Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CN(C1=NC(=O)C(O1)c1ccccc1)C	0.076	0.279	0.796	0.661	-0.001	0.09	0.183	0.589	0.226	0.028	0.105
Compound_2	CC1=CCC/C(=C\CC[C@@](C=C[C@@H](CC1)C(C)C)(C)O)/C	0.838	0.182	0.123	0.514	0.488	0.139	0.723	0.789	0.462	0.959	0.472
Compound_3	Cc1ccc(c(c1)O[Si](C)(C)C)C(C)C	0.4	0.192	0.296	0.613	0.125	0.339	0.099	0.116	0.87	0.993	0.373
Compound_4	N#C[C@H]1C[C@@H]2C[C@H]1C(=NOC(=O)NC)[C@H]2Cl	0.668	0.465	0.067	0.455	0.805	0.65	0.083	0.982	0.463	0.987	0.79
Compound_5	CC(=CCCC(=CCOC(=O)C)C)CCC=C(C)C	0.85	0.042	0.711	0.574	0.515	0.093	0.997	0.984	0.91	0.999	0.935
Compound_6	CC(=O)CCC([C@@H]1O[C@H]1C(O)(C)C)C(C)C	0.741	0.276	0.072	0.463	0.493	0.183	0.832	0.107	0.383	0.326	0.525
Compound_7	CN(CC(CN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C)C	0.052	0.872	0.018	0.238	0.906	0.179	0.962	0.286	0.358	0.664	0.791
Compound_8	O=C(c1ccc(nc1)O[Si](C)(C)C)O[Si](C)(C)C	0.331	0.32	0.593	0.57	0.06	0.604	0.016	0.158	0.274	0.046	0.16
Compound_9	Cc1nc2c(n1C)c(=O)n(c(=O)n2C)C	0.146	0.217	0.065	0.297	0.214	0.166	0.001	0.028	0.766	0.024	0.087
Compound_10	CC([C@@H]1CC[C@H]([C@]23[C@H]1[C@H]2C(=CC3)C)C)C	0.998	0.543	0.379	0.591	0.739	0.096	0.409	0.93	0.632	0.996	0.665
Compound_11	C=CCC(=O)C1C(=CCCC1(C)C)C	0.99	0.198	0.567	0.617	0.267	0.038	0.216	0.992	0.287	0.998	0.84
Compound_12	C[C@H]1C[C@@H](OC(=O)c2ccccc2)CC(N1)(C)C	0.031	0.628	0.172	0.365	0.003	0.067	0.001	0.017	0.152	0.194	0.056
Compound_13	OCCN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(Cl)cc2	0.032	0.395	0.179	0.241	0.65	0.098	0.008	0.044	0.145	0.226	0.087
Compound_14	ClC1=C(Cl)C2(C(C1(Cl)C1C2CCC2C(CC1)C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl	0.988	0.691	0.657	0.646	0.864	0.647	0.983	0.597	0.226	1.0	0.752
Compound_15	ClCCCCCn1nc(c2c1cccc2)C(=O)N[C@H](C(=O)N)C(C)C	0.505	0.588	0.021	0.435	0.691	0.621	0.891	0.924	0.242	0.408	0.676
Compound_16	CN1CCCCC(C1)n1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.776	0.762	0.588	0.354	0.632	0.379	0.995	0.012	0.636	0.213	0.619
Compound_17	CC(Cc1ccccc1C)N	0.098	0.136	0.687	0.412	0.005	0.039	0.003	0.093	0.585	0.245	0.029
Compound_18	COC=C([C@H]1C[C@@H]2N(C[C@H]1CC)CC[C@]1(C2=Nc2c1c(OC)ccc2)O)C(=O)OC	0.682	0.748	0.65	0.211	0.468	0.352	0.707	0.348	0.33	0.428	0.795
Compound_19	O[C@H]1CC[C@]2([C@H](C1)[C@@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C	0.584	0.738	0.021	0.235	0.458	0.72	0.017	0.112	0.277	0.104	0.215
Compound_20	OC1N=C(c2c(N=C1O)ccc(c2)N(=O)=O)c1ccccc1F	0.639	0.665	0.489	0.468	0.288	0.728	0.962	0.066	0.681	0.998	0.686
Compound_21	O=C1CN=C(c2c(N1)sc1c2CCCC1)c1ccccc1	0.671	0.587	0.531	0.503	0.39	0.675	0.234	0.072	0.727	0.198	0.21
Compound_22	CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2=O)cccc1	0.059	0.641	0.297	0.257	0.632	0.262	0.117	0.009	0.343	0.077	0.115
Compound_23	ClC=C(c1cc(Cl)c(cc1Cl)Cl)OP(=O)(OC)OC	0.898	0.932	0.95	0.878	0.905	0.898	0.995	0.998	0.95	0.986	0.647
Compound_24	CCCCCn1cc(c2c1cccc2)C(=O)c1ccccc1OC	0.72	0.733	0.697	0.659	0.367	0.604	0.957	0.596	0.899	0.184	0.803
Compound_25	OCCCCCn1cc(c2c1cccc2)C(=O)c1ccc(cc1)OC	0.776	0.572	0.788	0.686	0.482	0.818	0.208	0.288	0.193	0.013	0.294
Compound_26	COc1ccc(cc1)C(=O)c1cn(c2c1cccc2)CCCCC(=O)O	0.737	0.579	0.638	0.491	0.552	0.78	0.755	0.098	0.268	0.033	0.217
Compound_27	Clc1cc(c(c(c1Cl)Cl)Cl)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl	0.982	0.389	0.992	0.755	0.767	0.766	0.995	0.957	0.865	0.995	0.816
Compound_28	OCCNCCCC(Nc1ccnc2c1ccc(c2)Cl)C	0.042	0.353	0.418	0.334	0.55	0.104	0.006	0.084	0.151	0.213	0.4
Compound_29	CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O	0.136	0.265	0.002	0.259	0.378	0.486	0.101	0.063	0.392	0.437	0.385
Compound_30	CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]	0.826	0.322	0.255	0.415	0.415	0.36	0.993	0.941	0.473	0.995	0.122
Compound_31	O[C@@H]1CC[C@]2(C(=C1)[C@H](O)C[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1CC[C@]2(C)O)C)C	0.943	0.99	0.096	0.868	0.964	0.81	0.009	0.272	0.348	0.998	0.156
Compound_32	Oc1ccc2c(c1)[C@]1(C)CCN([C@H](C2)[C@@H]1C)CCc1ccccc1	0.239	0.728	0.695	0.312	0.615	0.907	0.01	0.229	0.345	0.045	0.918
Compound_33	OC(=O)C(Cc1cc(I)c(c(c1)I)O)N	0.064	0.216	0.024	0.401	0.6	0.098	0.007	0.024	0.058	0.002	0.052
Compound_34	O=S1OC[C@@H]2[C@H](CO1)[C@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.921	0.841	0.521	0.661	0.834	0.419	0.997	0.984	0.087	0.999	0.431
Compound_35	CCCCC[Sn+3]	0.94	0.175	0.309	0.578	0.751	0.864	0.992	0.989	0.935	0.999	0.678
Compound_36	Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl	0.993	0.389	0.99	0.788	0.776	0.595	0.991	0.766	0.798	0.995	0.816
Compound_37	CCCC[SnH3]	0.906	0.13	0.309	0.578	0.743	0.845	0.992	0.989	0.938	0.996	0.656
Compound_38	CCCCCCCC[Sn]CCCCCCCC	0.917	0.137	0.309	0.578	0.91	0.983	1.0	0.989	1.0	0.998	0.647
Compound_39	C1CCC(CC1)[Sn](C1CCCCC1)C1CCCCC1	0.888	0.227	0.179	0.492	0.976	0.997	0.997	0.635	0.904	0.996	0.679
Compound_40	[O-]P(=O)([O-])[O-]	0.914	0.213	0.615	0.547	0.588	0.084	0.442	0.989	0.896	0.998	0.803
Compound_41	[O-]N(=O)=O	0.918	0.102	0.719	0.499	0.597	0.091	0.523	0.969	0.922	0.998	0.681
Compound_42	[O-]S(=O)(=O)[O-]	0.889	0.122	0.395	0.359	0.537	0.09	0.561	0.841	0.583	0.997	0.226
Compound_43	c1ccc(cc1)[SnH](c1ccccc1)c1ccccc1	0.945	0.556	0.736	0.557	0.996	0.995	1.0	0.853	0.979	0.998	0.742
Compound_44	Clc1c(Cl)c(Cl)c(c2c1cccc2Cl)Cl	0.988	0.446	0.978	0.61	0.775	0.728	0.995	0.838	0.954	1.0	0.967
Compound_45	ClC1=C(Cl)C2(C(C1(Cl)C1C2CCC2C(CC1)C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl	0.988	0.691	0.657	0.646	0.864	0.647	0.983	0.597	0.226	1.0	0.752
Compound_46	Cc1cnc(s1)Cl	0.832	0.469	0.851	0.585	0.086	0.452	0.878	0.753	0.946	0.828	0.388
Compound_47	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)(F)F	0.693	0.128	0.131	0.683	0.315	0.263	0.984	0.872	0.373	0.889	0.22
Compound_48	Clc1cc(Cl)c(c(c1c1c(Cl)cccc1Cl)Cl)Cl	0.987	0.389	0.965	0.699	0.806	0.76	0.991	0.783	0.725	0.995	0.816
Compound_49	Clc1c(Cl)ccc(c1Cl)c1cc(Cl)c(c(c1)Cl)Cl	0.993	0.389	0.99	0.788	0.776	0.595	0.991	0.766	0.971	0.995	0.816
Compound_50	O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl	0.97	0.329	0.977	0.779	0.348	0.618	0.914	0.299	0.528	0.656	0.087
Compound_51	COc1cccc(c1)C1(O)CCCCC1CN(C)C	0.186	0.496	0.009	0.191	0.201	0.171	0.023	0.037	0.059	0.003	0.154
Compound_52	Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C	0.068	0.187	0.021	0.135	0.241	0.435	0.001	0.019	0.166	0.003	0.273
Compound_53	Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1	0.888	0.772	0.769	0.763	0.639	0.898	0.949	0.124	0.95	0.128	0.797
Compound_54	Cc1cnc(s1)NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C	0.261	0.583	0.136	0.201	0.212	0.673	0.007	0.021	0.339	0.08	0.087
Compound_55	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOS(=O)(=O)O	0.939	0.109	0.04	0.344	0.356	0.58	0.99	0.571	0.096	0.949	0.343
Compound_56	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O	0.939	0.109	0.04	0.344	0.356	0.58	0.99	0.571	0.096	0.949	0.343
Compound_57	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O	0.939	0.109	0.04	0.344	0.356	0.58	0.99	0.571	0.096	0.949	0.343
Compound_58	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O	0.939	0.109	0.04	0.344	0.356	0.58	0.99	0.571	0.096	0.949	0.343
Compound_59	CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O	0.939	0.109	0.04	0.344	0.46	0.589	0.99	0.571	0.096	0.949	0.343
Compound_60	CC(N(c1ccc(cc1)F)C(=O)CS(=O)(=O)O)C	0.609	0.476	0.122	0.3	0.18	0.399	0.785	0.183	0.399	0.117	0.384
Compound_61	COP(=S)(SCOC(=O)C)OC	0.734	0.059	0.311	0.593	0.084	0.024	0.94	0.933	0.86	0.921	0.763
Compound_62	CC(N(c1ccccc1)C(=O)CS(=O)(=O)O)C	0.465	0.423	0.066	0.293	0.131	0.391	0.759	0.126	0.314	0.038	0.313
Compound_63	CC(Nc1[nH]c(O)nc(=N)n1)(C)C	0.078	0.207	0.238	0.363	0.015	0.54	0.01	0.077	0.084	0.122	0.211
Compound_64	OC(=O)[C@H]1CO[C@@](O1)(Cn1cncn1)c1ccc(cc1Cl)Cl	0.72	0.771	0.646	0.666	0.264	0.704	0.073	0.326	0.362	0.438	0.673
Compound_65	CCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCCC	0.843	0.21	0.137	0.38	0.764	0.098	0.944	0.929	0.376	0.993	0.147
Compound_66	CCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCC)(CCO)C	0.062	0.19	0.009	0.666	0.113	0.128	0.383	0.116	0.099	0.006	0.234
Compound_67	Brc1ccc(c(c1)c1ccccc1)Br	0.996	0.386	0.949	0.787	0.519	0.653	0.997	0.077	0.851	0.99	0.728
Compound_68	Brc1ccc(c(c1)c1ccccc1Br)Br	0.995	0.386	0.958	0.783	0.519	0.653	0.997	0.151	0.722	0.99	0.728
Compound_69	Brc1ccc(c(c1)c1c(Br)cc(cc1Br)Br)Br	0.992	0.386	0.952	0.717	0.599	0.626	0.997	0.443	0.628	0.99	0.728
Compound_70	Cc1cc(cc(c1)C)OP(=O)(Oc1cc(C)cc(c1)C)Oc1cc(C)cc(c1)C	0.72	0.594	0.978	0.68	0.794	0.119	0.98	0.494	0.716	0.97	0.718
Compound_71	C[C@@H]1CCC[C@@H](N1CCCC(c1ccccn1)(c1ccccc1)O)C	0.04	0.508	0.041	0.074	0.075	0.532	0.001	0.022	0.251	0.006	0.316
Compound_72	CCC(=O)O[C@](c1ccccc1)([C@H](CN(C)C)C)Cc1ccccc1	0.04	0.537	0.004	0.136	0.127	0.221	0.008	0.105	0.129	0.183	0.211
Compound_73	CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.964	0.092	0.221	0.648	0.349	0.06	0.983	0.057	0.09	0.931	0.912
Compound_74	FC(C(C(C(C(C(P(=O)(O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)F	0.834	0.147	0.117	0.473	0.649	0.151	0.991	0.095	0.482	0.539	0.65
Compound_75	CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C	0.42	0.789	0.071	0.577	0.124	0.756	0.107	0.056	0.375	0.342	0.174
Compound_76	Nc1cc(N)c(c(c1)N(=O)=O)C	0.804	0.18	0.916	0.507	0.087	0.082	0.968	0.966	0.76	0.914	0.847
Compound_77	CCOc1ccc2c(c1)ccc(c2)N	0.643	0.825	0.983	0.756	0.648	0.925	0.998	0.951	0.556	0.967	0.985
Compound_78	Clc1ccc(cc1)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(Cl)c(cc1Cl)S(=O)(=O)N(C)C	0.685	0.508	0.975	0.643	0.706	0.654	0.628	0.927	0.408	0.967	0.461
Compound_79	C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C	0.963	0.702	0.851	0.771	0.876	0.984	0.995	0.926	0.971	0.987	0.974
Compound_80	CC(C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)C)C=CC(=C[C@@H]([C@H](Cc1ccccc1)O)C)C)C)C(=O)O)C	0.471	0.522	0.107	0.347	0.106	0.171	0.003	0.933	0.407	0.184	0.358
Compound_81	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(C)C)C(=O)O)C)C)Cc1ccccc1	0.543	0.542	0.054	0.336	0.138	0.201	0.019	0.872	0.406	0.128	0.439
Compound_82	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(C)C)C(=O)O)C)C)Cc1ccccc1	0.543	0.542	0.088	0.344	0.138	0.201	0.019	0.872	0.405	0.128	0.439
Compound_83	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.559	0.542	0.368	0.34	0.138	0.201	0.019	0.904	0.407	0.152	0.387
Compound_84	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C)C)Cc1ccccc1	0.547	0.546	0.487	0.325	0.163	0.22	0.019	0.925	0.407	0.243	0.33
Compound_85	CC(C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)C)C=CC(=C[C@@H]([C@H](Cc1ccccc1)O)C)C)C)C(=O)O)C	0.471	0.522	0.149	0.356	0.106	0.171	0.003	0.933	0.406	0.184	0.358
Compound_86	CC(C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)O)C)/C)C)C(=O)O)C	0.475	0.498	0.085	0.354	0.121	0.437	0.005	0.841	0.406	0.038	0.36
Compound_87	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C(C)C)C)C)Cc1ccccc1	0.588	0.542	0.368	0.346	0.138	0.201	0.019	0.904	0.407	0.152	0.387
Compound_88	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.588	0.522	0.344	0.337	0.138	0.201	0.019	0.893	0.407	0.138	0.457
