Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	OC(=O)CCCc1cc2c(n1S(=O)(=O)c1cccc(c1)C)ccc(c2)Cl	0.442	0.458	0.977	0.31	0.632	0.799	0.942	0.085	0.406	0.362	0.305
Compound_2	CCCc1cc(ccc1OCCCN1CCCc2c1ccc(c2)OC(C(=O)O)(C)C)C(=O)c1ccc(cc1)c1ccccc1	0.357	0.798	0.029	0.46	0.925	0.957	0.775	0.645	0.44	0.575	0.704
Compound_3	OC(=O)CCc1ccc(cc1C)OCC[C@H](Oc1ccc(cc1Oc1ccccc1)C(F)(F)F)C	0.545	0.665	0.513	0.539	0.969	0.519	0.739	0.898	0.276	0.177	0.285
Compound_4	CCOc1c(cc(cc1C(C)C)C(C(F)(F)F)(F)F)/C(=C\C=CC(=CC(=O)O)C)/C	0.564	0.489	0.821	0.618	0.934	0.861	0.439	0.948	0.303	0.963	0.86
Compound_5	CCCc1c(OCCCCOc2cccc(c2)C(C(=O)O)(C)C)ccc2c1onc2c1ccccc1	0.264	0.809	0.749	0.58	0.975	0.952	0.986	0.862	0.155	0.926	0.921
Compound_6	Fc1cccc(c1)[C@@H](NC(=O)c1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)c1ccccc1)C)C	0.451	0.74	0.932	0.579	0.835	0.939	0.999	0.587	0.429	0.789	0.358
Compound_7	COc1ccc2c(c1)c(Cc1cccc(c1)OC(C(=O)O)(C)C)c(n2C(=O)c1ccc(cc1)Cl)C	0.385	0.698	0.428	0.276	0.9	0.877	0.992	0.028	0.245	0.18	0.745
Compound_8	COC(=O)C1Cc2ccc(cc2OC1=O)OCCc1nc(oc1C)c1cccc(c1)C	0.453	0.777	0.956	0.75	0.763	0.65	0.994	0.971	0.674	0.213	0.968
Compound_9	O=C(c1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)c1ccccc1C(=O)O)C)N[C@@H](c1ccc(nc1)C1CC1)C	0.452	0.732	0.317	0.596	0.542	0.869	0.998	0.569	0.377	0.086	0.383
Compound_10	COc1cc(O)c2c(c1C(=O)NCc1cc(OC)cc3c1cccc3)OC1=CC(=O)C(C(=O)[C@@]21C)C(=O)C	0.815	0.731	0.911	0.645	0.799	0.972	0.79	0.995	0.425	0.404	0.661
Compound_11	Fc1ccc(cc1)[C@H](NC(=O)c1ccc2c(c1)ccn2Cc1ccc(cc1F)F)C	0.602	0.673	0.95	0.473	0.519	0.88	0.999	0.934	0.526	0.849	0.565
Compound_12	O=C(c1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)c1ccccc1)C)N[C@@H](c1cccc(c1Cl)C(F)(F)F)C	0.547	0.773	0.809	0.494	0.941	0.919	0.999	0.879	0.418	0.877	0.682
Compound_13	CCCCOc1cc(n(n1)Cc1ccc(cc1Cl)Cl)CCC(=O)NS(=O)(=O)CCCCC	0.668	0.729	0.365	0.412	0.613	0.673	0.164	0.551	0.401	0.942	0.446
Compound_14	CCC(C(=O)O)Cc1cc(CNC(=O)c2ccc(cc2)C23CC4CC(C3)CC(C2)C4)c(cc1F)OC	0.797	0.774	0.118	0.36	0.69	0.984	0.973	0.303	0.39	0.087	0.667
Compound_15	CC(OC(C(=O)O)Cc1ccc(cc1)OCc1noc(n1)c1ccc(cc1)Br)C	0.521	0.705	0.835	0.488	0.435	0.663	0.631	0.282	0.353	0.538	0.436
