-1.0	-56.38	428.36	12.06	-44.32
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CCOC(=O)C1=CCCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000135232	1	41	-1.0	-46.37	323.97	3.72	-42.64
CCOC(=O)C1=CCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000135233	0	45	-1.0	-58.84	356.51	9.51	-49.34
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CCOC(=O)C1(CCNC(=O)C2(C(=O)[O-])CNCCO2)CCC1	REAL000000135236	1	46	-1.0	-54.69	365.04	3.52	-51.17
CCOC(=O)C1(CCNC(=O)C2CCC3(CC3C(=O)[O-])C2)CCC1	REAL000000135238	0	50	-1.0	-64.25	395.10	9.26	-54.99
COC(=O)C1=CC=C(CNC(=O)C2(C(=O)[O-])CNCCO2)C=C1C	REAL000000135239	1	43	-1.0	-49.70	354.66	3.57	-46.14
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COC(=O)C1=CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000135248	0	42	-1.0	-57.05	335.93	8.68	-48.37
CC1=CC=C(F)C2=C1CCN(C(=O)C1(C(=O)[O-])CNCCO1)C2	REAL000000135249	1	41	-1.0	-48.07	316.43	5.00	-43.07
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COC(=O)C(CCCCNC(=O)C1(C(=O)[O-])CNCCO1)CC(F)(F)F	REAL000000135251	1	48	-1.0	-53.10	394.35	3.98	-49.12
COC(=O)C(CCCCNC(=O)C1CCC2(CC2C(=O)[O-])C1)CC(F)(F)F	REAL000000135254	0	52	-1.0	-62.07	424.58	9.71	-52.35
COC(=O)C12CCC(CC1NC(=O)C1(C(=O)[O-])CNCCO1)C2	REAL000000135255	1	44	-1.0	-54.17	337.70	3.72	-50.45
COC(=O)C12CCC(CC1NC(=O)C1CCC3(CC3C(=O)[O-])C1)C2	REAL000000135256	0	48	-1.0	-54.17	368.37	9.60	-44.57
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CC(F)(F)C1(CCNC(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL000000135262	1	40	-1.0	-49.86	320.54	2.79	-47.07
CC(F)(F)C1(CCNC(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000135263	0	44	-1.0	-61.56	354.15	8.62	-52.94
NC(=O)C12CC(CNC(=O)C3(C(=O)[O-])CNCCO3)(C1)OC2	REAL000000135264	1	40	-1.0	-55.83	327.38	-3.33	-59.16
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CSCC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C(C)(C)C	REAL000000135266	0	47	-1.0	-63.18	364.68	9.13	-54.05
CCOC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1(C(=O)[O-])CNCCO1	REAL000000135267	1	47	-1.0	-59.84	354.27	4.64	-55.20
CCOC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135269	0	51	-1.0	-52.25	384.38	10.36	-41.89
CCCC1=NC=CN1C1CCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000135273	0	54	-1.0	-49.31	410.36	11.59	-37.72
O=C([O-])C1CC12CCC(C(=O)NCCC13CCC(CC1)C3)C2	REAL000000135274	0	48	-1.0	-46.63	357.36	9.24	-37.38
O=C([O-])C1(C(=O)NCC2(CF)CC23CCOCC3)CNCCO1	REAL000000135275	1	45	-1.0	-48.58	342.82	2.21	-46.37
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CC(C)(C)C1CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000135285	0	50	-1.0	-46.41	372.72	9.30	-37.11
CC1(C)CC(CCNC(=O)C2(C(=O)[O-])CNCCO2)CO1	REAL000000135286	1	44	-1.0	-50.23	342.66	1.70	-48.54
CC1(C)CC(CCNC(=O)C2CCC3(CC3C(=O)[O-])C2)CO1	REAL000000135287	0	48	-1.0	-60.93	371.00	7.40	-53.53
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NC(=O)CC1COC(CNC(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000135294	1	42	-1.0	-61.53	334.41	-2.96	-64.49
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CCCN(C(=O)C1CCC2(CC2C(=O)[O-])C1)C(C)C1=CC=CC=C1	REAL000000135296	0	50	-1.0	-58.02	379.67	12.31	-45.71
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N[C@@H](CCC(=O)[O-])C(=O)NC1=CN(C2CCS(=O)(=O)C2)N=C1	REAL000000135298	1	39	-1.0	-59.22	333.72	-0.95	-60.18
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O=C([O-])C1(C(=O)N2CCOC(C3=NOC(C4CCCC4)=N3)C2)CNCCO1	REAL000000135301	1	50	-1.0	-50.84	384.28	1.60	-49.25
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O=C([O-])C1(C(=O)NCCCNS(=O)(=O)C2CC2)CNCCO1	REAL000000135305	1	42	-1.0	-52.90	352.90	-1.98	-54.88