Compound_89	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CC)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C)C)C(=O)O)C)C)Cc1ccccc1	0.605	0.548	0.235	0.275	0.158	0.176	0.024	0.947	0.407	0.578	0.56
Compound_90	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C)C)Cc1ccccc1	0.8	0.585	0.051	0.303	0.629	0.684	0.066	0.904	0.406	0.43	0.582
Compound_91	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.588	0.588	0.368	0.34	0.138	0.201	0.019	0.904	0.406	0.501	0.514
Compound_92	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)C)C(=O)O)C)C)Cc1ccccc1	0.531	0.545	0.128	0.359	0.088	0.38	0.005	0.599	0.403	0.041	0.242
Compound_93	CO[C@H]([C@H](/C=C(/C=C/[C@@H]([C@@H](C(=O)N[C@@H](C(=O)O)CCC(=O)N(C(=C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)C)C(=O)O)CC(C)C)C)C)C)N)\C)C)Cc1ccccc1	0.547	0.412	0.069	0.33	0.157	0.622	0.017	0.927	0.406	0.036	0.317
Compound_94	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.761	0.525	0.057	0.319	0.225	0.412	0.263	0.866	0.406	0.325	0.546
Compound_95	CO[C@H]([C@H](/C=C(/C=C/[C@@H]([C@@H](C(=O)N[C@@H](C(=O)O)CCC(=O)N(C(=C)C(=O)N[C@@H](C(=O)O)C)C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](C(=O)O)NC(=O)[C@H](CC(C)C)N)C)CCCNC(=N)N)\C)C)Cc1ccccc1	0.618	0.412	0.062	0.337	0.157	0.622	0.017	0.864	0.405	0.036	0.317
Compound_96	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.616	0.488	0.037	0.342	0.157	0.622	0.017	0.904	0.406	0.019	0.403
Compound_97	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CC)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.616	0.485	0.018	0.312	0.157	0.622	0.017	0.893	0.406	0.038	0.532
Compound_98	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.793	0.478	0.024	0.331	0.23	0.743	0.25	0.9	0.407	0.091	0.447
Compound_99	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.779	0.525	0.036	0.308	0.225	0.412	0.263	0.888	0.406	0.284	0.626
Compound_100	CO[C@H]([C@H](/C=C(/C=C/[C@@H]([C@@H](C(=O)N[C@@H](C(=O)O)CCC(=O)N(C(=C)C(=O)N[C@@H](C(=O)O)C)C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)N)C)CCCNC(=N)N)\C)C)Cc1ccccc1	0.752	0.458	0.011	0.333	0.23	0.743	0.25	0.795	0.405	0.146	0.393
Compound_101	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.59	0.488	0.022	0.333	0.157	0.622	0.017	0.904	0.407	0.019	0.403
Compound_102	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.637	0.478	0.037	0.356	0.148	0.622	0.015	0.887	0.405	0.037	0.41
Compound_103	CC(C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)CCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)O)C)C)C)C(=O)O)C	0.528	0.515	0.079	0.332	0.13	0.593	0.005	0.937	0.407	0.025	0.415
Compound_104	CC=C1NC(=O)CC[C@@H](NC(=O)[C@@H](C)[C@H](C=CC(=C[C@@H]([C@H](Cc2ccccc2)O)C)C)NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C)CC(C)C)C(=O)O)CCCNC(=N)N)C(=O)O	0.536	0.458	0.119	0.315	0.149	0.623	0.005	0.933	0.407	0.048	0.221
Compound_105	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=CC)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)C)C)Cc1ccccc1	0.613	0.498	0.244	0.297	0.18	0.649	0.017	0.853	0.407	0.067	0.274
Compound_106	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CC)NC(=O)C[C@@H](NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.637	0.485	0.018	0.327	0.148	0.622	0.015	0.874	0.405	0.058	0.544
Compound_107	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C)C)Cc1ccccc1	0.616	0.545	0.142	0.296	0.157	0.622	0.017	0.888	0.405	0.038	0.419
Compound_108	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)CC1CNc2c1cccc2)C(=O)O)C)C)Cc1ccccc1	0.782	0.559	0.044	0.378	0.53	0.622	0.618	0.559	0.407	0.236	0.752
Compound_109	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)C[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.592	0.558	0.054	0.261	0.375	0.385	0.019	0.819	0.406	0.438	0.602
Compound_110	COC(=O)CC[C@@H]1NC(=O)C[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC)C)C)C)C(=O)O)C(=O)O	0.598	0.601	0.112	0.258	0.417	0.403	0.019	0.898	0.407	0.583	0.634
Compound_111	CSCC[C@@H]1NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC)C)C)C)C(=O)O)C)C(=O)O	0.583	0.559	0.602	0.369	0.385	0.258	0.028	0.897	0.407	0.178	0.48
Compound_112	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(C)C)C(=O)O)Cc1ccccc1)C)C)Cc1ccccc1	0.747	0.525	0.057	0.325	0.225	0.412	0.263	0.866	0.407	0.338	0.5
Compound_113	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.616	0.458	0.031	0.32	0.157	0.622	0.017	0.893	0.406	0.026	0.455
Compound_114	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.822	0.515	0.038	0.313	0.577	0.66	0.066	0.891	0.406	0.286	0.632
Compound_115	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)Cc1ccc(cc1)O)C)C)Cc1ccccc1	0.799	0.599	0.334	0.313	0.629	0.684	0.066	0.927	0.407	0.828	0.5
Compound_116	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C)C)Cc1ccccc1	0.637	0.545	0.114	0.296	0.148	0.622	0.015	0.868	0.404	0.058	0.422
Compound_117	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=CC)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C)C)Cc1ccccc1	0.613	0.488	0.312	0.314	0.18	0.649	0.017	0.875	0.408	0.048	0.297
Compound_118	CC[C@@H](C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)CCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC)C)C)C)C(=O)O)C	0.627	0.465	0.022	0.35	0.148	0.622	0.015	0.903	0.407	0.046	0.523
Compound_119	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.683	0.478	0.037	0.331	0.249	0.747	0.25	0.894	0.406	0.091	0.447
Compound_120	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=CC)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C)C)Cc1ccccc1	0.613	0.488	0.312	0.314	0.18	0.649	0.017	0.875	0.408	0.048	0.297
Compound_121	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=CC)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)\C)C)Cc1ccccc1	0.63	0.5	0.201	0.297	0.169	0.649	0.015	0.823	0.406	0.082	0.267
Compound_122	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C(C)C)C)C)Cc1ccccc1	0.616	0.518	0.037	0.347	0.157	0.622	0.017	0.904	0.406	0.02	0.362
Compound_123	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(C)C)C(=O)O)C)C)Cc1ccccc1	0.616	0.518	0.037	0.347	0.157	0.622	0.017	0.904	0.406	0.02	0.362
Compound_124	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)CC1CNc2c1cccc2)C(=O)O)C)C)Cc1ccccc1	0.782	0.559	0.072	0.378	0.53	0.622	0.618	0.559	0.406	0.236	0.752
Compound_125	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)CC1CNc2c1cccc2)C)C)Cc1ccccc1	0.789	0.559	0.072	0.378	0.53	0.622	0.618	0.559	0.406	0.236	0.752
Compound_126	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)CO)C(=O)O)C)C)Cc1ccccc1	0.636	0.538	0.125	0.351	0.194	0.642	0.008	0.816	0.405	0.071	0.41
Compound_127	COC(=O)CC[C@@H]1NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC)C)C)C)C(=O)O)C(=O)O	0.598	0.557	0.104	0.246	0.417	0.403	0.019	0.898	0.407	0.199	0.513
Compound_128	COC(=O)CC[C@@H]1NC(=O)C[C@@H](NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC)C)C)C)C(=O)O)C(=O)O	0.591	0.601	0.112	0.32	0.417	0.403	0.019	0.942	0.407	0.583	0.634
Compound_129	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)CO)C)C(=O)O)C)C)Cc1ccccc1	0.58	0.528	0.113	0.359	0.111	0.556	0.004	0.688	0.404	0.072	0.173
Compound_130	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC(C)C)C(=O)O)C)C)Cc1ccccc1	0.616	0.535	0.188	0.333	0.157	0.622	0.017	0.904	0.406	0.027	0.429
Compound_131	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.794	0.535	0.362	0.329	0.225	0.412	0.263	0.9	0.408	0.338	0.436
Compound_132	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)CC(=O)c1ccccc1N)C(=O)O)C)C)Cc1ccccc1	0.674	0.589	0.061	0.329	0.445	0.606	0.242	0.906	0.406	0.269	0.641
Compound_133	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)Cc1ccc(cc1)O)C)C)Cc1ccccc1	0.81	0.545	0.262	0.326	0.577	0.66	0.066	0.902	0.407	0.787	0.559
Compound_134	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)C)C(=O)O)\C)C)Cc1ccccc1	0.843	0.529	0.01	0.324	0.35	0.735	0.029	0.574	0.404	0.172	0.367
Compound_135	CC=C1NC(=O)CC[C@@H](NC(=O)[C@@H](C)[C@H](C=CC(=C[C@@H]([C@H](Cc2ccccc2)OC(=O)C)C)C)NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)CNC1=O)CC(C)C)C(=O)O)CCCNC(=N)N)C(=O)O	0.603	0.56	0.215	0.277	0.199	0.669	0.026	0.913	0.407	0.079	0.258
Compound_136	NC(=N)NCCC[C@@H]1NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)C)C)C(=O)O)C)C(C)C)C(=O)O	0.597	0.545	0.019	0.329	0.174	0.644	0.026	0.929	0.407	0.022	0.436
Compound_137	CC(C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)CCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)C)C)C(=O)O)C	0.598	0.55	0.26	0.304	0.198	0.66	0.026	0.942	0.407	0.057	0.375
Compound_138	CC(C[C@@H]1NC(=O)CNC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)CCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)C)C)C(=O)O)C	0.597	0.545	0.123	0.276	0.174	0.644	0.026	0.924	0.406	0.038	0.419
Compound_139	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCS(=O)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.807	0.551	0.052	0.328	0.602	0.577	0.09	0.902	0.407	0.871	0.408
Compound_140	CC(C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)CCCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)C)C)C(=O)O)C	0.618	0.535	0.133	0.338	0.163	0.644	0.023	0.913	0.407	0.041	0.436
Compound_141	CC[C@@H](C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC)C)C)C)C(=O)O)C	0.614	0.442	0.036	0.329	0.168	0.643	0.015	0.92	0.407	0.055	0.4
Compound_142	CC[C@@H](C[C@@H]1NC(=O)[C@@H](C)NC(=O)/C(=C\C)/NC(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C)C(=O)O)C	0.622	0.458	0.042	0.331	0.169	0.649	0.015	0.883	0.407	0.081	0.417
Compound_143	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C)C)C(=O)O)C)C)Cc1ccccc1	0.624	0.535	0.186	0.316	0.174	0.593	0.022	0.952	0.407	0.027	0.429
Compound_144	CCCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=CC)NC(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)CCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC)C)C)C)C(=O)O	0.631	0.51	0.042	0.348	0.163	0.656	0.015	0.844	0.407	0.098	0.46
Compound_145	CC[C@@H](C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)O)C)C)C)C(=O)O)C	0.542	0.418	0.012	0.357	0.122	0.595	0.005	0.935	0.407	0.024	0.421
Compound_146	CC(C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)O)C)C)C)C(=O)O)C	0.553	0.478	0.089	0.327	0.122	0.595	0.005	0.925	0.406	0.037	0.346
Compound_147	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.616	0.508	0.281	0.342	0.157	0.622	0.017	0.904	0.407	0.025	0.354
Compound_148	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.625	0.515	0.022	0.289	0.157	0.622	0.017	0.813	0.407	0.021	0.476
Compound_149	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)CC1CNc2c1cccc2)C(=O)O)C)C)Cc1ccccc1	0.788	0.559	0.046	0.367	0.53	0.622	0.618	0.55	0.406	0.304	0.808
Compound_150	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C)C(=O)O)C)C)Cc1ccccc1	0.572	0.508	0.281	0.35	0.085	0.535	0.012	0.776	0.405	0.042	0.16
Compound_151	COC(=O)CC[C@@H]1NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC)C)C)C)C(=O)O)C(=O)O	0.591	0.557	0.104	0.308	0.417	0.403	0.019	0.942	0.407	0.199	0.513
Compound_152	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)CC1C(=O)Nc2c1cccc2)C(=O)O)C)C)Cc1ccccc1	0.795	0.569	0.223	0.409	0.516	0.614	0.618	0.92	0.406	0.457	0.753
