Index	SMILES	Probability	Label
Compound_1	CCCCCc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N([C@@H](C(=O)NO)C(C)C)CCN1CCOCC1	0.16	0.0
Compound_2	COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C	0.0	0.0
Compound_3	Cc1nc2c([nH]1)cc1c(c2)c(=O)[nH]c(n1)N	0.05	0.0
Compound_4	NC(=O)CN1C(=O)[C@@H](NC(=O)C2=CC3=C[C@@H](SC3=N2)Cl)Cc2c1cccc2	0.03	0.0
Compound_5	NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)cccc2)C	0.01	0.0
Compound_6	CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(COP(=O)(O)O)(C)C)O	0.04	0.0
Compound_7	CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(COP(=O)(O)O)(C)C)O	0.04	0.0
Compound_8	OCCOc1ccccc1c1ccc(c(c1F)F)F	0.85	1.0
Compound_9	CCCCCCCCCSC[C@@H](C(=O)O)N	0.15	0.0
Compound_10	CCCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.13	0.0
Compound_11	SC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)OC)C(C)C)NCc1ccc(cc1)c1ccccc1	0.02	0.0
Compound_12	N[C@H](Cc1c[nH]c2c1cccc2)O	0.18	0.0
Compound_13	CCO[P@@](=O)(N(CC)CC)O	0.89	1.0
Compound_14	O[C@@H]1C[C@H](O[C@H]1CN1CCCC1)n1cc(C)c(=O)[nH]c1=O	0.0	0.0
Compound_15	CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O	0.71	1.0
Compound_16	Fc1ccc(cc1)c1c[nH]nc1c1ccnc(c1)F	0.95	1.0
Compound_17	CCCCCCCCCCOC(=O)S	0.92	1.0
Compound_18	CC(CO[C@@H]1OC(=C[C@@H]([C@H]1NC(=O)C)O)C(=O)O)C	0.05	0.0
Compound_19	COC(=O)CCNC(=O)c1cc(cc(c1O)I)c1ccc(cc1F)F	0.07	0.0
Compound_20	OC(=O)CCCCCCCCCCOC(=O)S	0.32	0.0
Compound_21	OC(=O)CCNC(=O)c1cc(cc(c1O)I)c1ccc(cc1F)F	0.04	0.0
Compound_22	OC(=O)C(=N)Cc1ccc(c(c1)O)O	0.06	0.0
Compound_23	CC[C@@H](O[P@@](=O)(Cl)C)COc1ccccc1	0.84	1.0
Compound_24	ONC(=O)[C@H]([C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)NC)CC(C)C)CNC(=O)c1nccs1	0.11	0.0
Compound_25	OC[C@H](C(C)C)Nc1ccc2n(n1)c(cn2)c1cccc(c1)N	0.06	0.0
Compound_26	OC[C@@H](C[C@@H]([C@@H]([C@H](C(=O)C[P@@H](=O)O)C)O)C)C	0.26	0.0
Compound_27	OCCN(S(=O)(=O)c1ccc(cc1)c1ccccc1)CC(=O)NO	0.23	0.0
Compound_28	C[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)C)Cc1ccccc1)O	0.03	0.0
Compound_29	C[C@@H](C[C@H](c1ccccc1)C)C[C@@H]1CCCCN1C	0.02	0.0
Compound_30	CC(C[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCn1ccnc1)C	0.03	0.0
Compound_31	NCCOC(=O)Cc1cccc2c1cccc2	0.25	0.0
Compound_32	COc1cccc(c1c1cc2cnc(nc2nc1N)N)OC	0.85	1.0
Compound_33	NOCCCCN(C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(C=C)nc2c1ncnc2N)C	0.0	0.0