Compound_16	CCCCCS(=O)(=O)NC(=O)CCc1ccc(cc1Oc1ncc(cc1Cl)C(F)(F)F)OC(C)C	0.661	0.649	0.306	0.425	0.443	0.628	0.834	0.926	0.41	0.99	0.53
Compound_17	OC(=O)CCC(=NOCCCCON=C(c1cccc(c1)c1ccccc1)C)c1ccccc1	0.512	0.601	0.614	0.288	0.719	0.873	0.967	0.354	0.238	0.849	0.56
Compound_18	OC(=O)C(Oc1cccc(c1)Cn1c(C)c(c2c1ccc(c2)C(=O)N[C@H](c1ccc(cc1)Cl)C)C)C	0.352	0.754	0.531	0.368	0.702	0.855	0.999	0.106	0.31	0.327	0.757
Compound_19	OC(=O)Cc1cccc2c1cccc2NCc1cccc(c1)c1c(C)cnc2c1cccc2C(F)(F)F	0.308	0.558	0.51	0.536	0.832	0.408	0.915	0.377	0.386	0.002	0.45
Compound_20	Clc1ccc(c(c1)Cl)S(=O)(=O)Nc1ccc(c(c1)C(=O)C)Oc1cncc(c1)Cl	0.315	0.359	0.9	0.511	0.594	0.635	0.801	0.87	0.396	0.604	0.378
Compound_21	OC(=O)C(Cc1ccc(cc1)OCCN(c1nc2c(o1)cccc2)C)OCC(F)(F)F	0.197	0.696	0.622	0.516	0.69	0.581	0.892	0.62	0.145	0.066	0.616
Compound_22	CCNC(=O)c1cc(ccc1Oc1cncc(c1)Cl)NS(=O)(=O)c1cc(C)c(cc1Cl)Cl	0.391	0.411	0.442	0.458	0.634	0.646	0.639	0.741	0.387	0.23	0.275
Compound_23	Clc1ccc(nc1)Oc1ccc2c(c1)n(C)c(n2)COc1cccc(c1)C(=O)O	0.505	0.557	0.119	0.447	0.62	0.721	0.956	0.354	0.232	0.331	0.641
Compound_24	Fc1ccc(c(c1)C)Oc1ccc2c(c1)n(C)c(n2)COc1cccc(c1)C(=O)O	0.341	0.602	0.51	0.491	0.797	0.736	0.932	0.399	0.475	0.135	0.765
Compound_25	CCOC(=O)C1=C(c2ccc(cc2)Cl)c2c(C1=N(=C)O)cc(cc2)OCCCc1ccccc1	0.669	0.69	0.51	0.491	0.987	0.949	0.541	0.399	0.394	0.953	0.803
Compound_26	CC(CON=C(C(C(=O)O)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1)C)C	0.45	0.75	0.674	0.498	0.716	0.647	0.983	0.936	0.311	0.704	0.523
Compound_27	C=CCn1nc(cc1c1ccc(cc1)C(C)(C)C)C(=O)NCc1ccc(c(c1)C)OC(C(=O)O)(C)C	0.557	0.643	0.267	0.495	0.538	0.791	0.966	0.825	0.374	0.597	0.447
Compound_28	Cc1oc(nc1CCOc1ccc(cc1)CC(C(=O)O)(Oc1ccccc1)C)c1cccc(c1)c1ccccc1	0.351	0.764	0.739	0.509	0.776	0.62	0.965	0.717	0.202	0.008	0.57
Compound_29	CCC(C1CCc2c1ccc(c2)OCCc1nc(sc1C)c1ccccc1)C(=O)O	0.675	0.621	0.777	0.502	0.643	0.939	0.996	0.949	0.168	0.204	0.881
Compound_30	CC(=NC(C(=O)O)Cc1ccc(cc1)OCCCOc1ccc(cc1)/C=C/c1ccccc1)CC(=O)c1ccccc1	0.434	0.642	0.755	0.48	0.935	0.981	0.95	0.715	0.261	0.619	0.17
Compound_31	Cc1oc(nc1CN(Cc1cc(C)c(c(c1)C)OC(C(=O)O)(C)C)Cc1ccco1)c1ccccc1	0.359	0.712	0.27	0.431	0.484	0.605	0.868	0.447	0.297	0.16	0.5
Compound_32	CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)/C(=C\C=CC(=CC(=O)O)C)/C	0.612	0.342	0.84	0.57	0.731	0.984	0.402	0.951	0.848	0.948	0.816