Compound_153	CSCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)CCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC)C)C)C)C(=O)O	0.616	0.485	0.023	0.331	0.333	0.606	0.026	0.88	0.406	0.047	0.491
Compound_154	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)CO)C)C(=O)O)C)C)Cc1ccccc1	0.58	0.528	0.104	0.357	0.111	0.556	0.004	0.669	0.405	0.072	0.173
Compound_155	CO[C@H]([C@H](/C=C(/C=C/[C@@H]([C@@H](C(=O)N[C@@H](C(=O)O)CCC(=O)N(C(=C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@H](C(=O)O)CCCNC(=N)N)CC(C)C)C)C)C)N)\C)C)Cc1ccccc1	0.547	0.432	0.042	0.33	0.157	0.622	0.017	0.927	0.405	0.028	0.393
Compound_156	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C)C)Cc1ccccc1	0.546	0.482	0.218	0.315	0.173	0.493	0.017	0.886	0.406	0.061	0.331
Compound_157	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.665	0.535	0.495	0.338	0.251	0.424	0.263	0.896	0.407	0.338	0.436
Compound_158	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)CC(=O)c1ccccc1N)C(=O)O)C)C)Cc1ccccc1	0.695	0.579	0.039	0.318	0.445	0.606	0.242	0.903	0.406	0.281	0.705
Compound_159	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C)C)Cc1ccccc1	0.782	0.476	0.023	0.304	0.259	0.759	0.25	0.918	0.406	0.122	0.5
Compound_160	COC(=O)CC[C@@H]1NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC)C)C)C)C(=O)O)CO)C(=O)O	0.574	0.63	0.03	0.284	0.275	0.313	0.002	0.625	0.405	0.241	0.46
Compound_161	COC(=O)CC[C@@H]1NC(=O)C[C@@H](NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC)C)C)C)C(=O)O)CO)C(=O)O	0.566	0.63	0.033	0.346	0.275	0.313	0.002	0.698	0.405	0.241	0.46
Compound_162	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C[C@@H]2CC[C@H](C=C2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.68	0.438	0.037	0.335	0.188	0.728	0.012	0.919	0.406	0.074	0.414
Compound_163	CC[C@@H](C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)Cc1ccc(cc1)O)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C)C(=O)O)C	0.811	0.515	0.037	0.343	0.577	0.66	0.066	0.905	0.406	0.729	0.7
Compound_164	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.835	0.525	0.375	0.335	0.577	0.66	0.066	0.902	0.407	0.381	0.423
Compound_165	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)C)C(=O)O)Cc1ccc(cc1)O)C)C)Cc1ccccc1	0.824	0.562	0.112	0.345	0.374	0.468	0.016	0.523	0.404	0.419	0.439
Compound_166	CC(C[C@@H]1NC(=O)CNC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)CCCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)C)C)C(=O)O)C	0.618	0.545	0.098	0.276	0.163	0.644	0.023	0.906	0.405	0.058	0.422
Compound_167	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)Cc1ccccc1)C)C)Cc1ccccc1	0.763	0.555	0.251	0.321	0.225	0.412	0.263	0.9	0.408	0.754	0.565
Compound_168	CC(C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)C)C)C(=O)O)C	0.598	0.503	0.244	0.302	0.198	0.66	0.026	0.942	0.407	0.048	0.302
Compound_169	CC[C@@H](C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)CCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)C)C)C(=O)O)C	0.609	0.51	0.033	0.324	0.186	0.66	0.023	0.941	0.407	0.095	0.475
Compound_170	CC=C1NC(=O)CC[C@@H](NC(=O)[C@@H](C)[C@H](C=CC(=C[C@@H]([C@H](Cc2ccccc2)OC(=O)C)C)C)NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)CNC1=O)CC(C)C)C(=O)O)CCCCNC(=N)N)C(=O)O	0.621	0.56	0.176	0.277	0.187	0.669	0.023	0.882	0.407	0.103	0.254
Compound_171	CC=C1NC(=O)CC[C@@H](NC(=O)[C@@H](C)[C@H](C=CC(=C[C@@H]([C@H](Cc2ccccc2)OC(=O)C)C)C)NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C)CC(C)C)C(=O)O)CCCNC(=N)N)C(=O)O	0.604	0.55	0.278	0.304	0.199	0.669	0.026	0.92	0.408	0.057	0.284
Compound_172	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C)C)C(=O)O)C)C)Cc1ccccc1	0.624	0.508	0.278	0.314	0.174	0.593	0.022	0.952	0.407	0.025	0.354
Compound_173	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=CC)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.622	0.508	0.281	0.35	0.158	0.632	0.017	0.776	0.407	0.025	0.305
Compound_174	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.637	0.498	0.233	0.356	0.148	0.622	0.015	0.887	0.406	0.048	0.359
Compound_175	CC(C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)CCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)O)C)C)C)C(=O)O)C	0.528	0.515	0.079	0.332	0.13	0.593	0.005	0.937	0.405	0.025	0.415
Compound_176	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C)C)Cc1ccccc1	0.616	0.525	0.018	0.296	0.157	0.622	0.017	0.888	0.403	0.03	0.462
Compound_177	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C)C)Cc1ccccc1	0.604	0.488	0.039	0.314	0.179	0.642	0.017	0.922	0.405	0.053	0.423
Compound_178	NC(=N)NCCC[C@@H]1NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C=CC(=C[C@@H]([C@H](Cc1ccccc1)O)C)C)C)C(=O)O)C)C(=O)O	0.528	0.505	0.008	0.332	0.13	0.593	0.005	0.937	0.406	0.02	0.44
Compound_179	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C(=CC)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)C)C)Cc1ccccc1	0.613	0.488	0.035	0.297	0.18	0.649	0.017	0.853	0.406	0.053	0.337
Compound_180	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.625	0.488	0.037	0.297	0.157	0.622	0.017	0.813	0.407	0.019	0.403
Compound_181	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)CC1CNc2c1cccc2)C)C)Cc1ccccc1	0.788	0.599	0.32	0.378	0.53	0.622	0.618	0.559	0.407	0.471	0.743
Compound_182	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=CC)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)CC1CNc2c1cccc2)C)C)Cc1ccccc1	0.772	0.687	0.415	0.374	0.574	0.65	0.618	0.483	0.408	0.537	0.688
Compound_183	CO[C@H]([C@H](C1OC1(C)/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)Cc1ccccc1	0.739	0.646	0.093	0.25	0.554	0.721	0.04	0.9	0.407	0.039	0.424
Compound_184	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)CC1C(=O)Nc2c1cccc2)C(=O)O)C)C)Cc1ccccc1	0.801	0.569	0.151	0.399	0.516	0.614	0.618	0.911	0.406	0.485	0.808
Compound_185	CSCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC)C)C)C)C(=O)O	0.616	0.478	0.038	0.352	0.333	0.606	0.026	0.88	0.406	0.041	0.421
Compound_186	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)C)C(=O)O)C)C)Cc1ccccc1	0.6	0.545	0.077	0.347	0.097	0.539	0.003	0.529	0.405	0.041	0.242
Compound_187	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)Cc1ccc(cc1)O)\C)C)Cc1ccccc1	0.811	0.488	0.015	0.287	0.5	0.814	0.061	0.901	0.406	0.099	0.521
Compound_188	O=CNc1ccccc1C(=O)C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)C)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C)C(=O)O	0.764	0.589	0.263	0.412	0.489	0.641	0.258	0.951	0.406	0.548	0.595
Compound_189	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCS(=O)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.65	0.485	0.021	0.323	0.227	0.551	0.026	0.904	0.407	0.145	0.418
Compound_190	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.793	0.488	0.014	0.323	0.23	0.743	0.25	0.9	0.407	0.105	0.522
Compound_191	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C)C)Cc1ccccc1	0.782	0.466	0.021	0.302	0.259	0.759	0.25	0.918	0.407	0.106	0.432
Compound_192	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C)C)Cc1ccccc1	0.672	0.476	0.039	0.314	0.28	0.764	0.25	0.913	0.406	0.122	0.5
Compound_193	NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C=CC(=C[C@@H]([C@H](Cc1ccccc1)O)C)C)C)C(=O)O)C)C(=O)O	0.743	0.468	0.007	0.341	0.192	0.719	0.087	0.933	0.407	0.079	0.422
Compound_194	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)Cc1ccccc1)C)C)Cc1ccccc1	0.769	0.488	0.014	0.323	0.23	0.743	0.25	0.9	0.407	0.105	0.522
Compound_195	COC(=O)CC[C@@H]1NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC)C)C)C)C(=O)O)CO)C(=O)O	0.566	0.63	0.03	0.333	0.275	0.313	0.002	0.679	0.405	0.241	0.46
Compound_196	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.754	0.525	0.535	0.346	0.617	0.677	0.066	0.9	0.407	0.381	0.423
Compound_197	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)Cc1ccc(cc1)O)C)C)Cc1ccccc1	0.801	0.476	0.021	0.268	0.545	0.825	0.061	0.919	0.406	0.126	0.5
Compound_198	CC(=C[C@@H]([C@H](Cc1ccccc1)O)C)C=C[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)Cc1ccc(cc1)O	0.766	0.478	0.005	0.327	0.442	0.786	0.026	0.938	0.406	0.086	0.493
Compound_199	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.588	0.542	0.495	0.349	0.138	0.201	0.019	0.904	0.407	0.152	0.387
Compound_200	CC(C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C)C(=O)O)C	0.555	0.518	0.197	0.312	0.168	0.499	0.025	0.908	0.407	0.041	0.374
Compound_201	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.808	0.515	0.061	0.324	0.577	0.66	0.066	0.874	0.406	0.367	0.542
Compound_202	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)CC(C)C)C(=O)O)C)C)Cc1ccccc1	0.604	0.472	0.275	0.322	0.179	0.642	0.017	0.922	0.406	0.044	0.303
Compound_203	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(C)C)C(=O)O)C)C)Cc1ccccc1	0.616	0.508	0.281	0.347	0.157	0.622	0.017	0.904	0.407	0.025	0.354
Compound_204	CC(C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)O)C)C)C)C(=O)O)C	0.528	0.488	0.111	0.341	0.13	0.593	0.005	0.937	0.406	0.023	0.341
Compound_205	CO[C@@H](Cc1ccccc1)C/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC(C)C)C(=O)O)\C	0.616	0.508	0.281	0.32	0.15	0.63	0.021	0.9	0.406	0.025	0.354
Compound_206	CO[C@H]([C@H](C=CC=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC(C)C)C(=O)O)C)Cc1ccccc1	0.62	0.461	0.309	0.313	0.157	0.622	0.017	0.962	0.406	0.024	0.284
Compound_207	CSCC[C@@H]1NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC)C)C)C)C(=O)O)C)C(=O)O	0.799	0.501	0.09	0.345	0.777	0.661	0.09	0.896	0.406	0.314	0.565
Compound_208	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C(=CC)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)C)C)Cc1ccccc1	0.635	0.49	0.035	0.297	0.169	0.649	0.015	0.823	0.406	0.064	0.33
Compound_209	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C)C)Cc1ccccc1	0.642	0.525	0.018	0.296	0.148	0.622	0.015	0.868	0.403	0.045	0.465
Compound_210	NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C=CC(=C[C@@H]([C@H](Cc1ccccc1)O)C)C)C)C(=O)O)C)C(=O)O	0.528	0.488	0.012	0.341	0.13	0.593	0.005	0.937	0.406	0.019	0.371
Compound_211	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)CC1CNc2c1cccc2)C(=O)O)C)C)Cc1ccccc1	0.788	0.579	0.442	0.378	0.53	0.622	0.618	0.559	0.407	0.246	0.646
Compound_212	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=O)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.629	0.505	0.004	0.285	0.157	0.622	0.017	0.742	0.407	0.029	0.5
Compound_213	CC(C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C)C(=O)O)C(O)C)C	0.576	0.52	0.091	0.322	0.123	0.576	0.004	0.928	0.406	0.072	0.169
Compound_214	CC[C@@H](C[C@@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@@H](C(=O)O)CCC(=O)N(C(=C)C(=O)N[C@@H](C(=O)O)C)C)C)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)CCCNC(=N)N)C)C(=O)O)N)C	0.625	0.382	0.007	0.344	0.148	0.622	0.015	0.862	0.406	0.044	0.388
Compound_215	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)CO)C)C(=O)O)C)C)Cc1ccccc1	0.58	0.524	0.012	0.359	0.111	0.556	0.004	0.696	0.401	0.057	0.227
Compound_216	O=CNc1ccccc1C(=O)C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CC)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C)C(=O)O	0.771	0.579	0.181	0.391	0.489	0.641	0.258	0.945	0.406	0.562	0.675