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CCN(CC1CCOCC1)C(=O)C1(C(=O)[O-])CNCCO1	REAL000000135308	1	44	-1.0	-49.15	317.26	2.82	-46.33
CCN(CC1CCOCC1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135309	0	48	-1.0	-57.99	356.77	8.73	-49.26
O=C([O-])C1CC12CCC(C(=O)NC1(CC3=CC=CC(Cl)=C3)CCOC1)C2	REAL000000135312	0	49	-1.0	-62.08	395.10	9.36	-52.72
N#CC1=CN(C2=CC=C(NC(=O)C3(C(=O)[O-])CNCCO3)C=C2)N=C1	REAL000000135313	1	39	-1.0	-55.59	337.43	3.85	-51.74
N#CC1=CN(C2=CC=C(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C=C2)N=C1	REAL000000135315	0	43	-1.0	-60.17	367.90	9.69	-50.49
COC(=O)C1(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL000000135318	0	48	-1.0	-58.84	380.30	10.60	-48.24
O=C([O-])C1(C(=O)N2CCCC(C(=O)N3CC4CCC3C4)C2)CNCCO1	REAL000000135319	1	52	-1.0	-52.93	380.29	5.00	-47.94
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CC(C)OC1=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=CC(C(F)(F)F)=C1	REAL000000135323	1	44	-1.0	-46.53	366.38	4.06	-42.47
CC(C)OC1=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=CC(C(F)(F)F)=C1	REAL000000135326	0	48	-1.0	-53.86	394.06	9.81	-44.05
CC(C)C1=CC=C(NC(=O)C2(C(=O)[O-])CNCCO2)C=C1C(F)(F)F	REAL000000135327	1	43	-1.0	-47.14	349.16	4.88	-42.26
CC(C)C1=CC=C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1C(F)(F)F	REAL000000135330	0	47	-1.0	-52.01	379.05	10.69	-41.32
CC1=CC=C2C(CC(C)(C)NC(=O)C3CCC4(CC4C(=O)[O-])C3)=CNC2=C1	REAL000000135333	0	54	-1.0	-61.79	411.08	10.36	-51.43
CC(C)C1=CC=C2OCCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)C2=C1	REAL000000135335	0	49	-1.0	-59.18	372.89	10.61	-48.57
CC1=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=C(Cl)C=C1C1CC1	REAL000000135338	1	41	-1.0	-50.49	339.63	5.47	-45.02
CC1=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=C(Cl)C=C1C1CC1	REAL000000135340	0	45	-1.0	-46.28	366.00	11.17	-35.12
CC1=CC=C(C(C)C)C=C1NC(=O)C1(C(=O)[O-])CNCCO1	REAL000000135341	1	43	-1.0	-51.44	336.64	5.02	-46.42
CC1=CC=C(C(C)C)C=C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135342	0	47	-1.0	-49.66	363.78	10.75	-38.91
COC(=O)CN1C=CC2=CC(NC(=O)C3(C(=O)[O-])CNCCO3)=CC=C21	REAL000000135343	1	44	-1.0	-60.49	368.34	5.09	-55.40
COC(=O)CN1C=CC2=CC(NC(=O)C3CCC4(CC4C(=O)[O-])C3)=CC=C21	REAL000000135346	0	48	-1.0	-70.78	398.13	10.90	-59.88
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CCCN(C(=O)C1CCC2(CC2C(=O)[O-])C1)C1=NC=CS1	REAL000000135352	0	40	-1.0	-55.76	328.78	10.51	-45.25
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NC(=O)C1=CC(Cl)=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=C1	REAL000000135359	1	35	-1.0	-57.57	307.18	-0.56	-58.12
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CC(C)C1=CC=C(O)C(NC(=O)C2(C(=O)[O-])CNCCO2)=C1	REAL000000135361	1	41	-1.0	-51.48	326.35	1.33	-50.15
CC(C)C1=CC=C(O)C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL000000135362	0	45	-1.0	-48.08	355.20	7.12	-40.95
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CC1=NC(C2=CC=C(NC(=O)C3(C(=O)[O-])CNCCO3)C=C2)=CO1	REAL000000135373	1	40	-1.0	-52.85	334.27	1.25	-51.60
CC1=NC(C2=CC=C(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C=C2)=CO1	REAL000000135375	0	44	-1.0	-60.76	364.73	7.08	-53.69
CCOC(=O)N1CCCC2=CC=C(NC(=O)C3(C(=O)[O-])CNCCO3)C=C21	REAL000000135377	1	49	-1.0	-57.27	382.68	4.30	-52.97
CCOC(=O)N1CCCC2=CC=C(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C=C21	REAL000000135380	0	53	-1.0	-53.70	412.57	10.13	-43.57
CC1(C)CCCCC1(C)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135381	0	50	-1.0	-56.42	349.66	9.50	-46.92
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CCCCS(=O)(=O)N1CCC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000135385	0	55	-1.0	-63.66	434.91	6.74	-56.91