Compound_33	OC(=O)C(Oc1cccc(c1)Cn1c(C)c(c2c1ccc(c2)C(=O)N[C@H](c1cccc(c1)C(C)(C)C)C)C)C	0.362	0.754	0.318	0.479	0.71	0.944	1.0	0.273	0.33	0.094	0.696
Compound_34	N#Cc1cccc(c1)OCc1nc2c(n1C)cc(cc2)Oc1cc(C)c(c(c1)C)N	0.331	0.671	0.793	0.614	0.785	0.74	0.707	0.491	0.598	0.324	0.919
Compound_35	CCCc1nc2c(n1Cc1ccc3c(c1)COc1c(/C/3=C(/c3[nH]oc(=O)n3)\C)cccc1)cccc2	0.584	0.725	0.308	0.542	0.808	0.775	0.994	0.493	0.673	0.887	0.477
Compound_36	OC(=O)CC1=C(CN(CC1)C(=O)Oc1ccccc1)c1cccc(c1)OCCc1nc(oc1C)c1ccccc1	0.491	0.591	0.682	0.517	0.729	0.608	0.999	0.941	0.196	0.933	0.598
Compound_37	CCCc1nc2c(n1Cc1ccc3c(c1)COc1c(/C/3=C(/c3[nH]oc(=O)n3)\C)cccc1)cccc2C	0.617	0.763	0.308	0.553	0.803	0.758	0.994	0.574	0.797	0.967	0.521
Compound_38	COc1ccc2c(c1)c(Cc1ccccc1OC(C(=O)O)C)c(n2C(=O)c1ccc(cc1)Cl)C	0.417	0.714	0.443	0.307	0.864	0.869	0.984	0.04	0.262	0.096	0.69
Compound_39	CCC(C1CCc2c1ccc(c2)OCCc1nc(oc1C)c1ccccc1F)C(=O)O	0.54	0.646	0.942	0.531	0.768	0.635	0.993	0.906	0.221	0.623	0.746
Compound_40	COc1ccc(cc1[C@@H](NC(=O)c1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)c1ccccc1C(=O)O)C)C)F	0.413	0.759	0.575	0.456	0.901	0.962	1.0	0.504	0.424	0.414	0.746
Compound_41	CCOC(C(=O)O)Cc1ccc2c(c1)ccn2Cc1nc(oc1C)c1cccc(c1)Cl	0.388	0.667	0.985	0.563	0.581	0.602	0.982	0.706	0.135	0.352	0.718
Compound_42	Cc1cccc(c1)Oc1ccc2c(c1)n(C)c(n2)COc1cccc(c1)C(=O)O	0.284	0.678	0.287	0.414	0.778	0.748	0.96	0.408	0.38	0.095	0.77
Compound_43	Clc1ccc(cc1)[C@@H](NC(=O)c1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)c1ccccc1C(=O)O)C)C	0.382	0.725	0.499	0.462	0.902	0.898	0.998	0.398	0.404	0.542	0.5
Compound_44	CCC(c1ccccc1)NC(=O)c1ccc2c(c1)c(C)cn2Cc1ccc(cc1)c1ccccc1C(=O)O	0.405	0.673	0.177	0.51	0.652	0.903	0.999	0.781	0.434	0.016	0.326
Compound_45	OC(=O)C(Oc1cc(ccc1F)Cn1c(C)c(c2c1ccc(c2)C(=O)N[C@H](c1ccc(cc1)C(C)(C)C)C)C)C	0.428	0.708	0.483	0.511	0.775	0.944	1.0	0.264	0.406	0.305	0.657
Compound_46	COc1cc(O)c2c(c1C(=O)NCc1c(CC)ccc3c1cc(F)cc3)OC1=CC(=O)C(C(=O)[C@@]21C)C(=O)C	0.838	0.782	0.929	0.664	0.8	0.973	0.965	0.985	0.442	0.738	0.705
Compound_47	C#CCOc1cccc(c1)Cc1c(C)n(c2c1cc(cc2)OC(F)(F)F)C(=O)c1ccc(cc1)OC	0.538	0.684	0.984	0.587	0.976	0.926	0.992	0.561	0.397	0.151	0.872