Compound_217	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCS(=O)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.65	0.458	0.031	0.342	0.227	0.551	0.026	0.904	0.407	0.128	0.389
Compound_218	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](NC(=O)/C(=C\C)/NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)\C)C)Cc1ccccc1	0.676	0.506	0.042	0.324	0.281	0.771	0.25	0.867	0.407	0.122	0.447
Compound_219	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.683	0.488	0.022	0.323	0.249	0.747	0.25	0.894	0.406	0.105	0.522
Compound_220	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)\C)C)Cc1ccccc1	0.672	0.466	0.036	0.312	0.28	0.764	0.25	0.913	0.406	0.106	0.432
Compound_221	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C(C)C)C)C)Cc1ccccc1	0.588	0.542	0.495	0.354	0.138	0.201	0.019	0.904	0.407	0.152	0.387
Compound_222	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.769	0.478	0.024	0.331	0.23	0.743	0.25	0.9	0.407	0.091	0.447
Compound_223	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCS(=O)(=O)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.652	0.495	0.017	0.342	0.22	0.566	0.026	0.944	0.408	0.112	0.396
Compound_224	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)\C)C)Cc1ccccc1	0.75	0.476	0.04	0.281	0.575	0.83	0.061	0.916	0.406	0.126	0.5
Compound_225	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.832	0.488	0.015	0.287	0.5	0.814	0.061	0.901	0.406	0.099	0.521
Compound_226	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)\C)C)Cc1ccccc1	0.822	0.466	0.02	0.266	0.545	0.825	0.061	0.919	0.406	0.11	0.423
Compound_227	NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)O)C)/C)C)C(=O)O)C)C(=O)O	0.79	0.468	0.007	0.336	0.442	0.786	0.026	0.938	0.406	0.075	0.416
Compound_228	NC(=N)NCCC[C@@H]1NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)O)C)/C)C)C(=O)O)C)C(=O)O	0.702	0.478	0.009	0.319	0.472	0.792	0.026	0.927	0.406	0.086	0.493
Compound_229	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.616	0.525	0.022	0.333	0.157	0.622	0.017	0.904	0.406	0.03	0.462
Compound_230	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)\C)C)Cc1ccccc1	0.801	0.466	0.02	0.266	0.545	0.825	0.061	0.919	0.406	0.11	0.423
Compound_231	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=CC)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)Cc1ccc(cc1)O)\C)C)Cc1ccccc1	0.793	0.506	0.024	0.279	0.549	0.834	0.061	0.875	0.407	0.126	0.454
Compound_232	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)/C(=C\C)/NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)\C)C)Cc1ccccc1	0.814	0.506	0.024	0.279	0.549	0.834	0.061	0.875	0.407	0.126	0.454
Compound_233	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)Cc1ccc(c(c1)OC)O)\C)C)Cc1ccccc1	0.811	0.566	0.292	0.375	0.273	0.341	0.092	0.923	0.407	0.251	0.334
Compound_234	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC2=CC[C@H](C=C2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.639	0.458	0.033	0.332	0.206	0.72	0.013	0.924	0.406	0.064	0.488
Compound_235	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C[C@@H]2CC[C@H](C=C2)O)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)\C)C)Cc1ccccc1	0.669	0.429	0.036	0.306	0.213	0.744	0.012	0.937	0.406	0.095	0.398
Compound_236	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](C[C@@H]2CC[C@H](C=C2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.68	0.458	0.029	0.317	0.188	0.728	0.012	0.919	0.406	0.064	0.488
Compound_237	O[C@@H]1CC[C@H](C=C1)C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)O)C)/C)C)C(=O)O	0.614	0.428	0.034	0.325	0.187	0.716	0.008	0.936	0.406	0.049	0.39
Compound_238	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C)C)Cc1ccccc1	0.604	0.488	0.292	0.314	0.179	0.642	0.017	0.922	0.407	0.048	0.375
Compound_239	CC(C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C)C(=O)O)C	0.618	0.498	0.206	0.336	0.163	0.644	0.023	0.913	0.407	0.048	0.359
Compound_240	CC[C@@H](C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)C)C)C(=O)O)C	0.609	0.438	0.031	0.342	0.163	0.644	0.023	0.928	0.407	0.031	0.444
Compound_241	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.616	0.535	0.188	0.333	0.157	0.622	0.017	0.904	0.407	0.027	0.429
Compound_242	CCCCCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C)C(=O)O	0.664	0.465	0.037	0.366	0.142	0.63	0.015	0.87	0.407	0.069	0.536
Compound_243	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)Cc1ccc(cc1)O)\C)C)Cc1ccccc1	0.817	0.535	0.037	0.316	0.851	0.802	0.147	0.874	0.406	0.777	0.661
Compound_244	CC=C1NC(=O)CC[C@@H](NC(=O)[C@@H](C)[C@H](C=CC(=C[C@@H]([C@H](Cc2ccccc2)OC(=O)C)C)C)NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)CNC1=O)CCCNC(=N)N)C(=O)O)CCCNC(=N)N)C(=O)O	0.603	0.55	0.03	0.277	0.199	0.669	0.026	0.913	0.406	0.062	0.319
Compound_245	NC(=N)NCCC[C@@H]1NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C)C(=O)O)C)C(=O)O	0.597	0.525	0.015	0.276	0.174	0.644	0.026	0.924	0.404	0.03	0.462
Compound_246	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.642	0.525	0.022	0.348	0.148	0.622	0.015	0.887	0.406	0.045	0.465
Compound_247	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C)C)C(=O)O)\C)C)Cc1ccccc1	0.624	0.525	0.027	0.316	0.174	0.593	0.022	0.952	0.407	0.03	0.462
Compound_248	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=CC)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)Cc1ccc(cc1)O)C)C)Cc1ccccc1	0.782	0.649	0.362	0.333	0.635	0.711	0.066	0.884	0.408	0.828	0.516
Compound_249	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=CC)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C)C)Cc1ccccc1	0.613	0.488	0.042	0.314	0.18	0.649	0.017	0.879	0.407	0.053	0.337
Compound_250	OC[C@H]1NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C(=O)O	0.631	0.539	0.133	0.347	0.189	0.643	0.007	0.759	0.406	0.037	0.399
Compound_251	CSCC[C@H]1NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)C(=O)O)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C(=O)O	0.62	0.525	0.193	0.331	0.333	0.606	0.026	0.88	0.406	0.049	0.461
Compound_252	OC[C@H]1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)CCCNC(=N)N	0.581	0.545	0.089	0.335	0.108	0.559	0.003	0.542	0.406	0.041	0.242
Compound_253	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)C)C(=O)O)\C)C)Cc1ccccc1	0.6	0.535	0.008	0.347	0.097	0.539	0.003	0.529	0.402	0.032	0.278
Compound_254	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)CO)C)C(=O)O)\C)C)Cc1ccccc1	0.58	0.524	0.011	0.357	0.111	0.556	0.004	0.678	0.402	0.057	0.227
Compound_255	CNC(=O)CC[C@H](C(=O)O)NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=O)C)C)CCCNC(=N)N)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C	0.579	0.485	0.065	0.363	0.09	0.574	0.015	0.888	0.404	0.052	0.138
Compound_256	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(O)C)C)C(=O)O)C)C)Cc1ccccc1	0.58	0.484	0.011	0.332	0.111	0.556	0.004	0.915	0.402	0.067	0.196
Compound_257	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.748	0.515	0.102	0.335	0.871	0.814	0.147	0.9	0.405	0.367	0.542
Compound_258	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C)C)C(=O)O)\C)C)Cc1ccccc1	0.796	0.478	0.029	0.304	0.253	0.717	0.25	0.949	0.407	0.091	0.447
Compound_259	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCS(=O)(=O)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.652	0.468	0.029	0.35	0.22	0.566	0.026	0.944	0.408	0.104	0.376
Compound_260	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=CC)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)\C)C)Cc1ccccc1	0.814	0.496	0.022	0.277	0.549	0.834	0.061	0.865	0.407	0.11	0.379
Compound_261	CC(C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)CCCN=C(N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C)C(=O)O)C	0.555	0.545	0.127	0.314	0.168	0.499	0.025	0.908	0.407	0.15	0.457
Compound_262	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)\C)C)Cc1ccccc1	0.75	0.466	0.037	0.279	0.575	0.83	0.061	0.916	0.406	0.11	0.423
Compound_263	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=CC)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C)C)Cc1ccccc1	0.743	0.506	0.045	0.301	0.579	0.839	0.061	0.87	0.407	0.126	0.454
Compound_264	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=CC)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)\C)C)Cc1ccccc1	0.743	0.506	0.045	0.301	0.579	0.839	0.061	0.87	0.407	0.126	0.454
Compound_265	CO[C@H]([C@H](C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.616	0.508	0.281	0.342	0.157	0.622	0.017	0.904	0.407	0.025	0.354
Compound_266	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.759	0.488	0.026	0.289	0.534	0.82	0.061	0.897	0.406	0.099	0.521
Compound_267	CO[C@H]([C@H](C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.616	0.508	0.037	0.342	0.157	0.622	0.017	0.904	0.406	0.027	0.391
Compound_268	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC2=CC[C@H](C=C2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.639	0.438	0.041	0.35	0.206	0.72	0.013	0.924	0.406	0.074	0.414
Compound_269	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.658	0.525	0.088	0.328	0.611	0.64	0.639	0.896	0.405	0.325	0.546
Compound_270	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)CO)C)C(=O)O)C)C)Cc1ccccc1	0.75	0.577	0.013	0.34	0.414	0.754	0.035	0.748	0.402	0.215	0.32
Compound_271	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)C)C(=O)O)Cc1ccc(cc1)O)\C)C)Cc1ccccc1	0.823	0.529	0.006	0.316	0.35	0.735	0.029	0.595	0.403	0.172	0.367
Compound_272	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)CO)C)C(=O)O)\C)C)Cc1ccccc1	0.836	0.577	0.006	0.326	0.386	0.747	0.035	0.734	0.404	0.215	0.32
Compound_273	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.59	0.488	0.037	0.342	0.157	0.622	0.017	0.904	0.406	0.019	0.403
Compound_274	CC[C@@H](C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)C)C)C(=O)O)C	0.618	0.428	0.031	0.356	0.163	0.644	0.023	0.911	0.407	0.059	0.455
Compound_275	CC(C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C)C(=O)O)C	0.597	0.535	0.165	0.323	0.174	0.644	0.026	0.929	0.406	0.027	0.429
Compound_276	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC(C)C)C(=O)O)\C=O)C)Cc1ccccc1	0.647	0.508	0.258	0.342	0.173	0.696	0.017	0.904	0.406	0.025	0.354
Compound_277	CC[C@@H](C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C)C(=O)O)C	0.627	0.478	0.281	0.358	0.148	0.622	0.015	0.903	0.406	0.033	0.401
Compound_278	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.637	0.498	0.233	0.356	0.148	0.622	0.015	0.887	0.405	0.048	0.359
Compound_279	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.624	0.508	0.278	0.314	0.174	0.593	0.022	0.952	0.407	0.025	0.354
Compound_280	CC[C@@H](C[C@H]1NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C(=O)O)C	0.627	0.478	0.281	0.358	0.148	0.622	0.015	0.903	0.406	0.033	0.401
Compound_281	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)/C(=C\C)/NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)\C)C)Cc1ccccc1	0.779	0.649	0.058	0.335	0.878	0.837	0.147	0.88	0.407	0.82	0.679
Compound_282	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.817	0.515	0.061	0.324	0.851	0.802	0.147	0.874	0.406	0.367	0.542
Compound_283	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.616	0.508	0.281	0.342	0.157	0.622	0.017	0.904	0.406	0.025	0.354