Compound_34	N=CC(=C)CCc1ccc(cc1)F	0.29	0.0
Compound_35	CSc1nc(NCCC(C)C)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O	0.06	0.0
Compound_36	N[C@H](C(=O)C)COCc1ccccc1	0.05	0.0
Compound_37	O[C@@H]1O[C@@H]2CO[C@@](O[C@@H]2[C@@H]([C@H]1O)O)(C)C(=O)O	0.13	0.0
Compound_38	O[C@H]1[C@H](CO[P@](=O)(O[P@@](=O)(NP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N	0.02	0.0
Compound_39	CC(C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)/C=C/C(=O)OCc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)c1noc(c1)C)C)C	0.02	0.0
Compound_40	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)[C@H]3[C@@H]([C@H]2O)N=C(O3)N(C)C)[C@@H]([C@@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@H]1NC(=O)C)O)O)O)NC(=O)C	0.01	0.0
Compound_41	N[C@H](C(=O)OC(C)(C)C)CCC(=O)N	0.02	0.0
Compound_42	CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCC=CCCCCCC)CO[P@](=O)(OC[C@@H](CO)O)O	0.53	1.0
Compound_43	OC(=O)[C@H](Cc1c[nH]c2c1c(N)ccc2)N	0.01	0.0
Compound_44	CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O)O)O)COC(=O)CCCCCCCCCCCC	0.62	1.0
Compound_45	CC([C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(=O)C(C(F)(F)F)(F)F)C(C)C)NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C	0.02	0.0
Compound_46	O=C1O[C@@H]2[C@@H]([C@@H]1C)[C@@]13[C@]4([C@H]2O)[C@H](OC3=O)[C@@H]([C@H]([C@@]24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C)O	0.34	0.0
Compound_47	CCCC(=O)/C(=C/OP(=O)(O)O)/O	0.16	0.0
Compound_48	OC(=O)c1[nH]c(c(c1c1c[nH]c2c1cccc2Cl)c1c[nH]c2c1cccc2Cl)C(=O)O	0.43	0.0
Compound_49	N[C@@H](C[C@H]1C=Nc2c1cccc2)COc1cncc(c1)c1ccc2c(c1)ccnc2	0.03	0.0
Compound_50	CCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O	0.09	0.0
Compound_51	O=C(OC(C)(C)C)NCCCCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O	0.01	0.0
Compound_52	OC(=O)[C@H](Cc1cc(/N=C/Cc2ccccc2)c(cc1O)O)N	0.08	0.0
Compound_53	CCOc1cc(C[C@H]2SC(=S)N(C2=O)CC(=O)O)c(c(c1O)Br)Br	0.2	0.0
Compound_54	C[C@H]1CNc2c(C1)cccc2S(=O)=O	0.12	0.0
Compound_55	OCCCOS(=O)(=O)c1cccc(c1)C(=O)Nc1cccc2c1cc(cc2)C(=N)N	0.76	1.0
Compound_56	OCCN(C1CCCC1)[C@@H](CNC(=O)c1cc2c([nH]1)ccc(c2)Cl)O	0.03	0.0
Compound_57	ONC(=O)N1C[C@@H]2O[C@H](C1)O[C@H]2C(=O)NCc1ccc(cc1)c1ccccc1	0.01	0.0
Compound_58	Nc1nc(N)c2c(n1)nc(cc2)C(CNC(=O)c1ccc(cc1)Oc1ccccc1)(C)C	0.1	0.0
Compound_59	NC(=O)c1cc2c(NCCc3c[nH]cn3)nc(nc2nc1N)C(C)(C)C	0.06	0.0
Compound_60	NC(=O)c1cc2c(nc1N)nc(nc2N1CCN(CC1)c1ncccn1)C(C)(C)C	0.01	0.0