Compound_48	CCCc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)ccc2c1onc2C(F)(F)F	0.596	0.638	0.097	0.454	0.978	0.917	0.986	0.929	0.262	0.801	0.867
Compound_49	Brc1ccc(cc1)[C@H](NC(=O)c1ccc2c(c1)ccn2Cc1ccc(cc1F)F)C	0.595	0.673	0.95	0.473	0.365	0.674	0.999	0.934	0.429	0.949	0.51
Compound_50	COc1ccc2c(n1)n(Cc1ccc(c(c1)OC(C(=O)O)C)F)c(c2C(=O)c1ccc(cc1)OC)C	0.707	0.637	0.887	0.523	0.659	0.701	0.974	0.453	0.362	0.038	0.379
Compound_51	O=C(c1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)c1ccccc1C(=O)O)C)N[C@H](c1c(F)cccc1C(F)(F)F)C	0.383	0.75	0.364	0.469	0.964	0.903	1.0	0.825	0.399	0.419	0.449
Compound_52	CCCOC(C(=O)O)Cc1ccc(c2c1scc2)OCCc1nc(oc1C)c1ccccc1	0.565	0.747	0.731	0.533	0.71	0.653	0.988	0.969	0.224	0.65	0.762
Compound_53	COCCNC(=O)c1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)c1ccccc1C(=O)O)C	0.303	0.825	0.295	0.447	0.749	0.948	0.999	0.755	0.413	0.062	0.5
Compound_54	O=C(c1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)c1ccccc1C(=O)O)C)NC1CCCC1	0.348	0.654	0.542	0.508	0.799	0.972	0.999	0.655	0.42	0.02	0.1
Compound_55	CC[C@@H](c1cccc(c1)C(C)C)NC(=O)c1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)c1ccccc1C(=O)O)C	0.439	0.749	0.176	0.554	0.863	0.971	0.999	0.762	0.417	0.14	0.309
Compound_56	FC(COc1c(cc(cc1C(C)(C)C)C(C)(C)C)/C(=C(\C=CC(=CC(=O)O)C)/F)/C)F	0.643	0.382	0.739	0.54	0.911	0.973	0.689	0.946	0.876	0.937	0.725
Compound_57	CCOC(C(=O)O)Cc1ccc(cc1)OCc1nc(oc1C)c1ccc(s1)c1ccccc1	0.4	0.744	0.936	0.591	0.676	0.646	0.978	0.858	0.266	0.133	0.709
Compound_58	OC(=O)CCC(=NOCCCCCc1nc(oc1C)c1ccc(cc1)C)c1ccccc1	0.42	0.713	0.809	0.333	0.649	0.618	0.987	0.216	0.277	0.722	0.603
Compound_59	Clc1cnc(c(c1)C)Oc1ccc2c(c1)n(C)c(n2)COc1cccc(c1)C(=O)O	0.448	0.617	0.395	0.505	0.62	0.721	0.956	0.541	0.564	0.098	0.569
Compound_60	CCc1nc2c(n1Cc1ccc3c(c1)COc1c(/C/3=C(/c3[nH]oc(=O)n3)\C)cccc1)cccc2	0.557	0.722	0.534	0.57	0.808	0.775	0.994	0.476	0.66	0.882	0.633
Compound_61	O=C(c1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)c1ccccc1C(=O)O)C)N[C@@H]1COc2c(C1)cccc2	0.47	0.68	0.493	0.55	0.916	0.941	0.999	0.906	0.413	0.244	0.781
Compound_62	C=CCn1nc(cc1C(=O)NCc1ccc(c(c1)C)OC(C(=O)O)(C)C)c1ccc(cc1)C(C)(C)C	0.486	0.623	0.106	0.509	0.58	0.775	0.966	0.873	0.374	0.474	0.461