Compound_284	NC(=N)NCCC[C@@H]1NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C)C(=O)O)C)C(=O)O	0.597	0.525	0.019	0.323	0.174	0.644	0.026	0.929	0.406	0.03	0.462
Compound_285	CC=C1NC(=O)CC[C@@H](NC(=O)[C@@H](C)[C@H](C=CC(=C[C@@H]([C@H](Cc2ccccc2)OC(=O)C)C)C)NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)CNC1=O)CCCNC(=N)N)C(=O)O)CCCCNC(=N)N)C(=O)O	0.627	0.55	0.03	0.277	0.187	0.669	0.023	0.882	0.406	0.082	0.315
Compound_286	C/C(=C\[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C=C/[C@@H]1NC(=O)[C@H](CCCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O	0.623	0.525	0.015	0.276	0.163	0.644	0.023	0.906	0.404	0.045	0.465
Compound_287	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC(C)C)C(=O)O)\CO)C)Cc1ccccc1	0.626	0.529	0.153	0.328	0.164	0.628	0.004	0.795	0.406	0.049	0.369
Compound_288	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OCC(O)C)C)C)C(=O)O)C)C)Cc1ccccc1	0.672	0.555	0.097	0.343	0.168	0.586	0.006	0.965	0.409	0.054	0.401
Compound_289	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)Cc1c[nH]c2c1cccc2)\C)C)Cc1ccccc1	0.78	0.518	0.079	0.362	0.522	0.679	0.827	0.698	0.406	0.166	0.706
Compound_290	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)Cc1c[nH]c2c1cccc2)C(=O)O)\C)C)Cc1ccccc1	0.789	0.537	0.114	0.34	0.542	0.681	0.827	0.732	0.406	0.112	0.644
Compound_291	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)Cc1c[nH]c2c1cccc2)C(=O)O)\C)C)Cc1ccccc1	0.796	0.518	0.079	0.362	0.522	0.679	0.827	0.698	0.406	0.166	0.706
Compound_292	NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)O)C)/C)C)C(=O)O)C)Cc1c[nH]c2c1cccc2)C(=O)O	0.764	0.477	0.088	0.379	0.495	0.677	0.482	0.807	0.406	0.09	0.625
Compound_293	CSCC[C@H]1NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)C(=O)O)C)CCCNC(=N)N)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC)C)C)C(=O)O	0.62	0.518	0.287	0.352	0.333	0.606	0.026	0.88	0.406	0.043	0.389
Compound_294	CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C)C(=O)O	0.616	0.518	0.287	0.352	0.333	0.606	0.026	0.88	0.406	0.043	0.389
Compound_295	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.61	0.545	0.124	0.366	0.097	0.539	0.003	0.507	0.402	0.041	0.242
Compound_296	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)C)C(=O)O)\C)C)Cc1ccccc1	0.6	0.535	0.013	0.355	0.097	0.539	0.003	0.507	0.402	0.032	0.278
Compound_297	O=CNc1ccccc1C(=O)C[C@@H]1NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C)C(=O)O)C)C(=O)O	0.756	0.589	0.785	0.412	0.489	0.641	0.258	0.951	0.407	0.562	0.481
Compound_298	NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C)C(=O)O)C)C(=O)O	0.77	0.478	0.02	0.311	0.252	0.758	0.332	0.926	0.407	0.091	0.447
Compound_299	NC(=N)NCCC[C@@H]1NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C)C(=O)O)C)C(=O)O	0.669	0.488	0.019	0.313	0.272	0.763	0.332	0.925	0.406	0.105	0.522
Compound_300	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C)C)C(=O)O)\C)C)Cc1ccccc1	0.833	0.478	0.032	0.269	0.529	0.793	0.061	0.934	0.407	0.086	0.442
Compound_301	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C)C)C(=O)O)\C)C)Cc1ccccc1	0.763	0.488	0.033	0.283	0.558	0.8	0.061	0.932	0.407	0.099	0.521
Compound_302	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)C(=O)O)\C)C)Cc1ccccc1	0.775	0.498	0.012	0.33	0.529	0.799	0.062	0.824	0.404	0.142	0.572
Compound_303	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](Cc2ccc(c(c2)OC)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.827	0.498	0.019	0.312	0.29	0.567	0.086	0.915	0.406	0.067	0.476
Compound_304	COc1cc(ccc1O)C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)O)C)/C)C)C(=O)O	0.786	0.478	0.011	0.38	0.247	0.547	0.052	0.959	0.406	0.043	0.401
Compound_305	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)CO)C)C(=O)O)\C)C)Cc1ccccc1	0.75	0.577	0.011	0.338	0.414	0.754	0.035	0.731	0.403	0.215	0.32
Compound_306	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)C)C(=O)O)\C)C)Cc1ccccc1	0.758	0.529	0.011	0.318	0.377	0.742	0.029	0.591	0.403	0.172	0.367
Compound_307	CO[C@H]([C@H](/C=C(/C=C/[C@@H]([C@@H](C(=O)N[C@@H](C(=O)O)CCC(=O)N(C(=C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCc1ccc(cc1)O)C)C)C)N)\C)C)Cc1ccccc1	0.717	0.518	0.007	0.298	0.534	0.82	0.061	0.939	0.404	0.035	0.413
Compound_308	O[C@@H]1CC[C@H](C=C1)C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)C(=O)O)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C)C(=O)O	0.663	0.458	0.028	0.317	0.206	0.744	0.01	0.941	0.407	0.064	0.488
Compound_309	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)C)C(=O)O)\C)C)Cc1ccccc1	0.823	0.529	0.01	0.324	0.35	0.735	0.029	0.574	0.404	0.172	0.367
Compound_310	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)C)C(=O)O)\C)C)Cc1ccccc1	0.844	0.518	0.006	0.326	0.35	0.735	0.029	0.601	0.402	0.276	0.359
Compound_311	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CSC[C@@H](C(=O)O)N)C)C(=O)O)\C)C)Cc1ccccc1	0.564	0.515	0.005	0.346	0.263	0.499	0.019	0.591	0.403	0.065	0.273
Compound_312	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C)C(=O)O)\C)C)Cc1ccccc1	0.551	0.515	0.008	0.356	0.465	0.592	0.019	0.623	0.403	0.065	0.273
Compound_313	CC(C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C)C(=O)O)C	0.597	0.508	0.25	0.321	0.174	0.644	0.026	0.929	0.407	0.025	0.354
Compound_314	CC[C@@H](C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C)C(=O)OC)C	0.636	0.478	0.278	0.341	0.164	0.593	0.02	0.951	0.408	0.033	0.401
Compound_315	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)/C(=C\C)/NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)\C)C)Cc1ccccc1	0.722	0.649	0.104	0.354	0.895	0.847	0.147	0.886	0.407	0.82	0.679
Compound_316	CC=C1NC(=O)CC[C@@H](NC(=O)[C@@H](C)[C@H](C=CC(=C[C@@H]([C@H](Cc2ccccc2)OC(=O)C)C)C)NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C)CCCNC(=N)N)C(=O)O)CCCNC(=N)N)C(=O)O	0.604	0.55	0.036	0.304	0.199	0.669	0.026	0.922	0.407	0.062	0.319
Compound_317	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.637	0.498	0.037	0.356	0.148	0.622	0.015	0.887	0.405	0.052	0.394
Compound_318	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.616	0.545	0.188	0.333	0.157	0.622	0.017	0.904	0.406	0.038	0.419
Compound_319	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C)CO)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.619	0.545	0.122	0.328	0.109	0.522	0.006	0.67	0.404	0.041	0.242
Compound_320	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CCS(=O)C)C(=O)O)\C)C)Cc1ccccc1	0.639	0.508	0.249	0.342	0.227	0.551	0.026	0.904	0.407	0.135	0.382
Compound_321	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCS(=O)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.65	0.508	0.249	0.342	0.227	0.551	0.026	0.904	0.407	0.135	0.382
Compound_322	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.683	0.508	0.188	0.323	0.249	0.747	0.25	0.894	0.406	0.11	0.47
Compound_323	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)Cc1ccccc1)C(=O)O)\C)C)Cc1ccccc1	0.78	0.498	0.184	0.331	0.23	0.743	0.25	0.9	0.408	0.096	0.391
Compound_324	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.793	0.498	0.184	0.331	0.23	0.743	0.25	0.9	0.408	0.096	0.391
Compound_325	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)CC(=O)c1ccccc1N)C(=O)O)\C)C)Cc1ccccc1	0.709	0.508	0.025	0.331	0.378	0.692	0.252	0.897	0.407	0.108	0.471
Compound_326	NC(=N)NCCC[C@@H]1NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C)C(=O)O)C)C(=O)O	0.743	0.488	0.023	0.279	0.564	0.831	0.089	0.907	0.406	0.099	0.521
Compound_327	CC=C1NC(=O)CC[C@@H](NC(=O)[C@@H](C)[C@H](C=CC(=C[C@@H]([C@H](Cc2ccccc2)OC(=O)C)C)C)NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C)CCc1ccc(cc1)O)C(=O)O)CCCNC(=N)N)C(=O)O	0.736	0.599	0.039	0.291	0.609	0.85	0.089	0.898	0.407	0.186	0.438
Compound_328	NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C=CC(=C[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)C)C)C(=O)O)C)C(=O)O	0.81	0.478	0.022	0.275	0.534	0.826	0.089	0.91	0.407	0.086	0.442
Compound_329	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)N(C)C(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.758	0.478	0.03	0.257	0.534	0.82	0.061	0.891	0.405	0.086	0.442
Compound_330	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)/C(=C\C)/NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)Cc1c[nH]c2c1cccc2)\C)C)Cc1ccccc1	0.811	0.687	0.299	0.352	0.854	0.691	0.984	0.805	0.407	0.874	0.897
Compound_331	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](Cc2ccc(c(c2)OC)O)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.811	0.478	0.031	0.32	0.29	0.567	0.086	0.915	0.406	0.043	0.401
Compound_332	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCc2ccc(c(c2)OC)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.766	0.498	0.029	0.312	0.341	0.584	0.086	0.915	0.406	0.067	0.476
Compound_333	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(c(c2)OC)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.827	0.478	0.031	0.32	0.29	0.567	0.086	0.915	0.406	0.043	0.401
Compound_334	CO[C@H]([C@H](/C=C(/C=C/[C@@H]([C@@H](C(=O)N[C@@H](C(=O)O)CCC(=O)N(C(=C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)C)C(=O)O)CCc1ccc(cc1)O)C)C)C)N)\C)C)Cc1ccccc1	0.717	0.498	0.013	0.298	0.534	0.82	0.061	0.939	0.404	0.041	0.334
Compound_335	O[C@@H]1CC[C@H](C=C1)C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C)C(=O)O	0.663	0.438	0.035	0.325	0.206	0.744	0.01	0.941	0.407	0.074	0.414
Compound_336	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)C)C(=O)O)\C)C)Cc1ccccc1	0.758	0.529	0.018	0.326	0.377	0.742	0.029	0.57	0.403	0.172	0.367
Compound_337	CC(C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C)C(=O)O)C	0.618	0.498	0.206	0.336	0.163	0.644	0.023	0.913	0.406	0.048	0.359
Compound_338	C/C(=C\[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C=C/[C@@H]1NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O	0.623	0.498	0.031	0.336	0.163	0.644	0.023	0.913	0.406	0.052	0.394
Compound_339	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.616	0.529	0.281	0.342	0.157	0.622	0.017	0.904	0.406	0.035	0.346
Compound_340	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)CC1C(=O)Nc2c1cccc2)C(=O)O)\C)C)Cc1ccccc1	0.79	0.478	0.089	0.38	0.44	0.716	0.578	0.921	0.407	0.075	0.602
Compound_341	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C)CCS(=O)C)C(=O)O)\C)C)Cc1ccccc1	0.648	0.508	0.246	0.314	0.246	0.538	0.033	0.952	0.407	0.135	0.382
Compound_342	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.683	0.498	0.281	0.331	0.249	0.747	0.25	0.894	0.406	0.096	0.391
Compound_343	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCS(=O)(=O)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.652	0.498	0.237	0.35	0.22	0.566	0.026	0.944	0.408	0.109	0.372
Compound_344	O[C@@H]1CC[C@H](C=C1)C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C)C(=O)O	0.667	0.438	0.035	0.33	0.206	0.744	0.01	0.927	0.406	0.074	0.414
Compound_345	O=CNc1ccccc1C(=O)C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C)C(=O)O	0.768	0.508	0.109	0.393	0.418	0.71	0.269	0.944	0.407	0.108	0.471
Compound_346	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.759	0.498	0.32	0.298	0.534	0.82	0.061	0.897	0.406	0.09	0.383