C[C@H](NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=CC=C1F	REAL000000135386	0	41	-1.0	-53.93	333.56	9.00	-44.93
N#CC1=CC=C([C@H]2C[C@H](NC(=O)C3(C(=O)[O-])CNCCO3)C2)C=C1	REAL000000135387	1	42	-1.0	-51.37	348.38	4.73	-46.64
N#CC1=CC=C([C@H]2C[C@H](NC(=O)C3CCC4(CC4C(=O)[O-])C3)C2)C=C1	REAL000000135389	0	46	-1.0	-56.59	377.39	10.42	-46.16
CCOC(=O)C(F)(CNC(=O)C1(C(=O)[O-])CNCCO1)C(C)C	REAL000000135390	1	45	-1.0	-54.90	358.66	3.10	-51.81
CCOC(=O)C(F)(CNC(=O)C1CCC2(CC2C(=O)[O-])C1)C(C)C	REAL000000135392	0	49	-1.0	-61.36	384.75	8.77	-52.59
CC(C)(C)C1(CO)CCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000135394	1	47	-1.0	-54.61	331.35	1.38	-53.23
CC(C)(C)C1(CO)CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000135395	0	51	-1.0	-51.39	365.03	6.56	-44.83
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O=C([O-])C1(C(=O)NCC2=NC(C3=CC=C(F)C=C3)=CS2)CNCCO1	REAL000000135398	1	40	-1.0	-49.24	353.33	3.21	-46.03
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O=C([O-])C1CC12CCC(C(=O)NC(C1=CC(Cl)=CC=C1Cl)C1CC1)C2	REAL000000135404	0	45	-1.0	-55.12	389.11	12.19	-42.93
O=C([O-])C1(C(=O)N2CCN([C@@H]3COC[C@H]3O)CC2)CNCCO1	REAL000000135405	1	45	-1.0	-50.83	331.83	-3.60	-54.43
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O=C([O-])C1CC12CCC(C(=O)N1CC(CO)OC(C(F)(F)F)C1)C2	REAL000000135411	0	43	-1.0	-47.47	346.17	4.56	-42.91
O=C([O-])C1CC12CCC(C(=O)N1CC[C@@H]3C(=O)OC[C@@]31CO)C2	REAL000000135412	0	43	-1.0	-63.55	334.48	6.72	-56.83
COC(=O)[C@@H]1[C@@H](C)OCCN1C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135413	0	45	-1.0	-51.20	345.20	7.75	-43.45
O=C([O-])C1(C(=O)NC2=CN=C3NC(=O)COC3=C2)CNCCO1	REAL000000135414	1	36	-1.0	-49.31	303.57	-1.48	-50.79
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CC1=CC=C(F)C(C2CCCN2C(=O)C2CCC3(CC3C(=O)[O-])C2)=C1F	REAL000000135418	0	48	-1.0	-49.87	376.39	12.08	-37.79
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CC1(C)CC2=CC=CC(CNC(=O)C3(C(=O)[O-])CNCCO3)=C2O1	REAL000000135422	1	45	-1.0	-53.28	361.14	3.61	-49.68
CC1(C)CC2=CC=CC(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)=C2O1	REAL000000135424	0	49	-1.0	-58.84	390.93	9.33	-49.51
CC1=CC=CC=C1CCCNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000135425	1	43	-1.0	-49.76	342.19	4.41	-45.35
CC1=CC=CC=C1CCCNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135426	0	47	-1.0	-57.69	372.08	10.14	-47.55
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CC1NC(=O)OC12CCN(C(=O)C1(C(=O)[O-])CNCCO1)C2	REAL000000135431	1	40	-1.0	-66.41	307.46	-0.93	-67.33
CC1NC(=O)OC12CCN(C(=O)C1CCC3(CC3C(=O)[O-])C1)C2	REAL000000135432	0	44	-1.0	-65.72	341.17	4.74	-60.98
CC(C)(C)[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CNCCO2)C(=O)N1	REAL000000135433	1	44	-1.0	-62.47	336.76	-0.03	-62.50
CC(C)(C)[C@@H]1C[C@H](NC(=O)C2CCC3(CC3C(=O)[O-])C2)C(=O)N1	REAL000000135434	0	48	-1.0	-72.56	368.76	5.71	-66.85
NC1=NC(N2CCC(NC(=O)C3(C(=O)[O-])CNCCO3)CC2)=NN1	REAL000000135435	1	44	-1.0	-54.46	349.97	1.76	-52.69
NC1=NC(N2CCC(NC(=O)C3CCC4(CC4C(=O)[O-])C3)CC2)=NN1	REAL000000135437	0	48	-1.0	-65.08	378.33	7.48	-57.60
NC1=NNC(N2CCC(NC(=O)C3CCC4(CC4C(=O)[O-])C3)CC2)=N1	REAL000000135437	1	48	-1.0	-60.67	379.36	7.55	-53.12
O=C([O-])C1(C(=O)N2CCN(C(=O)CC3=CC=CC(F)=C3)CC2)CNCCO1	REAL000000135438	1	48	-1.0	-53.60	377.01	5.09	-48.51
O=C([O-])C1CC12CCC(C(=O)N1CCN(C(=O)CC3=CC=CC(F)=C3)CC1)C2	REAL000000135441	0	52	-1.0	-52.83	409.58	10.83	-42.01
CS(=O)(=O)C1=C2CN(C(=O)C3(C(=O)[O-])CNCCO3)CCN2N=C1	REAL000000135442	1	41	-1.0	-48.54	334.07	-1.29	-49.83
CS(=O)(=O)C1=C2CN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CCN2N=C1	REAL000000135445	0	45	-1.0	-60.64	365.47	4.43	-56.21
CC1=CC(CNC(=O)C2(C(=O)[O-])CNCCO2)=CN=C1Br	REAL000000135446	1	36	-1.0	-47.60	318.38	1.67	-45.94