Compound_63	CCC(C1CCc2c1ccc(c2)OCCc1nc(oc1C)c1ccc(c(c1)OC)OC)C(=O)O	0.46	0.722	0.622	0.507	0.68	0.634	0.962	0.95	0.204	0.545	0.938
Compound_64	Cc1cc(cc(c1)C)Oc1ccc2c(n1)n(C)c(n2)COc1cccc(c1)C(=O)O	0.585	0.668	0.246	0.419	0.687	0.783	0.95	0.504	0.404	0.146	0.507
Compound_65	CCC(C1CCc2c1ccc(c2)OCCc1nc(oc1C)c1cccc(c1)C)C(=O)O	0.52	0.701	0.737	0.506	0.724	0.646	0.988	0.956	0.307	0.856	0.932
Compound_66	C=CCCC(=O)N1Cc2cc(OCCc3nc(oc3C)/C=C/CCC(C)C)ccc2CC1C(=O)O	0.653	0.716	0.918	0.443	0.394	0.58	0.527	0.962	0.124	0.993	0.446
Compound_67	COC(C(=O)O)Cc1ccc(c2c1scc2)OCCc1nc(oc1C)c1ccc(cc1)C(F)(F)F	0.543	0.719	0.911	0.626	0.75	0.654	0.993	0.949	0.147	0.079	0.886
Compound_68	Clc1ccc2c(c1)n(c1ccc(cc1)C(C)(C)C)c(c2Oc1cccc(c1)C(F)(F)F)C(=O)O	0.505	0.596	0.043	0.639	0.912	0.636	0.986	0.893	0.448	0.75	0.865
Compound_69	COc1ccc(cc1)C(=O)c1c(C)n(c2c1ccc(n2)C)Cc1cccc(c1)OC(C(=O)O)C	0.617	0.712	0.403	0.503	0.646	0.722	0.963	0.296	0.178	0.03	0.586
Compound_70	OC(=O)C(Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCN(c1nc2c(o1)cccc2)C	0.427	0.696	0.94	0.501	0.784	0.628	0.998	0.694	0.171	0.357	0.681
Compound_71	CCOC(C(=O)O)Cc1cccc(c1)C(=NOCc1ccc(cc1)C(F)(F)F)C	0.336	0.647	0.204	0.479	0.424	0.658	0.865	0.925	0.143	0.105	0.831
Compound_72	COc1ccc2c(c1)onc2n1c(=O)n(c2c1ccc(c2)C(F)(F)F)Cc1cc(ccc1Cl)[C@@]1(C)OC(=O)NC1=O	0.701	0.715	0.87	0.577	0.867	0.703	0.994	0.596	0.423	0.453	0.593
Compound_73	CCCCCS(=O)(=O)NC(=O)/C(=C/c1ccc(cc1Oc1ncc(cc1Cl)C(F)(F)F)OCCOC)/C	0.634	0.642	0.658	0.494	0.46	0.58	0.881	0.906	0.409	0.786	0.57
Compound_74	Cc1ccc(cc1)C(=O)c1ccccc1NC(C(=O)O)Cc1ccc(cc1)OCCN(c1nc2c(o1)cccc2)C	0.461	0.709	0.966	0.511	0.782	0.637	0.998	0.781	0.299	0.287	0.658
Compound_75	Clc1ccc(cc1)c1oc(c(n1)CCOc1ccc(cn1)CC1(CCCO1)C(=O)O)C	0.515	0.757	0.749	0.533	0.479	0.552	0.278	0.453	0.057	0.883	0.686
Compound_76	COc1ccc2c(c1)onc2n1c(=O)n(c2c1cccc2)Cc1cc(ccc1Cl)OC(C(=O)O)C	0.626	0.659	0.365	0.498	0.751	0.726	0.955	0.49	0.184	0.4	0.505
Compound_77	CC(OC(=O)NCc1cc(OCCc2nc(oc2C)c2ccc(cc2)Oc2ccccc2)ccc1CCC(=O)O)C	0.422	0.719	0.883	0.477	0.751	0.644	0.992	0.964	0.453	0.72	0.67
Compound_78	Brc1ccc(c(c1)OC(F)(F)F)S(=O)(=O)Nc1cc(Cl)c(c(c1)Cl)Oc1cnc2c(c1)cccc2	0.534	0.288	0.998	0.611	0.704	0.647	0.948	0.944	0.436	0.797	0.699