Compound_347	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)CO)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.754	0.587	0.108	0.348	0.414	0.754	0.035	0.723	0.404	0.225	0.238
Compound_348	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CSC[C@@H](C(=O)O)N)C)C(=O)O)\C)C)Cc1ccccc1	0.564	0.525	0.051	0.346	0.263	0.499	0.019	0.591	0.405	0.082	0.249
Compound_349	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CSC[C@@H](C(=O)O)N)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.56	0.525	0.051	0.356	0.263	0.499	0.019	0.591	0.402	0.082	0.249
Compound_350	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CSC[C@@H](C(=O)O)N)C)C(=O)O)\C)C)Cc1ccccc1	0.75	0.508	0.006	0.313	0.577	0.705	0.065	0.6	0.405	0.237	0.356
Compound_351	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CS(=O)C[C@@H](C(=O)O)N)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.6	0.535	0.088	0.326	0.182	0.456	0.019	0.722	0.403	0.235	0.269
Compound_352	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CSC[C@@H](C(=O)O)NC(=O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.564	0.515	0.008	0.349	0.263	0.499	0.019	0.737	0.404	0.065	0.273
Compound_353	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CSC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.561	0.525	0.024	0.356	0.465	0.592	0.019	0.591	0.402	0.082	0.249
Compound_354	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C)C(=O)O)\C)C)Cc1ccccc1	0.551	0.525	0.082	0.356	0.465	0.592	0.019	0.623	0.405	0.082	0.249
Compound_355	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CS(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.601	0.535	0.05	0.346	0.354	0.555	0.019	0.72	0.403	0.235	0.269
Compound_356	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C)C(=O)O)\C)C)Cc1ccccc1	0.551	0.515	0.009	0.356	0.465	0.592	0.019	0.623	0.403	0.065	0.273
Compound_357	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.546	0.525	0.082	0.367	0.465	0.592	0.019	0.623	0.4	0.082	0.249
Compound_358	NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC(=O)C)C)/C)C)C(=O)O)C)C(=O)O	0.597	0.508	0.031	0.321	0.174	0.644	0.026	0.929	0.406	0.027	0.391
Compound_359	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C)C(=O)O)\C)C)Cc1ccccc1	0.743	0.508	0.011	0.323	0.732	0.717	0.065	0.621	0.405	0.237	0.356
Compound_360	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CS(=O)C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CC(C)C)C(=O)O)\C)C)Cc1ccccc1	0.589	0.535	0.054	0.346	0.354	0.555	0.019	0.722	0.401	0.235	0.269
Compound_361	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.625	0.515	0.022	0.289	0.157	0.622	0.017	0.813	0.407	0.021	0.476
Compound_362	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.625	0.488	0.037	0.297	0.157	0.622	0.017	0.813	0.407	0.019	0.403
Compound_363	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)CNC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC2=CC[C@H](C=C2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.601	0.495	0.051	0.304	0.195	0.385	0.007	0.918	0.405	0.174	0.524
Compound_364	CSCC[C@@H]1NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C)C(=O)O)C)C(=O)O	0.602	0.478	0.038	0.352	0.333	0.606	0.026	0.88	0.406	0.041	0.421
Compound_365	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC2=CC[C@H](C=C2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.595	0.505	0.08	0.343	0.195	0.385	0.007	0.93	0.405	0.312	0.519
Compound_366	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.592	0.512	0.088	0.27	0.375	0.385	0.019	0.819	0.406	0.122	0.484
Compound_367	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.599	0.588	0.368	0.272	0.138	0.201	0.019	0.819	0.407	0.501	0.514
Compound_368	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.599	0.542	0.495	0.28	0.138	0.201	0.019	0.819	0.407	0.152	0.387
Compound_369	CC[C@@H](C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)C)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C)C(=O)O)C	0.571	0.482	0.088	0.365	0.127	0.203	0.016	0.907	0.406	0.131	0.5
Compound_370	CC[C@@H](C[C@@H]1NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)C(=O)O)C)CC)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C)C(=O)O)C	0.599	0.482	0.056	0.354	0.127	0.203	0.016	0.896	0.406	0.131	0.5
Compound_371	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C(C)C)\C)C)Cc1ccccc1	0.779	0.525	0.057	0.325	0.225	0.412	0.263	0.866	0.407	0.338	0.5
Compound_372	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)Cc1c[nH]c2c1cccc2)C(=O)O)C(C)C)\C)C)Cc1ccccc1	0.8	0.572	0.24	0.356	0.62	0.661	0.849	0.65	0.406	0.344	0.745
Compound_373	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)C(=O)O)\C)C)Cc1ccccc1	0.595	0.571	0.285	0.367	0.155	0.221	0.004	0.771	0.406	0.12	0.468
Compound_374	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)C)C(=O)O)\C)C)Cc1ccccc1	0.538	0.598	0.238	0.355	0.072	0.126	0.002	0.431	0.403	0.16	0.344
Compound_375	CO[C@@H](Cc1ccccc1)C/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C	0.616	0.508	0.281	0.32	0.15	0.63	0.021	0.9	0.407	0.025	0.354
Compound_376	CO[C@H]([C@H](C=CC=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)Cc1ccccc1	0.62	0.461	0.309	0.313	0.157	0.622	0.017	0.962	0.407	0.024	0.284
Compound_377	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CC)C(=O)O)C)C)Cc1ccccc1	0.616	0.478	0.218	0.32	0.157	0.622	0.017	0.893	0.406	0.033	0.401
Compound_378	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)C(=O)O)C)C)Cc1ccccc1	0.649	0.539	0.153	0.368	0.172	0.623	0.008	0.795	0.406	0.037	0.399
Compound_379	CO[C@@H](Cc1ccccc1)C/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C[C@@H]2CC[C@H](C=C2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C	0.68	0.438	0.023	0.315	0.179	0.733	0.012	0.916	0.406	0.074	0.414
Compound_380	CO[C@H]([C@H](C=CC=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C[C@@H]2CC[C@H](C=C2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)Cc1ccccc1	0.691	0.398	0.049	0.327	0.188	0.728	0.012	0.957	0.406	0.055	0.346
Compound_381	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](C[C@@H]2CC[C@H](C=C2)O)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C[C@@H]2CC[C@H](C=C2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.66	0.505	0.072	0.333	0.386	0.631	0.01	0.93	0.405	0.312	0.519
Compound_382	CO[C@H]([C@H](C=C(C=C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C[C@@H]2CC[C@H](C=C2)O)NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)CO)C)C(=O)O)C)C)Cc1ccccc1	0.678	0.498	0.021	0.343	0.141	0.664	0.005	0.48	0.403	0.115	0.283
Compound_383	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCc2ccc(cc2)O)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.735	0.515	0.102	0.339	0.871	0.814	0.147	0.9	0.405	0.367	0.542
Compound_384	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.732	0.478	0.044	0.298	0.534	0.82	0.061	0.897	0.406	0.086	0.442
Compound_385	CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCc2ccc(cc2)O)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1	0.779	0.515	0.102	0.339	0.871	0.814	0.147	0.9	0.405	0.367	0.542
Compound_386	O=C(Nc1cc(F)cc(c1)F)N/N=C(/c1ncccc1C(=O)[O-])\C	0.405	0.574	0.978	0.667	0.27	0.333	0.607	0.571	0.415	0.035	0.34
Compound_387	Nc1ccc(c(c1)N)N=Nc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N=Nc1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)N=Nc1ccc(cc1)N(=O)=O)S(=O)(=O)[O-]	0.594	0.346	0.98	0.357	0.723	0.668	0.482	0.982	0.385	0.067	0.487
Compound_388	[O-]P(=O)(CN(=C)(CP(=O)(O)[O-])CP(=O)([O-])[O-])[O-]	0.47	0.275	0.98	0.357	0.423	0.213	0.019	0.982	0.523	0.279	0.48
Compound_389	CCCC(CC(Cc1ccc(c(c1)C=N)O)C)C	0.895	0.374	0.294	0.589	0.211	0.891	0.016	0.942	0.734	0.748	0.859
Compound_390	[O-]C(C)C	0.806	0.123	0.44	0.568	0.028	0.017	0.993	0.869	0.5	0.987	0.931
Compound_391	[O-]C(=O)C	0.769	0.059	0.129	0.298	0.033	0.008	0.9	0.891	0.776	0.922	0.889
Compound_392	OCCOC(COC(CN(CC(OCC(OCCO)C)C)CCN(CC(OCC(OCCO)C)C)CC(OCC(OCCO)C)C)C)C	0.03	0.138	0.011	0.135	0.22	0.341	0.041	0.866	0.223	0.051	0.194
Compound_393	CC(CCCCCCCOC(=O)CSCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C	0.58	0.295	0.429	0.701	0.833	0.96	0.126	0.873	0.489	0.857	0.5
Compound_394	C=CS(=O)(=O)CCOCCNc1nc(nc(n1)F)Nc1cc(cc2c1[O]=[Cu]13(=C)=[O]C(=O)c4c([N]3=N[C-](N=C21)c1ccccc1)cc(cc4)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.579	0.619	0.429	0.701	0.663	0.653	0.98	0.873	0.414	0.37	0.625
Compound_395	Nc1c(N=Nc2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-])cc(c(c1N=Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)[O-])N)S(=O)(=O)[O-]	0.512	0.365	0.841	0.435	0.727	0.659	0.057	0.886	0.381	0.101	0.228
Compound_396	OC[C@@H]([C@H]1OC(=O)C(=C1O)OP(=O)([O-])[O-])O	0.673	0.419	0.203	0.459	0.103	0.195	0.067	0.023	0.283	0.599	0.286
Compound_397	Clc1nc(Nc2ccc(c(c2)N=Nc2c(N)c3c(cc2S(=O)(=O)O)cc(c(c3O)N=Nc2ccc3c(c2S(=O)(=O)[O-])cccc3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)nc(n1)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O	0.668	0.473	0.846	0.515	0.74	0.663	0.616	0.98	0.407	0.277	0.591
Compound_398	Nc1nc(N)c(c(n1)N)N=Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.631	0.633	0.994	0.589	0.66	0.741	0.894	0.954	0.487	0.027	0.394
Compound_399	CCCCCCCCCCCCCCCCCCNCCN1CCNCC1	0.118	0.22	0.007	0.221	0.016	0.176	0.028	0.541	0.829	0.189	0.063
Compound_400	O=C1CN2CCCN3CC(=O)[O]=[Fe](=[O]1)(=[O]C1C(=CC=CC1)C2)[O-]c1ccccc1C3	0.711	0.689	0.007	0.221	0.091	0.65	0.013	0.541	0.306	0.573	0.607
Compound_401	Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)[O-])SCCOS(=O)(=O)[O-])cc(c(c2O)/N=N/c1ccc(cc1)SCCOS(=O)(=O)[O-])S(=O)(=O)[O-]	0.505	0.509	0.998	0.632	0.728	0.695	0.617	0.991	0.381	0.218	0.339
Compound_402	CC([Si](OC(=O)C)(OC(=O)C)C)C	0.899	0.048	0.192	0.52	0.119	0.113	0.981	0.843	0.841	0.225	0.828
Compound_403	CCn1c(=O)c(N=Nc2cc(ccc2S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2ccc(cc2)S(=O)(=O)O)c(c(c1O)CS(=O)(=O)O)C	0.572	0.448	0.989	0.512	0.798	0.634	0.329	0.439	0.413	0.332	0.538
Compound_404	Clc1nc(NCc2cccc(c2)Nc2nc(Cl)nc(n2)Nc2cc(cc3c2c(O)c(c(c3)S(=O)(=O)[O-])N=Nc2ccc3c(c2S(=O)(=O)[O-])cccc3S(=O)(=O)[O-])S(=O)(=O)[O-])nc(n1)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccc2c(c1S(=O)(=O)[O-])cccc2S(=O)(=O)[O-])S(=O)(=O)[O-]	0.807	0.438	0.986	0.556	0.757	0.712	0.539	0.993	0.453	0.104	0.529
Compound_405	CCC(c1cc(cc(c1O)n1[nH]c2c([nH]1)cccc2)S(=O)(=O)[O-])C	0.306	0.585	0.057	0.535	0.492	0.684	0.562	0.747	0.572	0.396	0.33
Compound_406	[O-]C(=O)CN(CC(=O)[O-])CCCN(CC(=O)[O-])CC(=O)[O-]	0.062	0.136	0.024	0.085	0.121	0.013	0.022	0.349	0.072	0.801	0.795
Compound_407	O=C1O[Cr]234(OC(=O)c5c([N]4=Nc4c(O2)c(N=Nc2ccc(cc2C)S(=O)(=O)[O-])c(cc4)O)cccc5)Oc2c(N=[N]3c3c1cccc3)ccc(c2N=Nc1ccc(cc1C)S(=O)(=O)[O-])O	0.692	0.498	0.024	0.085	0.707	0.653	0.665	0.349	0.462	0.126	0.609
Compound_408	[N+]1CC[N+]CC1	0.027	0.078	0.417	0.511	0.006	0.001	0.0	0.562	0.352	0.027	0.144
Compound_409	CCn1c(O)c(N=Nc2cc(ccc2S(=O)(=O)[O-])Nc2nc(Nc3ccc(cc3)S(=O)(=O)CCOS(=O)(=O)O)nc(n2)Cl)c(c(c1=O)C(=O)N)C	0.597	0.508	0.443	0.389	0.804	0.633	0.596	0.378	0.406	0.037	0.561
Compound_410	CCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.843	0.212	0.161	0.373	0.767	0.122	0.993	0.935	0.445	0.995	0.15
Compound_411	[O-]P(=O)(c1ccccc1)[O-]	0.893	0.27	0.565	0.61	0.177	0.02	0.999	0.422	0.926	0.985	0.69