CC1=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=CN=C1Br	REAL000000135449	0	40	-1.0	-56.34	348.28	7.39	-48.95
CC1=C(CNC(=O)C2(C(=O)[O-])CNCCO2)N=C(C2=CC=CC=C2)O1	REAL000000135450	1	43	-1.0	-49.24	359.11	1.53	-47.72
CC1=C(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)N=C(C2=CC=CC=C2)O1	REAL000000135453	0	47	-1.0	-61.49	391.00	7.29	-54.20
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CC(C)CC1=CC(CNC(=O)C2(C(=O)[O-])CNCCO2)=NO1	REAL000000135455	1	42	-1.0	-46.93	340.19	2.58	-44.35
CC(C)CC1=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=NO1	REAL000000135456	0	46	-1.0	-59.11	372.07	8.35	-50.76
COC(=O)C1=CC=CC([C@H]2C[C@H](NC(=O)C3(C(=O)[O-])CNCCO3)C2)=C1	REAL000000135457	1	47	-1.0	-55.68	382.35	4.99	-50.69
COC(=O)C1=CC=CC([C@H]2C[C@H](NC(=O)C3CCC4(CC4C(=O)[O-])C3)C2)=C1	REAL000000135460	0	51	-1.0	-56.13	410.09	10.65	-45.48
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000135461	1	47	-1.0	-44.97	350.90	2.75	-42.22
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000135464	0	51	-1.0	-56.46	389.74	8.53	-47.93
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O=C([O-])C1(C(=O)NCC2=CC=C(CC3=CC=CC=C3)C=C2)CNCCO1	REAL000000135466	1	47	-1.0	-51.08	386.62	6.81	-44.28
O=C([O-])C1CC12CCC(C(=O)NCC1=CC=C(CC3=CC=CC=C3)C=C1)C2	REAL000000135469	0	51	-1.0	-57.82	416.51	12.52	-45.30
CC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=NC=CC=C1F	REAL000000135470	0	40	-1.0	-59.81	333.25	7.24	-52.57
CC1=NC(NC(=O)C2(C(=O)[O-])CNCCO2)=C2C=CC=CC2=C1	REAL000000135471	1	39	-1.0	-57.17	318.51	4.84	-52.34
CC1=NC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=C2C=CC=CC2=C1	REAL000000135472	0	43	-1.0	-52.79	346.27	10.57	-42.23
O=C([O-])C1(C(=O)NCCNS(=O)(=O)C(F)F)CNCCO1	REAL000000135473	1	35	-1.0	-53.17	315.68	-4.07	-57.24
O=C([O-])C1CC12CCC(C(=O)NCCNS(=O)(=O)C(F)F)C2	REAL000000135475	0	39	-1.0	-66.39	345.56	1.65	-64.74
O=C([O-])C1(C(=O)N2CCC(OC3=CC=CC=N3)CC2)CNCCO1	REAL000000135478	1	44	-1.0	-53.13	343.07	2.57	-50.56
O=C([O-])C1CC12CCC(C(=O)N1CCC(OC3=CC=CC=N3)CC1)C2	REAL000000135480	0	48	-1.0	-63.02	373.92	8.25	-54.77
CCOC(=O)CC1CCCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000135481	1	46	-1.0	-54.69	349.11	4.44	-50.25
CCOC(=O)CC1CCCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000135483	0	50	-1.0	-50.18	382.52	10.32	-39.86
CCOC(=O)C1CC12CCN(C(=O)C1(C(=O)[O-])CNCCO1)CC2	REAL000000135484	1	47	-1.0	-57.48	358.34	5.09	-52.39
CCOC(=O)C1CC12CCN(C(=O)C1CCC3(CC3C(=O)[O-])C1)CC2	REAL000000135486	0	51	-1.0	-53.05	390.23	10.87	-42.18
O=C([O-])C1(C(=O)NCC2CCC3COCCC3C2)CNCCO1	REAL000000135487	1	48	-1.0	-50.74	351.66	2.49	-48.25
O=C([O-])C1CC12CCC(C(=O)NCC1CCC3COCCC3C1)C2	REAL000000135488	0	52	-1.0	-47.59	379.44	8.15	-39.45
CC1CC2CCCCC2N(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000135489	0	51	-1.0	-58.02	364.32	10.95	-47.07
O=C([O-])C1(C(=O)NC[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)CNCCO1	REAL000000135490	1	47	-1.0	-48.85	348.61	4.28	-44.57
O=C([O-])C1CC12CCC(C(=O)NC[C@H]1C3CCC(CC3)[C@@H]1C(F)(F)F)C2	REAL000000135493	0	51	-1.0	-49.49	378.33	9.99	-39.51
O=C([O-])C1(C(=O)NC2=CN=C3C=C(Br)C=CN23)CNCCO1	REAL000000135494	1	34	-1.0	-49.20	305.29	4.21	-44.99
O=C([O-])C1CC12CCC(C(=O)NC1=CN=C3C=C(Br)C=CN13)C2	REAL000000135497	0	38	-1.0	-50.40	333.06	9.95	-40.45
O=C([O-])C1CC12CCC(C(=O)NCC1CCCC3=NC=CN31)C2	REAL000000135499	0	45	-1.0	-52.10	347.76	8.73	-43.37
O=C([O-])C1(C(=O)N2CCC(C3=CC(F)=CC(F)=C3)CC2)CNCCO1	REAL000000135500	1	44	-1.0	-49.38	345.26	5.86	-43.52
O=C([O-])C1CC12CCC(C(=O)N1CCC(C3=CC(F)=CC(F)=C3)CC1)C2	REAL000000135503	0	48	-1.0	-59.06	380.04	11.76	-47.29
CCOC(=O)C1=C2CN(C(=O)C3(C(=O)[O-])CNCCO3)CCC2=NN1C	REAL000000135506	1	47	-1.0	-51.39	367.64	3.68	-47.70