Compound_79	CCCCc1ccc2c(c1CNC(=O)c1c(OC)cc(c3c1OC1=CC(=O)C(C(=O)[C@@]31C)C(=O)C)O)cccc2	0.814	0.801	0.818	0.647	0.819	0.981	0.963	0.991	0.44	0.495	0.718
Compound_80	OC(=O)C[C@@H]1CCc2c1ccc(c2)OCCc1nc(sc1C)c1ccc(cc1)F	0.707	0.546	0.81	0.521	0.679	0.925	0.996	0.839	0.304	0.251	0.624
Compound_81	CCCC(C(=O)O)Oc1cccc(c1)Cn1c(C)c(c2c1cc(cc2)OC(F)(F)F)C(=O)c1ccc(cc1)Cl	0.542	0.57	0.665	0.436	0.946	0.576	0.994	0.328	0.267	0.26	0.773
Compound_82	Clc1cccc(c1)[C@H](NC(=O)c1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)c1ccccc1)C)C	0.521	0.747	0.932	0.579	0.844	0.927	0.999	0.587	0.416	0.863	0.595
Compound_83	CCCCCC(=O)N1Cc2cc(OCCc3nc(oc3C)/C=C/CCC(C)C)ccc2CC1C(=O)O	0.668	0.746	0.896	0.441	0.394	0.58	0.527	0.925	0.171	0.988	0.619
Compound_84	CCCOc1ccc(cc1CNC(=O)c1ccc(cc1)c1ccccc1)CC(C(=O)O)Cc1ccccc1	0.549	0.696	0.226	0.402	0.685	0.994	0.871	0.803	0.42	0.122	0.121
Compound_85	O=C(c1cc(n(n1)C)c1ccc(cc1)c1ccccc1)NCc1ccc(c(c1)C)OC(C(=O)O)(C)C	0.564	0.675	0.188	0.544	0.677	0.776	0.989	0.336	0.446	0.216	0.537
Compound_86	Clc1ccc(cc1C(=O)Nc1ccccc1)N(=O)=O	0.974	0.65	0.992	0.844	0.53	0.898	0.992	0.979	0.451	0.998	0.426
Compound_87	N#Cc1ccccc1c1ccc(cc1)Cn1c2ccc(cc2c(c1C)C)C(=O)N[C@H](c1ccc(cc1)Br)C	0.505	0.738	0.969	0.612	0.523	0.678	0.999	0.663	0.415	0.925	0.657
Compound_88	OC(=O)C1(CCCO1)Cc1ccc(nc1)OCCc1nc(oc1C)c1ccc(cc1)C(F)(F)F	0.521	0.709	0.428	0.578	0.528	0.57	0.977	0.785	0.062	0.395	0.66
Compound_89	Clc1c[nH]c(c1)Oc1ccc2c(c1)c(Oc1cccc(c1)C(F)(F)F)c(n2c1ccc(cc1)C(C)(C)C)C(=O)O	0.513	0.598	0.013	0.531	0.758	0.646	1.0	0.845	0.42	0.979	0.887
Compound_90	CCc1cc(OCCc2nc(oc2C)c2ccc(cc2)C#N)ncc1CCC(=O)O	0.468	0.672	0.646	0.462	0.458	0.59	0.839	0.595	0.461	0.182	0.843
Compound_91	O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c1nc(Cl)[nH]c2=NCc1cccc(c1)I	0.525	0.49	0.902	0.611	0.469	0.631	0.068	0.688	0.277	0.175	0.429
Compound_92	NCC(=O)SC(CCSC(=O)CN)CCCCC(=O)N(CCOc1ccc(cc1)Cc1sc(=O)[nH]c1O)C	0.264	0.508	0.004	0.427	0.291	0.869	0.089	0.05	0.183	0.012	0.441
Compound_93	CCc1cc(ccc1CCC(=O)O)Oc1cc(F)cc(c1)[C@H](NC(=O)c1sc2c(c1C)cc(cc2)Cl)C	0.702	0.656	0.733	0.508	0.727	0.673	0.991	0.554	0.429	0.967	0.543
Compound_94	CCCOC(C(=O)O)Cc1ccc(c2c1cccc2)OCCc1nc(oc1C)c1ccccc1	0.346	0.737	0.653	0.541	0.643	0.607	0.983	0.966	0.419	0.557	0.757