Compound_412	[O-]C(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.021	0.036	0.014	0.046	0.168	0.007	0.002	0.85	0.945	0.114	0.598
Compound_413	C[O](=[B](F)(F)F)C	0.88	0.155	0.014	0.046	0.649	0.731	0.944	0.85	0.894	0.983	0.627
Compound_414	CCCCOCCCN1C(=Nc2c(S1(=O)=O)cccc2)C(N1C(=O)OC(C1=O)(C)C)C(=O)Nc1cc(ccc1SCC(CCCC)CC)C(C)(C)C	0.655	0.779	0.083	0.526	0.7	0.583	0.75	0.577	0.383	0.972	0.263
Compound_415	[O-]S(=O)(=O)c1cc(cc2c1nc([nH]2)c1ccc(cc1)c1nc2c([nH]1)cc(cc2S(=O)(=O)[O-])S(=O)(=O)O)S(=O)(=O)O	0.519	0.436	0.968	0.522	0.711	0.653	0.162	0.854	0.366	0.131	0.298
Compound_416	[O-]P(OCC)O	0.828	0.087	0.165	0.459	0.053	0.017	0.885	0.004	0.28	0.756	0.5
Compound_417	CC1=CCC(C=C1)S(=O)(=O)O	0.764	0.42	0.641	0.495	0.162	0.215	0.961	0.955	0.433	0.902	0.09
Compound_418	CON=C(c1ccco1)C(=O)[O-]	0.134	0.231	0.177	0.392	0.038	0.493	0.69	0.841	0.439	0.894	0.855
Compound_419	O=C(OCC(=O)OCCN1C(=O)c2c(C1=O)cccc2)CCNc1ccc(cc1Cl)/N=N/c1ccc(cc1)N(=O)=O	0.756	0.596	0.986	0.577	0.797	0.744	0.964	0.643	0.407	0.426	0.269
Compound_420	O=C(C(=C)C)Nc1ccc(cc1)S(=O)(=O)N	0.188	0.285	0.02	0.336	0.074	0.147	0.011	0.144	0.209	0.092	0.215
Compound_421	[O-]S(=O)(=O)c1cc2O[Cr]3(Oc4c(N=Nc2c2c1cccc2)c1ccccc1cc4)Oc1ccc2c(c1N=Nc1c(O3)cc(c3c1cccc3)S(=O)(=O)[O-])cccc2	0.775	0.507	0.97	0.505	0.837	0.655	0.3	0.982	0.47	0.834	0.612
Compound_422	O=C1C=CC(=N[N-]c2ccccc2C(=O)[O-])C(=O)/C/1=N/Nc1cccc2c1cccc2S(=O)(=O)[O-]	0.603	0.478	0.567	0.431	0.693	0.743	0.933	0.424	0.429	0.376	0.237
Compound_423	[O-]c1cc(ccc1N=[N](c1c([O-])c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)[O-])[Cu+2])C1=CC2C(C=C1)N=[N]([Cu+]O2)c1c([O-])c2c(N)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)O	0.686	0.619	0.567	0.431	0.764	0.719	0.863	0.424	0.471	0.066	0.479
Compound_424	CC(COC(COC1CC2C(C1(C)CC2)(C)C)C)O	0.897	0.633	0.009	0.458	0.722	0.346	0.537	0.538	0.308	0.898	0.378
Compound_425	c1ccc(cc1)CN1CCN(CCN(CCN(CC1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1	0.031	0.523	0.183	0.071	0.613	0.981	0.911	0.802	0.584	0.479	0.462
Compound_426	N#Cc1c(Nc2ccc(cc2)S(=O)(=O)[O-])nc(c(c1C)/N=N/c1sc(c(n1)Cc1ccc2c(c1)cccc2)/N=N/c1cc2c(c(c1)S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])Nc1ccc(cc1)S(=O)(=O)[O-]	0.621	0.571	0.999	0.675	0.715	0.66	0.989	0.992	0.437	0.081	0.396
Compound_427	CCCC1OCCC(C1)(C)OC(=O)C	0.945	0.366	0.014	0.543	0.089	0.025	0.964	0.764	0.739	0.956	0.672
Compound_428	O=C1C=CC(=CC1=NN=C1C(=O)C=Cc2c1cccc2)N([O-])[O-]	0.461	0.568	0.916	0.53	0.635	0.955	0.891	0.561	0.808	0.95	0.955
Compound_429	[O-]S(=O)(=O)c1cccc2c1cc(N=Nc1cc3[O]=[Cu]4=[O]c5c(N=[N]4c3cc1C)c(cc1c5ccc(c1)Nc1ccccc1)S(=O)(=O)[O-])cc2S(=O)(=O)[O-]	0.65	0.527	0.916	0.53	0.754	0.76	0.777	0.561	0.511	0.672	0.449
Compound_430	Oc1cc2O[Fe]3N(c2cc1N=Nc1cccc2c1ccc(c2)S(O)(O)O)Nc1c(O3)c(cc(c1)N(=O)=O)N(=O)=O	0.654	0.49	0.475	0.592	0.869	0.654	0.714	0.758	0.495	0.537	0.604
Compound_431	[N-]=C=[N-]	0.859	0.291	0.467	0.507	0.602	0.042	0.191	0.93	0.911	0.989	0.88
Compound_432	CC(C1OC[C@H](CO1)C(=O)O)C	0.383	0.114	0.083	0.185	0.084	0.051	0.384	0.759	0.119	0.78	0.146
Compound_433	N#Cc1cccc(c1C#N)N(=O)=O	0.979	0.212	0.8	0.609	0.641	0.138	0.998	0.993	0.715	0.997	0.956
Compound_434	COc1cc2c(cc1OC)C(=O)C(=Cc1ccccc1)C2(C)C	0.729	0.457	0.849	0.65	0.785	0.947	0.523	0.885	0.714	0.84	0.986
Compound_435	C1O[Na+]234[N](C1)(CCO2)CC[O]3[Na+]123[O]4CC[N]3(CCO2)CCO1	0.179	0.378	0.849	0.65	0.527	0.655	0.073	0.885	0.366	0.5	0.527
Compound_436	O=C1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2C(=O)O)C)N1)C	0.398	0.818	0.008	0.311	0.594	0.833	0.008	0.839	0.081	0.093	0.063
Compound_437	n1nnc([n-]1)Nc1[nH]nnn1	0.382	0.289	0.561	0.468	0.39	0.306	0.003	0.002	0.748	0.265	0.714
Compound_438	CCOC(=O)C1CCC(=O)N1C(=O)OC(C)(C)C	0.078	0.453	0.066	0.598	0.096	0.18	0.165	0.133	0.396	0.718	0.467
Compound_439	COS(=O)(=O)[O-]	0.848	0.103	0.142	0.329	0.351	0.132	0.93	0.923	0.266	0.984	0.261
Compound_440	COc1ccc(cc1C(c1ccccc1)CCN(C(C)C)C(C)C)C	0.148	0.422	0.103	0.134	0.046	0.958	0.003	0.006	0.466	0.007	0.119
Compound_441	Cc1ccc(cc1)S(=O)(=O)OC1[C@@H]2OCC(O2)[C@@H]2C1O2	0.763	0.627	0.757	0.574	0.672	0.421	0.29	0.696	0.382	0.053	0.356
Compound_442	ClCS(=O)(=O)O	0.722	0.155	0.055	0.47	0.561	0.316	0.885	0.998	0.595	0.385	0.272
Compound_443	BrCS(=O)(=O)O	0.671	0.123	0.055	0.47	0.487	0.364	0.877	0.998	0.43	0.737	0.333
Compound_444	ClC(S(=O)(=O)O)Cl	0.717	0.127	0.035	0.46	0.59	0.442	0.778	0.998	0.374	0.836	0.176
Compound_445	BrC(S(=O)(=O)O)Br	0.665	0.125	0.035	0.46	0.488	0.416	0.877	0.998	0.469	0.947	0.242
Compound_446	ClC(S(=O)(=O)O)Br	0.751	0.137	0.035	0.46	0.574	0.385	0.955	0.998	0.464	0.923	0.26
Compound_447	ClC(S(=O)(=O)O)(Cl)Cl	0.771	0.127	0.052	0.47	0.646	0.365	0.618	0.998	0.117	0.836	0.176
Compound_448	BrC(S(=O)(=O)O)(Br)Br	0.754	0.125	0.052	0.47	0.563	0.365	0.832	0.998	0.5	0.947	0.242
Compound_449	ClC(S(=O)(=O)O)(Br)Cl	0.813	0.137	0.052	0.47	0.647	0.399	0.815	0.998	0.338	0.923	0.26
Compound_450	ClC(S(=O)(=O)O)(Br)Br	0.797	0.137	0.052	0.47	0.616	0.371	0.907	0.998	0.491	0.923	0.26
Compound_451	CCCCCn1cc[n+](c1)C	0.752	0.786	0.136	0.791	0.696	0.78	0.017	0.996	0.868	0.34	0.44
Compound_452	CCCCCCCCn1cc[n+](c1)C	0.947	0.899	0.136	0.791	0.785	0.898	0.107	0.996	0.962	0.722	0.47
Compound_453	CCCCCCCCCCn1cc[n+](c1)C	0.952	0.899	0.136	0.791	0.785	0.898	0.107	0.996	0.962	0.722	0.47
Compound_454	C=CCn1cc[n+](c1)C	0.447	0.203	0.693	0.685	0.566	0.19	0.014	0.991	0.341	0.426	0.63
Compound_455	OCCn1cc[n+](c1)C	0.15	0.159	0.058	0.548	0.321	0.06	0.006	0.665	0.244	0.008	0.315
Compound_456	C[n+]1ccn(c1)Cc1ccccc1	0.082	0.259	0.658	0.635	0.001	0.194	0.0	0.744	0.311	0.041	0.221
Compound_457	C[n+]1ccn(c1)CCCCS(=O)(=O)O	0.058	0.291	0.027	0.429	0.082	0.233	0.0	0.213	0.337	0.021	0.413
Compound_458	CC[n+]1ccc(cc1)C	0.306	0.217	0.802	0.581	0.014	0.372	0.003	0.923	0.697	0.415	0.181
Compound_459	COC(=O)c1cc[n+](cc1)CC	0.201	0.321	0.854	0.579	0.019	0.153	0.01	0.072	0.478	0.016	0.244
Compound_460	c1ccc(cc1)C[n+]1ccccc1	0.581	0.501	0.558	0.574	0.039	0.83	0.01	0.863	0.917	0.87	0.567
Compound_461	c1cc[n+](cc1)c1ccccc1	0.71	0.617	0.858	0.626	0.201	0.66	0.389	0.913	0.979	0.906	0.914
Compound_462	CCC[N+]1(C)CCCCC1	0.45	0.433	0.042	0.627	0.014	0.097	0.007	0.436	0.511	0.023	0.097
Compound_463	CCCC[N+]1(C)CCCCC1	0.455	0.433	0.042	0.664	0.014	0.097	0.007	0.767	0.569	0.023	0.097
Compound_464	CCC[N+](C)(C)C	0.257	0.511	0.038	0.57	0.019	0.031	0.011	0.154	0.127	0.032	0.129
Compound_465	CCCCCCCCCC[N+](C1CCCCC1)(C)C	0.924	0.548	0.047	0.65	0.063	0.912	0.958	0.767	0.784	0.059	0.169
Compound_466	CCCCCCCCCCCC[N+](C1CCCCC1)(C)C	0.924	0.548	0.047	0.65	0.063	0.912	0.958	0.767	0.784	0.059	0.169
Compound_467	c1ccc(cc1)[N+](c1ccccc1)(c1ccccc1)c1ccccc1	0.973	0.667	0.901	0.557	0.982	0.949	0.979	0.479	0.578	0.97	0.7
Compound_468	COCC[N+](CC)(CC)C	0.108	0.447	0.059	0.544	0.025	0.01	0.008	0.021	0.09	0.005	0.184
Compound_469	CCCC[P+](CCCC)(CCCC)C	0.761	0.655	0.309	0.589	0.841	0.404	0.981	0.987	0.938	0.997	0.91
Compound_470	CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC	0.957	0.67	0.327	0.598	0.925	0.898	1.0	0.988	1.0	1.0	0.918
Compound_471	CC[N+]1(C)CCCC1	0.248	0.606	0.035	0.597	0.018	0.055	0.028	0.081	0.488	0.052	0.261
Compound_472	CCCC[N+]1(C)CCCC1	0.299	0.606	0.038	0.627	0.033	0.079	0.025	0.377	0.58	0.052	0.261
Compound_473	CCCCCCCC[N+]1(C)CCCC1	0.911	0.606	0.042	0.664	0.045	0.385	0.16	0.767	0.823	0.052	0.261
Compound_474	C1CC[N+](C1)(c1ccccc1)c1ccccc1	0.65	0.492	0.558	0.523	0.662	0.725	0.928	0.57	0.391	0.044	0.287
Compound_475	c1ccc(cc1)[N+]1(C=CC=N1)c1ccccc1	0.553	0.607	0.965	0.65	0.315	0.476	0.761	0.903	0.511	0.06	0.533
Compound_476	c1ccc(cc1)c1nccs1	0.725	0.73	0.868	0.792	0.131	0.847	0.86	0.821	0.981	0.847	0.536
Compound_477	OCC[n+]1cscc1	0.035	0.279	0.266	0.563	0.033	0.121	0.0	0.835	0.375	0.624	0.654
Compound_478	C[S+](C)C	0.785	0.118	0.36	0.502	0.284	0.081	0.954	0.515	0.821	0.994	0.901
Compound_479	[SH2+]c1ccccc1	0.936	0.313	0.819	0.559	0.073	0.127	0.998	0.822	0.937	0.999	0.756
Compound_480	c1ccc(cc1)[SH+]c1ccccc1	0.743	0.551	0.763	0.532	0.583	0.668	0.997	0.938	0.869	0.999	0.946
Compound_481	c1ccc(cc1)[S+](c1ccccc1)c1ccccc1	0.743	0.529	0.736	0.557	0.915	0.925	0.999	0.853	0.869	0.999	0.902
Compound_482	c1ccc(cc1)[C+](c1ccccc1)c1ccccc1	0.941	0.578	0.736	0.557	0.795	0.87	1.0	0.853	0.758	0.998	0.973
Compound_483	CCC[N+](CCC)(CCC)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.648	0.734	0.728	0.7	0.282	0.221	0.609	0.332	0.183	0.789	0.367
Compound_484	CCCC[N+](CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(CCCC)CCCC	0.639	0.735	0.728	0.733	0.348	0.322	0.973	0.384	0.28	0.842	0.336
Compound_485	CCC[N+](CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC)CCC	0.91	0.734	0.728	0.7	0.255	0.398	0.992	0.332	0.188	0.789	0.367
Compound_486	FC(CC[n+]1ncn(c1)C)(F)F	0.111	0.46	0.021	0.546	0.058	0.145	0.025	0.51	0.341	0.001	0.488
Compound_487	CCCCn1cn[n+](c1)CCC(F)(F)F	0.541	0.601	0.033	0.524	0.095	0.446	0.65	0.907	0.676	0.223	0.682
Compound_488	CCCCCCCn1cn[n+](c1)CCC(F)(F)F	0.765	0.716	0.033	0.544	0.117	0.664	0.801	0.968	0.735	0.329	0.654
Compound_489	CCCCCCCCCCn1cn[n+](c1)CCC(F)(F)F	0.836	0.716	0.033	0.544	0.135	0.695	0.937	0.968	0.784	0.329	0.654
Compound_490	FC(C(C(C(F)(F)F)(F)F)(F)F)(CC[n+]1ncn(c1)C)F	0.186	0.46	0.137	0.655	0.194	0.386	0.031	0.155	0.295	0.001	0.488
Compound_491	CCCCn1cn[n+](c1)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.658	0.601	0.199	0.659	0.213	0.649	0.66	0.585	0.352	0.223	0.682
Compound_492	CCCCCCCn1cn[n+](c1)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.749	0.716	0.199	0.674	0.241	0.686	0.801	0.831	0.408	0.329	0.654
Compound_493	CCCCCCCCCCn1cn[n+](c1)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.818	0.716	0.199	0.674	0.301	0.748	0.991	0.831	0.446	0.329	0.654
Compound_494	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[n+]1ncn(c1)C)F	0.303	0.46	0.137	0.655	0.229	0.453	0.1	0.155	0.297	0.001	0.488
Compound_495	CCCCn1cn[n+](c1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.77	0.601	0.199	0.659	0.244	0.694	0.893	0.585	0.353	0.223	0.682
Compound_496	CCCCCCCn1cn[n+](c1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.809	0.716	0.199	0.674	0.301	0.748	0.991	0.831	0.411	0.329	0.654
Compound_497	CCCCCCCCCCn1cn[n+](c1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.818	0.716	0.199	0.674	0.301	0.748	0.991	0.831	0.446	0.329	0.654
Compound_498	Cn1nc([n+](c1C)C)C(F)(F)F	0.513	0.482	0.164	0.618	0.147	0.27	0.221	0.877	0.82	0.498	0.601
Compound_499	Cn1nc([n+](c1C)C)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.651	0.482	0.509	0.675	0.375	0.669	0.756	0.227	0.328	0.498	0.601
Compound_500	FC(C[n+]1ccc(cc1)C)(F)F	0.413	0.307	0.761	0.701	0.074	0.327	0.534	0.943	0.623	0.356	0.286
Compound_501	FC(CC[n+]1ccc(cc1)c1cc[nH+]cc1)(F)F	0.315	0.634	0.327	0.584	0.157	0.727	0.13	0.887	0.54	0.018	0.656
Compound_502	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[n+]1ccc(cc1)c1cc[nH+]cc1)F	0.736	0.634	0.781	0.68	0.396	0.734	0.13	0.732	0.297	0.018	0.656
Compound_503	FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[n+]1ccc(cc1)c1cc[nH+]cc1)F	0.753	0.634	0.781	0.68	0.396	0.734	0.13	0.732	0.297	0.018	0.656
Compound_504	FC(CC[n+]1ccc(cc1)c1cc[n+](cc1)CCC(F)(F)F)(F)F	0.419	0.64	0.302	0.601	0.273	0.801	0.916	0.888	0.541	0.023	0.68