CCOC(=O)C1=C2CN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CCC2=NN1C	REAL000000135509	0	51	-1.0	-61.92	402.59	9.55	-52.37
COC(=O)C1CN(C(=O)C2(C(=O)[O-])CNCCO2)CC(C)(C)O1	REAL000000135510	1	44	-1.0	-43.96	334.82	2.71	-41.25
COC(=O)C1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC(C)(C)O1	REAL000000135512	0	48	-1.0	-54.42	370.60	8.59	-45.83
O=C([O-])C1(C(=O)NCC2=CC(Br)=CC(Cl)=C2F)CNCCO1	REAL000000135513	1	34	-1.0	-50.61	326.97	3.52	-47.08
CC1=NN=C(CCCNC(=O)C2(C(=O)[O-])CNCCO2)N1C	REAL000000135516	1	42	-1.0	-55.70	342.22	2.77	-52.93
CC1=NN=C(CCCNC(=O)C2CCC3(CC3C(=O)[O-])C2)N1C	REAL000000135517	0	46	-1.0	-64.66	372.12	8.50	-56.16
CCCN(CC1=CC(F)=CC=C1F)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135520	0	47	-1.0	-58.78	376.42	11.87	-46.91
CC1=CC(C(F)F)=NC(C2(NC(=O)C3CCC4(CC4C(=O)[O-])C3)CCCC2)=N1	REAL000000135523	0	52	-1.0	-56.32	412.00	10.33	-45.99
CC1(C2=NC(C3=NC=CC=N3)=NO2)CCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000135524	1	47	-1.0	-60.35	377.89	1.40	-58.95
CC1(C2=NC(C3=NC=CC=N3)=NO2)CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000135527	0	51	-1.0	-68.88	413.80	7.18	-61.71
O=C([O-])C1(C(=O)N2CC3(CCC3)CC(F)(F)C2)CNCCO1	REAL000000135528	1	41	-1.0	-54.19	311.21	4.07	-50.12
O=C([O-])C1CC12CCC(C(=O)N1CC3(CCC3)CC(F)(F)C1)C2	REAL000000135529	0	45	-1.0	-61.42	343.86	9.90	-51.52
COC(=O)C1(C(F)F)CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL000000135530	1	43	-1.0	-51.54	333.57	3.52	-48.02
COC(=O)C1(C(F)F)CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000135533	0	47	-1.0	-58.87	367.34	9.27	-49.60
CC(F)(F)C1=CC=CC(CNC(=O)C2(C(=O)[O-])CNCCO2)=N1	REAL000000135534	1	39	-1.0	-46.78	330.95	2.25	-44.53
CC(F)(F)C1=CC=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=N1	REAL000000135536	0	43	-1.0	-58.93	362.83	8.03	-50.89
CP(C)(=O)C1CCN(C(=O)C2(C(=O)[O-])CNCCO2)CC1	REAL000000135537	1	43	-1.0	-59.92	335.79	2.03	-57.89
CP(C)(=O)C1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC1	REAL000000135538	0	47	-1.0	-67.29	366.13	7.66	-59.63
COC1=CC=CC(CC2(NC(=O)C3CCC4(CC4C(=O)[O-])C3)CC2)=C1	REAL000000135540	0	49	-1.0	-62.00	393.35	9.54	-52.45
COC1=C2NC=C(CCNC(=O)C3(C(=O)[O-])CNCCO3)C2=CC=C1	REAL000000135542	1	45	-1.0	-55.50	366.75	2.52	-52.98
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CCOC1=CC=C(C2(NC(=O)C3CCC4(CC4C(=O)[O-])C3)CCC2)C=C1	REAL000000135669	0	52	-1.0	-64.69	399.94	10.22	-54.46
CCOC1=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=CC(OCC)=C1	REAL000000135670	1	45	-1.0	-53.69	360.52	2.68	-51.01
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COC1(C(F)(F)CNC(=O)C2(C(=O)[O-])CNCCO2)CCCC1	REAL000000135695	1	44	-1.0	-47.52	337.09	1.56	-45.96
COC1(C(F)(F)CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CCCC1	REAL000000135697	0	48	-1.0	-56.33	367.47	7.31	-49.01
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COC(=O)C1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C(C)(C)C1	REAL000000135752	0	47	-1.0	-59.74	366.07	9.39	-50.35
COC(=O)[C@]12CCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)[C@H]1CCCC2	REAL000000135754	0	51	-1.0	-54.88	377.56	10.12	-44.77
CC1(C)CCC(NC(=O)C2(C(=O)[O-])CNCCO2)CC2=CC=CC=C21	REAL000000135755	1	50	-1.0	-54.59	364.91	5.34	-49.25
CC1(C)CCC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CC2=CC=CC=C21	REAL000000135758	0	54	-1.0	-66.49	392.05	10.99	-55.50
CCC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1CC2CCC1C2	REAL000000135759	0	51	-1.0	-46.35	369.11	10.13	-36.22
CC(C)C1=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=CC=C1C(F)(F)F	REAL000000135760	1	43	-1.0	-45.78	350.63	4.95	-40.83
