Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCCCC(C(=O)O)CC	0.563	0.01	0.072	0.2	0.063	0.005	0.838	0.226	0.038	0.854	0.358
Compound_2	CCOC(=O)c1ccccc1C(=O)OCC	0.806	0.093	0.968	0.586	0.053	0.034	0.994	0.01	0.442	0.797	0.584
Compound_3	Cn1c(=O)n(C)c2c(c1=O)[nH]cn2	0.087	0.207	0.051	0.287	0.131	0.726	0.0	0.05	0.441	0.001	0.075
Compound_4	[O-]C(=O)c1ccccc1O	0.743	0.197	0.611	0.428	0.128	0.031	0.078	0.099	0.127	0.409	0.591
Compound_5	CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O	0.832	0.916	0.282	0.558	0.927	0.98	0.8	0.943	0.828	0.99	0.992
Compound_6	C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C	0.944	0.269	0.785	0.523	0.905	0.898	0.997	0.884	0.934	0.994	0.576
Compound_7	Fc1ccc(c(c1)F)CNC(=O)c1cn2C[C@@H]3OCC[C@H](N3C(=O)c2c(c1=O)O)C	0.666	0.498	0.344	0.488	0.17	0.342	0.39	0.929	0.385	0.161	0.204
Compound_8	OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C	0.962	0.251	0.692	0.732	0.707	0.875	0.902	0.942	0.828	0.469	0.757
Compound_9	CCCCOC(=O)c1ccccc1C(=O)OCCCC	0.882	0.106	0.591	0.604	0.099	0.049	0.988	0.054	0.701	0.745	0.602
Compound_10	OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C	0.505	0.512	0.078	0.148	0.521	0.098	0.054	0.93	0.386	0.641	0.918
Compound_11	Cn1cnc2c1c(=O)n(C)c(=O)n2C	0.046	0.217	0.069	0.223	0.14	0.15	0.001	0.038	0.649	0.024	0.087
Compound_12	O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2	0.052	0.49	0.135	0.232	0.013	0.145	0.047	0.015	0.369	0.207	0.285
Compound_13	O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C	0.32	0.449	0.312	0.469	0.207	0.472	0.16	0.72	0.262	0.053	0.194
Compound_14	CCCC(C(=O)O)CCC	0.607	0.011	0.065	0.187	0.084	0.006	0.919	0.116	0.244	0.805	0.281
Compound_15	ClCCN(P1(=O)NCCCO1)CCCl	0.053	0.199	0.029	0.36	0.406	0.12	0.001	0.987	0.872	0.038	0.087
Compound_16	OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F	0.959	1.0	0.555	1.0	0.715	0.914	0.008	0.016	0.078	0.016	0.051
Compound_17	OCCCNC(=O)C(C(CO)(C)C)O	0.008	0.022	0.005	0.283	0.013	0.027	0.001	0.036	0.253	0.002	0.015
Compound_18	O=CCCCC=O	0.824	0.093	0.273	0.473	0.034	0.382	0.991	0.957	0.777	0.724	0.918
Compound_19	OCCNc1ccc(cc1N(=O)=O)N	0.664	0.222	0.822	0.357	0.597	0.096	0.001	0.912	0.293	0.004	0.558
Compound_20	CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC	0.049	0.456	0.177	0.063	0.076	0.455	0.018	0.005	0.368	0.022	0.12
Compound_21	CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1	0.561	0.325	0.264	0.465	0.126	0.098	0.974	0.196	0.498	0.674	0.087
Compound_22	C[n+]1ccc(cc1)c1cc[n+](cc1)C	0.441	0.714	0.805	0.663	0.009	0.769	0.005	0.975	0.695	0.228	0.686
Compound_23	COc1ccc(c(c1)O)C(=O)c1ccccc1	0.93	0.738	0.95	0.837	0.925	0.931	0.957	0.015	0.715	0.141	0.808
Compound_24	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.882	0.519	0.824	0.764	0.957	0.422	0.879	0.162	0.319	0.908	0.087
Compound_25	CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC	0.89	0.516	0.994	0.722	0.375	0.162	0.997	0.959	0.644	0.884	0.412
Compound_26	CCN(C(=O)c1cccc(c1)C)CC	0.158	0.394	0.366	0.536	0.0	0.322	0.014	0.12	0.422	0.508	0.063
Compound_27	O=C1NC(=O)N(C1)N=Cc1ccc(o1)N(=O)=O	0.109	0.334	0.39	0.329	0.635	0.571	0.012	0.992	0.288	0.31	0.407
Compound_28	Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.57	0.051	0.536	0.582	0.279	0.927	0.041	0.9	0.94	0.988	0.5
Compound_29	CCCCCCC(CO)O	0.896	0.227	0.05	0.548	0.13	0.098	0.93	0.035	0.145	0.444	0.219
Compound_30	Nc1cc(cc(c1O)Cl)N(=O)=O	0.781	0.147	0.837	0.556	0.598	0.41	0.981	0.988	0.679	0.835	0.938
Compound_31	Oc1cccc(c1C)O	0.877	0.236	0.828	0.653	0.224	0.057	0.204	0.972	0.859	0.841	0.214
Compound_32	COC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccccc1	0.081	0.221	0.003	0.115	0.022	0.006	0.007	0.001	0.384	0.011	0.038
Compound_33	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O	0.952	1.0	0.003	0.826	0.986	0.947	0.954	0.956	0.95	0.714	0.867
Compound_34	CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C	0.242	0.698	0.939	0.552	0.772	0.829	0.772	0.588	0.764	0.958	0.398
Compound_35	CN(C(=N)NC(=N)N)C	0.053	0.181	0.056	0.502	0.093	0.098	0.002	0.106	0.375	0.323	0.087
Compound_36	[O-]S(=O)(=O)NC1CCCCC1	0.179	0.215	0.112	0.259	0.026	0.275	0.003	0.482	0.244	0.211	0.403
Compound_37	CCOc1cc(CCC(=O)C)ccc1O	0.621	0.248	0.372	0.652	0.537	0.117	0.444	0.862	0.436	0.62	0.463