Compound_505	FC(CC[n+]1ccncc1)(F)F	0.262	0.43	0.174	0.527	0.53	0.16	0.949	0.505	0.718	0.032	0.553
Compound_506	FS(C(C(CCCC[n+]1ccccc1)(F)F)(F)F)(F)(F)(F)F	0.801	0.531	0.793	0.707	0.468	0.535	0.971	0.929	0.69	0.585	0.541
Compound_507	FC(C(S(F)(F)(F)(F)F)(F)F)(CC[n+]1ccccc1)F	0.554	0.461	0.793	0.687	0.445	0.462	0.971	0.899	0.691	0.396	0.555
Compound_508	FC(C(C(C(S(F)(F)(F)(F)F)(F)F)(F)F)(F)F)(CC[n+]1ccccc1)F	0.711	0.461	0.793	0.68	0.468	0.535	0.971	0.862	0.673	0.396	0.555
Compound_509	FC(CC[n+]1ccccc1)(F)F	0.513	0.358	0.273	0.567	0.156	0.367	0.962	0.923	0.718	0.14	0.348
Compound_510	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[n+]1ccccc1)F	0.895	0.358	0.735	0.69	0.477	0.563	0.953	0.605	0.207	0.14	0.348
Compound_511	FC(S(F)(F)(F)(F)F)(C(CCCC[n+]1ccccn1)(F)F)F	0.715	0.562	0.508	0.666	0.491	0.273	0.959	0.678	0.743	0.073	0.584
Compound_512	FC(C(S(F)(F)(F)(F)F)(F)F)(CC[n+]1ccccn1)F	0.673	0.552	0.508	0.636	0.475	0.21	0.959	0.526	0.748	0.043	0.601
Compound_513	FS(C(C(C(C(CC[n+]1ccccn1)(F)F)(F)F)(F)F)(F)F)(F)(F)(F)F	0.706	0.552	0.508	0.636	0.491	0.273	0.959	0.475	0.738	0.043	0.601
Compound_514	FC(CC[n+]1ccccn1)(F)F	0.639	0.533	0.1	0.57	0.198	0.103	0.921	0.593	0.814	0.011	0.586
Compound_515	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[n+]1ccccn1)F	0.833	0.533	0.428	0.652	0.5	0.269	0.916	0.302	0.435	0.011	0.586
Compound_516	Cn1cc[n+](c1)CCCCC(C(S(F)(F)(F)(F)F)(F)F)(F)F	0.779	0.513	0.413	0.676	0.895	0.777	0.8	0.376	0.617	0.041	0.606
Compound_517	Cn1cc[n+](c1)CCC(C(S(F)(F)(F)(F)F)(F)F)(F)F	0.651	0.453	0.413	0.654	0.872	0.553	0.756	0.285	0.617	0.027	0.622
Compound_518	Cn1cc[n+](c1)CCC(C(C(C(S(F)(F)(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.742	0.453	0.413	0.653	0.895	0.777	0.8	0.251	0.601	0.027	0.622
Compound_519	CCCn1nc[n+](c1)CCCCC(C(S(F)(F)(F)(F)F)(F)F)(F)F	0.571	0.537	0.081	0.685	0.252	0.695	0.604	0.916	0.597	0.467	0.602
Compound_520	CCCn1nc[n+](c1)CCC(C(S(F)(F)(F)(F)F)(F)F)(F)F	0.464	0.487	0.081	0.675	0.215	0.538	0.691	0.801	0.598	0.33	0.617
Compound_521	CCCn1nc[n+](c1)CCC(C(C(C(S(F)(F)(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.556	0.487	0.081	0.682	0.23	0.679	0.701	0.708	0.587	0.33	0.617
Compound_522	CCCn1nc[n+](c1)CCC(F)(F)F	0.478	0.537	0.01	0.558	0.101	0.396	0.65	0.82	0.62	0.16	0.672
Compound_523	CCCn1nc[n+](c1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.779	0.537	0.06	0.691	0.244	0.694	0.893	0.428	0.316	0.16	0.672
Compound_524	FC(COCC[N+]1(C)CCOCC1)(F)F	0.142	0.429	0.054	0.599	0.128	0.017	0.673	0.382	0.227	0.039	0.243
Compound_525	FC(C(C(C(COCC[N+]1(C)CCOCC1)(F)F)(F)F)(F)F)F	0.256	0.439	0.322	0.544	0.315	0.046	0.81	0.373	0.279	0.023	0.221
Compound_526	O=C(C(F)(F)F)NS(=O)(=O)C(F)(F)F	0.275	0.133	0.144	0.42	0.184	0.06	0.228	0.759	0.401	0.768	0.865
Compound_527	FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F	0.744	0.158	0.138	0.674	0.564	0.168	0.609	0.993	0.441	0.971	0.898
Compound_528	FC(S(=O)(=O)[N-]S(=O)(=O)C(C(F)(F)F)(F)F)(C(F)(F)F)F	0.75	0.158	0.356	0.68	0.216	0.073	0.611	0.951	0.242	0.971	0.898
Compound_529	FC(C(C(C(COS(=O)(=O)O)(F)F)(F)F)(F)F)F	0.952	0.134	0.29	0.492	0.343	0.254	0.935	0.984	0.205	0.561	0.316
Compound_530	OS(=O)(=O)OCCCC(C(F)(F)F)(F)F	0.911	0.09	0.162	0.568	0.343	0.254	0.935	0.826	0.098	0.262	0.352
Compound_531	Fc1c(NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)c(F)c(c(c1F)F)F	0.567	0.44	0.474	0.73	0.35	0.228	0.923	0.473	0.374	0.96	0.855
Compound_532	FC([B-](F)(F)F)(F)F	0.926	0.153	0.433	0.615	0.793	0.711	0.706	0.883	0.832	1.0	0.627
Compound_533	F[B-](C(C(F)(F)F)(F)F)(F)F	0.93	0.153	0.726	0.635	0.681	0.738	0.706	0.394	0.263	1.0	0.627
Compound_534	F[B-](C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.932	0.153	0.745	0.648	0.698	0.742	0.973	0.303	0.246	1.0	0.627
Compound_535	F[B-](C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.937	0.153	0.745	0.662	0.678	0.744	0.974	0.182	0.246	1.0	0.627
Compound_536	C[B-](F)(F)F	0.852	0.171	0.428	0.635	0.742	0.74	0.913	0.935	0.937	0.998	0.626
Compound_537	F[B-](CC)(F)F	0.836	0.173	0.287	0.641	0.549	0.786	0.913	0.93	0.894	0.999	0.624
Compound_538	F[B-](C=C)(F)F	0.898	0.158	0.705	0.698	0.646	0.789	0.939	0.991	0.912	1.0	0.621
Compound_539	F[B-](CCC)(F)F	0.826	0.203	0.287	0.673	0.578	0.792	0.99	0.942	0.893	0.999	0.623
Compound_540	CCCC[B-](F)(F)F	0.848	0.24	0.309	0.705	0.578	0.798	0.986	0.986	0.942	0.999	0.622
Compound_541	CCCCC[B-](F)(F)F	0.914	0.26	0.309	0.705	0.585	0.801	0.986	0.986	0.938	0.999	0.621
Compound_542	F[P-](F)(F)(F)(F)F	0.9	0.245	0.433	0.603	0.743	0.066	0.706	0.984	0.974	1.0	0.731
Compound_543	F[P-](C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F	0.931	0.293	0.726	0.635	0.68	0.101	0.717	0.325	0.263	1.0	0.665
Compound_544	FC(S(=O)(=O)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)(F)F	0.773	0.146	0.184	0.645	0.577	0.375	0.669	0.983	0.59	0.986	0.632
Compound_545	F[Sb-](F)(F)(F)(F)F	0.913	0.268	0.433	0.603	0.737	0.829	0.706	0.984	0.974	1.0	0.744
Compound_546	N#CC(C#N)C#N	0.905	0.334	0.221	0.5	0.102	0.033	0.905	0.908	0.755	0.997	0.94
Compound_547	N#C[B-](C#N)(C#N)C#N	0.856	0.402	0.305	0.503	0.701	0.752	0.075	0.979	0.953	0.98	0.634
Compound_548	FS(=O)(=O)NS(=O)(=O)F	0.706	0.168	0.343	0.397	0.75	0.128	0.51	0.996	0.474	0.941	0.695
Compound_549	CC(CP(C(C)(C)C)C(C)(C)C)(C)C	0.722	0.115	0.18	0.438	0.84	0.432	0.95	0.481	0.885	0.989	0.748
Compound_550	ClC(N(=O)=O)(Br)Cl	0.853	0.104	0.353	0.599	0.679	0.272	0.818	0.995	0.693	0.989	0.884
Compound_551	ClC(I)I	0.918	0.21	0.324	0.575	0.782	0.32	0.932	0.983	0.724	1.0	0.811
Compound_552	C[NH+]1CCCC1c1ccc[n+](c1)C	0.108	0.357	0.225	0.471	0.014	0.516	0.0	0.782	0.375	0.004	0.067
Compound_553	C[N+]1=CCCC1c1cccnc1	0.185	0.414	0.177	0.514	0.012	0.258	0.001	0.01	0.376	0.002	0.278
Compound_554	C[n+]1cccc(c1)C1CCC(=O)N1C	0.134	0.225	0.092	0.518	0.004	0.314	0.003	0.066	0.369	0.001	0.226
Compound_555	CN1CCCC1c1ccc[n+](c1)C1OC(C(=O)[O-])C(C(C1O)O)O	0.465	0.526	0.006	0.227	0.018	0.197	0.005	0.069	0.085	0.048	0.236
Compound_556	COC(=O)C1OC([n+]2cccc(c2)C2CCC(=O)N2C)C(C(C1O)O)O	0.513	0.681	0.007	0.51	0.017	0.269	0.02	0.574	0.174	0.022	0.568
Compound_557	OC(=O)CCCc1cccnc1	0.059	0.144	0.249	0.159	0.032	0.104	0.017	-0.0	0.235	0.001	0.003
Compound_558	CN1CCCC1(O)c1cccnc1	0.06	0.444	0.037	0.097	0.012	0.151	0.001	0.008	0.196	0.0	0.078
Compound_559	OCN1C(=O)CCC1c1cccnc1	0.099	0.357	0.014	0.446	0.005	0.261	0.002	0.0	0.145	0.002	0.206
Compound_560	O=C1CCC(N1C)(O)c1cccnc1	0.078	0.288	0.053	0.481	0.008	0.181	0.004	0.001	0.322	0.0	0.082
Compound_561	CNCCCC(=O)c1cccnc1	0.009	0.231	0.031	0.237	0.011	0.043	0.001	0.062	0.067	0.001	0.018
Compound_562	NC(=O)CCC(=O)c1cccnc1	0.021	0.172	0.061	0.289	0.017	0.09	0.001	0.004	0.129	0.005	0.04
Compound_563	O=C1CCC(N1)c1cccnc1	0.05	0.235	0.13	0.318	0.004	0.171	0.001	0.003	0.367	0.012	0.074
Compound_564	OC(=O)C1OC(OC2CC(N(C2=O)C)c2cccnc2)C(C(C1O)O)O	0.27	0.604	0.005	0.439	0.023	0.338	0.018	0.038	0.128	0.06	0.518
Compound_565	OC(=O)CC=Cc1cccnc1	0.483	0.207	0.358	0.235	0.028	0.077	0.021	0.015	0.25	0.01	0.046
Compound_566	OC(=O)CCC(c1cccnc1)O	0.04	0.236	0.15	0.14	0.024	0.08	0.042	0.003	0.117	0.0	0.009
Compound_567	O=NN(C(c1cccnc1)CCC(=O)O)C	0.075	0.368	0.171	0.151	0.034	0.156	0.003	0.019	0.159	0.004	0.155
Compound_568	Oc1ccc(n1C)c1cccnc1	0.777	0.524	0.749	0.661	0.527	0.52	0.002	0.933	0.751	0.192	0.216
Compound_569	C1COC(C1)c1cccnc1	0.119	0.287	0.316	0.561	0.016	0.149	0.007	0.022	0.395	0.362	0.602
Compound_570	OCN(CCCC(c1cccnc1)O)N=O	0.043	0.278	0.066	0.377	0.025	0.339	0.008	0.01	0.166	0.008	0.179
Compound_571	O=CCCC(c1cccnc1)O	0.04	0.181	0.141	0.4	0.023	0.281	0.022	0.004	0.232	0.001	0.031
Compound_572	O=NN(CCCC(c1ccc[n+](c1)C1OC(C(=O)[O-])C(C(C1O)O)O)O)C	0.434	0.477	0.02	0.431	0.036	0.297	0.003	0.32	0.101	0.164	0.263
Compound_573	O=NN(CCCC(c1cccnc1)OC1OC(C(=O)O)C(C(C1O)O)O)C	0.22	0.546	0.012	0.456	0.047	0.4	0.012	0.087	0.096	0.111	0.379
Compound_574	O=NN(C(CCC(c1cccnc1)O)O)C	0.042	0.368	0.024	0.403	0.021	0.193	0.008	0.009	0.172	0.004	0.142
Compound_575	OCCCC(c1cccnc1)O	0.059	0.2	0.146	0.458	0.02	0.117	0.032	0.004	0.077	0.001	0.092
Compound_576	OCCCC(c1cccnc1)N(N=O)C	0.083	0.377	0.035	0.446	0.024	0.396	0.001	0.009	0.105	0.001	0.192
Compound_577	O=NN(CCCC(c1cccn(=O)c1)O)C	0.051	0.424	0.129	0.388	0.033	0.214	0.011	0.278	0.185	0.005	0.465
Compound_578	N#[N+]CCCC(=O)c1cccnc1	0.04	0.254	0.308	0.481	0.028	0.082	0.002	0.016	0.052	0.008	0.395
Compound_579	CC(C(=O)c1cccnc1)O	0.025	0.179	0.096	0.5	0.006	0.081	0.013	0.001	0.034	0.007	0.123
Compound_580	O=NN(C(CCC(=O)c1cccnc1)O)C	0.033	0.354	0.039	0.446	0.036	0.158	0.017	0.016	0.031	0.004	0.104
Compound_581	O=CCCC(=O)c1cccnc1	0.093	0.237	0.314	0.442	0.044	0.272	0.012	0.029	0.104	0.045	0.551
Compound_582	OCN(CCCC(=O)c1cccnc1)N=O	0.031	0.299	0.073	0.412	0.035	0.193	0.003	0.013	0.042	0.009	0.176
Compound_583	O=NN(CCCC(=O)c1cccn(=O)c1)C	0.052	0.41	0.21	0.441	0.048	0.106	0.004	0.899	0.07	0.007	0.55
Compound_584	OC1CCC(O1)c1cccnc1	0.122	0.204	0.038	0.567	0.014	0.269	0.02	0.011	0.216	0.005	0.019
Compound_585	O=NN1CCCC1c1cccn(=O)c1	0.117	0.476	0.152	0.457	0.058	0.492	0.002	0.841	0.481	0.092	0.598
Compound_586	O=NN1CCCC1c1ccc[n+](c1)C1OC(C(=O)[O-])C(C(C1O)O)O	0.463	0.459	0.009	0.462	0.025	0.329	0.004	0.348	0.138	0.058	0.297
Compound_587	OCCCC(=O)c1cccnc1	0.059	0.176	0.128	0.501	0.035	0.143	0.053	0.003	0.048	0.0	0.095
Compound_588	CN(CCCN(S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(=O)[O-])C	0.236	0.38	0.009	0.373	0.244	0.094	0.617	0.721	0.301	0.63	0.678
Compound_589	[O-]C(=O)CCN(CCC(=O)[O-])CCCCCCNS(=O)(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.177	0.119	0.026	0.364	0.339	0.179	0.11	0.417	0.386	0.144	0.634
Compound_590	CN(CCCN(S(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)C	0.543	0.408	0.005	0.246	0.444	0.473	0.759	0.42	0.338	0.542	0.649
Compound_591	FC(C(F)(F)F)(CCC(C(F)(F)F)(F)F)F	0.948	0.079	0.615	0.621	0.317	0.046	0.983	0.18	0.205	0.999	0.89
Compound_592	CCCCC(C(F)(F)F)(F)F	0.959	0.105	0.634	0.702	0.338	0.035	0.991	0.834	0.288	0.999	0.872
Compound_593	FC(C(OC(C(C(C(F)(F)F)F)(F)F)C)(F)F)C(F)(F)F	0.933	0.106	0.847	0.695	0.312	0.066	0.996	0.912	0.271	0.999	0.946
Compound_594	FC(S(=O)(=O)On1c(=O)c2cccc3c2c(c1=O)ccc3)(F)F	0.426	0.689	0.786	0.628	0.233	0.774	0.914	0.992	0.422	0.337	0.576
Compound_595	CC[N+](CCCN=C(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)[O-])(CC)C	0.284	0.438	0.112	0.677	0.406	0.288	0.953	0.801	0.331	0.06	0.295
Compound_596	[O-]C(=O)C[N+](CCCNC(=O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C	0.201	0.245	0.004	0.469	0.259	0.029	0.253	0.757	0.355	0.001	0.222
Compound_597	OC(C[N+](C)(C)C)CSCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.332	0.225	0.024	0.626	0.744	0.206	0.944	0.051	0.109	0.12	0.314
Compound_598	CCCC[Si](OCCC(C#C)(O)C)(CCCC)CCCOCC(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F	0.664	0.271	0.253	0.613	0.617	0.474	0.982	0.74	0.365	0.928	0.516
Compound_599	O=C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NCCCN(=O)(C)C	0.302	0.228	0.014	0.419	0.13	0.176	0.14	0.573	0.372	0.001	0.457
Compound_600	FC1(F)C(F)(F)C(F)(F)C2(C(C1(F)F)(F)C1(F)C(F)(F)C(F)(F)C(C3(C1(C2(F)C(F)(F)C(C3(F)F)(F)F)F)F)(F)F)F	0.971	0.496	0.621	0.596	0.883	0.441	0.934	0.237	0.738	0.999	0.586