CC(C)C1=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL000000135763	0	47	-1.0	-56.98	380.91	10.73	-46.25
O=C([O-])C1(C(=O)NC2=CC=C(C=CC(F)(F)F)C=C2)CNCCO1	REAL000000135764	1	38	-1.0	-50.64	328.36	4.51	-46.13
O=C([O-])C1CC12CCC(C(=O)NC1=CC=C(C=CC(F)(F)F)C=C1)C2	REAL000000135767	0	42	-1.0	-57.89	358.78	10.34	-47.54
CC(C)N1C=NC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL000000135769	0	44	-1.0	-61.95	357.22	8.66	-53.29
CC1=CC=C(NC(=O)C2(C(=O)[O-])CNCCO2)C=C1C(=O)NC1CC1	REAL000000135771	1	45	-1.0	-48.44	362.16	2.88	-45.56
CC1=CC=C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1C(=O)NC1CC1	REAL000000135774	0	49	-1.0	-51.98	390.27	8.65	-43.33
CC(COC1=CC=CC=C1)(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C(N)=O	REAL000000135777	0	49	-1.0	-68.29	392.71	5.39	-62.90
O=C([O-])C1CC12CCC(C(=O)NC1(C34CC5CC(CC(C5)C3)C4)CC1)C2	REAL000000135780	0	56	-1.0	-57.54	388.27	11.21	-46.33
NC(=O)C1CC2(CC(NC(=O)C3(C(=O)[O-])CNCCO3)C2)C1	REAL000000135781	1	42	-1.0	-56.19	333.21	-0.64	-56.83
NC(=O)C1CC2(CC(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C2)C1	REAL000000135782	0	46	-1.0	-60.17	365.64	5.04	-55.14
CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CNC(=O)C1(C(=O)[O-])CNCCO1	REAL000000135783	1	53	-1.0	-47.39	374.58	2.16	-45.22
CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135786	0	57	-1.0	-46.88	404.33	7.87	-39.01
O=C([O-])C1(C(=O)NN=C2CCC3=CC=CC=C32)CNCCO1	REAL000000135787	1	38	-1.0	-60.35	309.67	3.69	-56.67
O=C([O-])C1CC12CCC(C(=O)NN=C1CCC3=CC=CC=C31)C2	REAL000000135788	0	42	-1.0	-62.74	339.84	9.57	-53.17
CCOCC1=NC(C(C)NC(=O)C2(C(=O)[O-])CNCCO2)=NO1	REAL000000135789	1	42	-1.0	-52.75	351.11	-1.42	-54.17
CCOCC1=NC(C(C)NC(=O)C2CCC3(CC3C(=O)[O-])C2)=NO1	REAL000000135791	0	46	-1.0	-58.21	380.98	4.32	-53.88
O=C([O-])C1(C(=O)N2CCC(F)(C(F)(F)F)C2)CNCCO1	REAL000000135792	1	34	-1.0	-45.03	282.51	2.55	-42.48
O=C([O-])C1CC12CCC(C(=O)N1CCC(F)(C(F)(F)F)C1)C2	REAL000000135793	0	38	-1.0	-49.73	317.60	8.27	-41.46
CC1(C)NC(=O)OC12CCN(C(=O)C1(C(=O)[O-])CNCCO1)C2	REAL000000135794	1	43	-1.0	-53.71	322.80	-0.41	-54.12
CC1(C)NC(=O)OC12CCN(C(=O)C1CCC3(CC3C(=O)[O-])C1)C2	REAL000000135795	0	47	-1.0	-61.47	355.61	5.25	-56.23
CCOC(=O)[C@]12CCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)[C@H]1CCCC2	REAL000000135798	0	54	-1.0	-54.66	400.09	11.04	-43.62
COC(=O)C1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C2(C1)CCOCC2	REAL000000135801	0	52	-1.0	-47.99	382.94	9.01	-38.98
CCOC(=O)[C@]12CCCC[C@@H]1N(C(=O)C1CCC3(CC3C(=O)[O-])C1)CCC2	REAL000000135804	0	57	-1.0	-52.96	406.84	12.05	-40.91
O=C([O-])C1(C(=O)NC2C[C@@H]3CSC[C@H]3C2)CNCCO1	REAL000000135805	1	39	-1.0	-48.40	310.93	2.91	-45.49
O=C([O-])C1CC12CCC(C(=O)NC1C[C@@H]3CSC[C@H]3C1)C2	REAL000000135806	0	43	-1.0	-49.46	341.03	8.67	-40.80
CCC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1CCC(F)(F)CC1	REAL000000135808	0	50	-1.0	-59.82	378.02	10.04	-49.78
C=C(C)C1=CC(NC(=O)C2(C(=O)[O-])CNCCO2)=CC=C1C(F)(F)F	REAL000000135809	1	41	-1.0	-48.79	346.03	4.84	-43.95
C=C(C)C1=CC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL000000135812	0	45	-1.0	-58.23	376.14	10.64	-47.59
O=C([O-])C1CC12CCC(C(=O)N1CCCC1C1=C(F)C=CC(Cl)=C1F)C2	REAL000000135815	0	45	-1.0	-48.99	372.30	11.95	-37.03
O=C([O-])C1CC12CCC(C(=O)N1CCCC13CCS(=O)(=O)C3)C2	REAL000000135817	0	45	-1.0	-58.32	343.04	6.63	-51.70
CN1C2=CC=NC=C2N=C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135820	0	40	-1.0	-65.88	330.79	9.43	-56.45
O=C([O-])C1(C(=O)N2CC=CCC3(CCOCC3)C2)CNCCO1	REAL000000135825	1	46	-1.0	-47.97	315.23	3.34	-44.62
O=C([O-])C1CC12CCC(C(=O)N1CC=CCC3(CCOCC3)C1)C2	REAL000000135826	0	50	-1.0	-58.48	358.57	9.33	-49.15
O=C([O-])C1(C(=O)NC2CCCC3=CC(O)=CC=C32)CNCCO1	REAL000000135830	1	42	-1.0	-50.01	321.18	1.12	-48.89