Compound_95	OC(=O)[C@]1(OCCOCC1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1	0.494	0.771	0.554	0.557	0.68	0.592	0.973	0.82	0.352	0.243	0.714
Compound_96	CCCOc1ccc(cc1CNC(=O)c1ccc(cc1)N1CCCCCCC1)CC(C(=O)O)Cc1ccccc1	0.626	0.676	0.036	0.333	0.792	0.995	0.745	0.777	0.449	0.177	0.419
Compound_97	CC(OC(C(=O)O)Cc1ccc(cc1)OCCc1noc(n1)c1ccc(cc1)Cl)C	0.425	0.685	0.9	0.522	0.703	0.841	0.821	0.698	0.204	0.249	0.255
Compound_98	OC(=O)C1CN(C[C@H]1Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1)C(=O)Oc1ccccc1	0.419	0.636	0.417	0.509	0.794	0.636	0.996	0.951	0.337	0.805	0.551
Compound_99	CCCOc1c(cc(cc1C(C)C)C(C(F)(F)F)(F)F)/C(=C\C=CC(=CC(=O)O)C)/C	0.53	0.488	0.86	0.62	0.934	0.861	0.439	0.905	0.402	0.941	0.698
Compound_100	COCc1nc2n(c1Cc1ccc3c(c1)COc1c(/C/3=C(/c3[nH]oc(=O)n3)\C)ccc(c1)F)cccc2Cl	0.6	0.612	0.261	0.496	0.735	0.718	0.991	0.103	0.846	0.69	0.621
Compound_101	CCCCCCC(C(=O)O)Sc1nc2c(s1)cc(cc2)NS(=O)(=O)c1ccc(cc1)Cl	0.654	0.599	0.875	0.466	0.629	0.679	0.933	0.814	0.395	0.94	0.222
Compound_102	O=C(c1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)c1ccccc1C(=O)O)C)N[C@H](c1nccc(c1)C1CC1)C	0.461	0.728	0.312	0.571	0.519	0.865	0.998	0.64	0.415	0.092	0.489
Compound_103	Cc1cccc(c1)c1oc(c(n1)CCOc1ccc(nc1)CC1(CCCO1)C(=O)O)C	0.615	0.769	0.678	0.501	0.41	0.555	0.524	0.792	0.337	0.16	0.694
Compound_104	Clc1ccc(c(c1)C)C(=O)NCc1cccc(c1)Oc1ccc(c(c1)C)OC(C(=O)O)(C)C	0.284	0.52	0.318	0.436	0.477	0.674	0.702	0.077	0.261	0.259	0.215
Compound_105	COc1ccc(cc1OC(C(=O)O)C)Cn1c(C)c(c2c1ccc(c2)C(=O)N[C@H](c1cccc(c1)C1CC1)C)C	0.46	0.831	0.215	0.43	0.654	0.873	0.999	0.222	0.36	0.091	0.695
Compound_106	CCC(C(=O)O)Oc1cccc(c1)n1c(C)c(c2c1cc(cc2)OC(F)(F)F)C(=O)c1ccc(cc1)OC	0.431	0.626	0.044	0.52	0.947	0.63	0.989	0.292	0.11	0.08	0.941
Compound_107	OCc1ccc(cc1)C(=O)c1ccccc1NC(C(=O)O)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1	0.492	0.716	0.984	0.525	0.825	0.646	0.985	0.954	0.225	0.481	0.703
Compound_108	OC(=O)C(Cc1ccc(cc1)OCCCOc1ccc(cc1)/C=C/c1ccc(cc1)C(F)(F)F)N=C(CC(=O)c1ccccc1)C	0.448	0.654	0.731	0.523	0.973	0.977	0.958	0.906	0.288	0.428	0.371
Compound_109	FC(COc1c(cc(cc1C(C)C)c1ccccc1F)/C(=C\C=CC(=CC(=O)O)C)/C)F	0.585	0.575	0.871	0.59	0.94	0.95	0.854	0.892	0.787	0.883	0.752