O=C([O-])C1CC12CCC(C(=O)NC1CCCC3=CC(O)=CC=C31)C2	REAL000000135831	0	46	-1.0	-55.68	355.85	6.90	-48.78
CSCC(NC(=O)C1(C(=O)[O-])CNCCO1)C1=CC=CC=C1Cl	REAL000000135832	1	41	-1.0	-55.92	356.55	5.26	-50.66
CSCC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL000000135835	0	45	-1.0	-63.03	388.59	11.08	-51.95
COC(=O)C1CC2(C1)CCCN2C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135836	0	48	-1.0	-58.46	366.90	9.50	-48.96
COC(=O)C[C@@H]1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)[C@H]2COC[C@@H]2O1	REAL000000135839	0	50	-1.0	-52.81	384.77	7.03	-45.77
COC(=O)C1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C2(CCC2)CO1	REAL000000135842	0	49	-1.0	-61.66	375.65	8.71	-52.95
O=C([O-])C1CC12CCC(C(=O)N1CCC3(CCOCC3)C13CC3)C2	REAL000000135845	0	50	-1.0	-47.97	359.35	8.66	-39.31
O=C([O-])C1CC12CCC(C(=O)N1C[C@@H]3CCC[C@@H]3C13CC3)C2	REAL000000135846	0	46	-1.0	-62.49	345.00	10.31	-52.18
NS(=O)(=O)NCCNC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135847	0	38	-1.0	-66.69	325.73	-1.36	-68.05
O=C([O-])C1(C(=O)N2CCC3=CC=C(O)C=C3CC2)CNCCO1	REAL000000135848	1	42	-1.0	-50.04	316.40	2.14	-47.90
O=C([O-])C1CC12CCC(C(=O)N1CCC3=CC=C(O)C=C3CC1)C2	REAL000000135849	0	46	-1.0	-49.63	352.69	8.05	-41.58
O=C([O-])C1(C(=O)NCC2(C3=CC=CC=N3)CCC2)CNCCO1	REAL000000135850	1	43	-1.0	-51.35	339.96	3.32	-48.03
O=C([O-])C1CC12CCC(C(=O)NCC1(C3=CC=CC=N3)CCC1)C2	REAL000000135851	0	47	-1.0	-50.64	367.72	8.99	-41.65
O=C([O-])C1(C(=O)N2CCC3=C(C=NNC3=O)C2)CNCCO1	REAL000000135852	1	37	-1.0	-53.96	292.36	-0.02	-53.97
O=C([O-])C1CC12CCC(C(=O)N1CCC3=C(C=NNC3=O)C1)C2	REAL000000135853	0	41	-1.0	-62.67	326.60	5.84	-56.83
CN(C(=O)C1(C(=O)[O-])CNCCO1)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL000000135854	1	50	-1.0	-52.18	366.03	7.05	-45.13
CN(C(=O)C1CCC2(CC2C(=O)[O-])C1)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL000000135857	0	54	-1.0	-52.02	402.96	12.86	-39.16
CC1(C)CC1(CC1=CC=CC=C1)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135859	0	51	-1.0	-54.95	393.27	11.28	-43.66
O=C([O-])C1(C(=O)NCC2=CC=CN=C2OC(F)F)CNCCO1	REAL000000135860	1	37	-1.0	-54.13	318.96	-0.22	-54.35
O=C([O-])C1CC12CCC(C(=O)NCC1=CC=CN=C1OC(F)F)C2	REAL000000135862	0	41	-1.0	-60.14	350.84	5.55	-54.58
COCC1CCOCCN1C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135863	0	46	-1.0	-46.29	338.26	7.84	-38.44
O=C([O-])C1CC12CCC(C(=O)NC1(COC3=CC=CC=C3)CC1)C2	REAL000000135864	0	46	-1.0	-57.51	375.96	9.09	-48.42
CC1=C(NC(=O)C2(C(=O)[O-])CNCCO2)C=CC=C1S(C)(=O)=O	REAL000000135865	1	40	-1.0	-56.58	325.24	0.50	-56.08
CC1=C(NC(=O)[C@@H](N)CCC(=O)[O-])C=CC=C1S(C)(=O)=O	REAL000000135866	1	38	-1.0	-55.22	317.16	1.05	-54.17
CC1=C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C=CC=C1S(C)(=O)=O	REAL000000135868	0	44	-1.0	-55.28	355.06	6.30	-48.98
COC(=O)[C@@]1(CNC(=O)C2(C(=O)[O-])CNCCO2)C[C@@H]1C(F)(F)F	REAL000000135869	1	40	-1.0	-52.00	331.65	3.45	-48.55
COC(=O)[C@@]1(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C[C@@H]1C(F)(F)F	REAL000000135872	0	44	-1.0	-60.04	371.30	7.97	-52.07
COC(=O)C1(CNC(=O)C2(C(=O)[O-])CNCCO2)CCCO1	REAL000000135873	1	41	-1.0	-51.70	328.71	0.90	-50.80
COC(=O)C1(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CCCO1	REAL000000135874	0	45	-1.0	-58.45	361.08	6.70	-51.76
CCC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1CCC(C(F)(F)F)CC1	REAL000000135877	0	53	-1.0	-51.70	395.49	10.53	-41.16
O=C([O-])C1CC12CCC(C(=O)N1CCOCCC13CCC3)C2	REAL000000135879	0	46	-1.0	-57.33	329.12	8.26	-49.07
CCOC(=O)C1=NOC2=C1CN(C(=O)C1(C(=O)[O-])CNCCO1)CC2	REAL000000135880	1	43	-1.0	-45.46	346.42	3.52	-41.94
CCOC(=O)C1=NOC2=C1CN(C(=O)C1CCC3(CC3C(=O)[O-])C1)CC2	REAL000000135883	0	47	-1.0	-55.28	380.97	9.39	-45.88
COC(=O)C1=C(C2CCCN(C(=O)C3(C(=O)[O-])CNCCO3)C2)OC=N1	REAL000000135884	1	46	-1.0	-61.30	363.51	1.15	-60.15
COC(=O)C1=C(C2CCCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)C2)OC=N1	REAL000000135887	0	50	-1.0	-55.19	396.02	6.97	-48.22
O=C([O-])C1CC12CCC(C(=O)NC1(C3=CC=CC=C3Br)CC1)C2	REAL000000135890	0	42	-1.0	-47.00	355.17	9.68	-37.32
CC1=CC=C2C(=C1)N(C(=O)C1CCC3(CC3C(=O)[O-])C1)CCN2C1CC1	REAL000000135893	0	51	-1.0	-57.08	381.02	10.43	-46.65
O=C([O-])C1(C(=O)NC2=CC=C(N3CCOCC3)C=C2Cl)CNCCO1	REAL000000135894	1	44	-1.0	-47.83	353.94	1.59	-46.24
O=C([O-])C1CC12CCC(C(=O)NC1=CC=C(N3CCOCC3)C=C1Cl)C2	REAL000000135897	0	48	-1.0	-48.70	384.79	7.45	-41.25
CC1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C2=CN=CC=C21	REAL000000135898	0	41	-1.0	-58.29	326.48	8.94	-49.35
CC1=CC=C2C=C(NC(=O)C3(C(=O)[O-])CNCCO3)C=CC2=N1	REAL000000135899	1	39	-1.0	-51.05	320.90	3.18	-47.87
CC1=CC=C2C=C(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C=CC2=N1	REAL000000135900	0	43	-1.0	-60.79	350.73	8.98	-51.80
COC(=O)C12CCC(CNC(=O)C3(C(=O)[O-])CNCCO3)(C1)OC2	REAL000000135901	1	45	-1.0	-51.80	355.74	1.38	-50.43
COC(=O)C12CCC(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)(C1)OC2	REAL000000135904	0	49	-1.0	-51.64	388.68	6.98	-44.66
CC(NC(=O)C1(C(=O)[O-])CNCCO1)C1=NC=C(C2=CC=C(F)C=C2)O1	REAL000000135905	1	43	-1.0	-50.25	365.52	1.84	-48.41
CC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=NC=C(C2=CC=C(F)C=C2)O1	REAL000000135908	0	47	-1.0	-56.62	395.42	7.56	-49.06
O=C([O-])C1CC12CCC(C(=O)N1CCOCCC13CCOCC3)C2	REAL000000135910	0	50	-1.0	-57.65	344.76	7.21	-50.44
O=C([O-])C1CC12CCC(C(=O)N1CCC[C@@]3(CO)CCCC[C@H]13)C2	REAL000000135911	0	52	-1.0	-54.81	362.68	7.77	-47.03
O=C([O-])C1CC12CCC(C(=O)N1CCC[C@@]3(CO)CCC[C@@H]13)C2	REAL000000135912	0	49	-1.0	-48.43	356.46	7.03	-41.40
CC(CCC(F)(F)F)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135913	0	40	-1.0	-58.56	333.16	8.00	-50.56
CSC1=NC=C(CCNC(=O)C2(C(=O)[O-])CNCCO2)C=N1	REAL000000135914	1	39	-1.0	-51.85	338.00	1.70	-50.16
CSC1=NC=C(CCNC(=O)C2CCC3(CC3C(=O)[O-])C2)C=N1	REAL000000135915	0	43	-1.0	-63.19	367.87	7.42	-55.77
CN(CCC(O)C1=CC=CS1)C(=O)C1(C(=O)[O-])CNCCO1	REAL000000135916	1	41	-1.0	-49.97	339.97	1.87	-48.10
CN(CCC(O)C1=CC=CS1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135918	0	45	-1.0	-56.44	372.83	7.57	-48.87
CC(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135921	0	47	-1.0	-48.36	381.58	11.10	-37.27
O=C([O-])C1CC12CCC(C(=O)NC1(C3=NC=CC(C(F)(F)F)=N3)CC1)C2	REAL000000135924	0	43	-1.0	-54.28	371.13	8.00	-46.28
O=C([O-])C1CC12CCC(C(=O)N1C3CCCC1C(=O)NC3)C2	REAL000000135925	0	43	-1.0	-60.87	320.24	6.08	-54.79
CC1(C)CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C(C)(C)C1O	REAL000000135926	0	48	-1.0	-58.50	353.11	6.78	-51.72
COC(=O)C1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C(C)(C)CO1	REAL000000135928	0	48	-1.0	-56.32	368.44	8.49	-47.83
O=C([O-])C1CC12CCC(C(=O)N1CC(CO)OCC13CCC3)C2	REAL000000135929	0	47	-1.0	-63.50	350.55	4.79	-58.71
CC1=CC=C2C(=C1)N(C)CCN2C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL000000135930	0	47	-1.0	-56.33	357.56	9.40	-46.93
COC1=CC=CC(OC)=C1C1CCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000135931	1	49	-1.0	-56.16	368.92	4.16	-52.00
COC1=CC=CC(OC)=C1C1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL000000135934	0	53	-1.0	-50.47	399.73	9.76	-40.71
COC(=O)C12COC(CNC(=O)C3(C(=O)[O-])CNCCO3)(C1)CCC2	REAL000000135935	1	48	-1.0	-51.54	369.71	1.96	-49.58
COC(=O)C12COC(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)(C1)CCC2	REAL000000135938	0	52	-1.0	-59.40	399.61	7.69	-51.71
COC(=O)CC1COC(CNC(=O)C2(C(=O)[O-])CNCCO2)C1	REAL000000135939	1	44	-1.0	-58.31	352.20	0.94	-57.38
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