Compound_61	COc1ccc(cc1)n1cnc2c1cc(cc2)c1nnc(o1)S	0.51	1.0
Compound_62	Cc1ccc(cc1)OCC[P@@H](=O)O	0.51	1.0
Compound_63	O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1ccc2c1cccc2C	0.03	0.0
Compound_64	CC(C[C@H](C(=O)NCC(=O)N1CCC(CC1)c1cc(nn1C)c1ccc(c(c1Cl)Cl)OCc1ccc(cc1)NC(=O)C)N=C(N)N)C	0.04	0.0
Compound_65	COc1c(OC)cc(cc1OC)C(C#Cc1c(C)nc(nc1N)N)(C)C	0.35	0.0
Compound_66	N[C@H]1N[C@@H](N)[C@H]2[C@@H](N1)CC[C@@H](C2)CN1CC[C@@H]2[C@@H]1CCCC2	0.06	0.0
Compound_67	O=C(CN1[C@H](Cl)CN=C([C@@H]1O)NCCc1ccccn1)NCc1csc2c1cc(Cl)cc2	0.01	0.0
Compound_68	OCCCCC(CCCCO)CCO	0.94	1.0
Compound_69	C(CCn1cncc1)CCCn1cncc1	0.16	0.0
Compound_70	CCCSSC[C@@H](C=O)N	0.57	1.0
Compound_71	O=Cc1cc2n(c1NC(=C(CS(=O)=O)C=CC(=O)N)C(=O)O)cccc2	0.02	0.0
Compound_72	CCCCCCCCCCC1=C(O)C(=O)NC1=O	0.13	0.0
Compound_73	BrCCN(c1cc(C(=O)NCC(=O)C=O)c(cc1N(=O)=O)N(=O)=O)CCBr	0.05	0.0
Compound_74	O[C@H]1C=C[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C	0.21	0.0
Compound_75	O=CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@H](C(=O)O)CCC(=O)N[C@H](C(=O)O)CCC(=O)N[C@H](C(=O)O)CCC(=O)O)CNc2c1c(=O)nc([nH]2)N	0.0	0.0
Compound_76	CC[C@H](/C=C/C=CC[C@H](/C=C/C=C/C=C[C@H](CCCC(=O)O)O)O)O	0.24	0.0
Compound_77	CCOC(=O)[C@H](Cc1ccc(c(c1)O)O)N	0.54	1.0
Compound_78	OC[C@@H]1O[C@@H](C[C@H]1OC(=O)[C@H](C(C)C)N)n1ccc(nc1=O)N	0.01	0.0
Compound_79	N#Cc1c[nH]c2c1cccc2C(=O)N1CCN(CC1)CCc1ccc(cc1)F	0.0	0.0
Compound_80	CCOC(=O)[C@H](CCC(=O)N[C@H](C(=O)N[C@H](c1ccccc1)C(=O)OCC)CSCc1ccccc1)N	0.01	0.0
Compound_81	CCNCCS(=O)(=O)NC[C@]1(SC(=NN1C(=O)C(C)(C)C)NC(=O)C(C)(C)C)c1ccccc1	0.09	0.0
Compound_82	Fc1ccc(c(c1)C)[C@H]1C[C@H](CCN1C(=O)N([C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C)N1CCN2[C@H](C1)CCC2=O	0.0	0.0
Compound_83	COc1ccccc1/C=C/C(=O)C(=O)O	0.67	1.0
Compound_84	O=c1cc(/C=N/OCCO/N=C/c2cccc(c2)C(=O)O)[nH]c(=O)[nH]1	0.01	0.0
Compound_85	N#Cc1ccc(cc1Cl)N1N=C2[C@@H]([C@@H]1C1CCCC1)CCc1c2ccc(c1)C(=O)O	0.04	0.0
Compound_86	COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@@]1(C)O)O)CO[P@](=O)(Oc1cccc2c1cccc2)N[C@H](C(=O)OCC(C)(C)C)C	0.07	0.0
Compound_87	CN([C@@H]1C[C@H]([C@@H](N1)C(=O)O)C)O	0.05	0.0
Compound_88	ON[C@@H]1C[C@H]([C@@H](N1)C(=O)O)C	0.04	0.0
Compound_89	NCCCCC/C(=C/CN)/SC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N	0.01	0.0
Compound_90	CO[C@@H](c1ccc(cc1)CN1[C@H](COc2ccccc2)[C@H](O)[C@H]([C@H](N(S1(=O)=O)Cc1ccc(cc1)CO)COc1ccccc1)O)O	0.1	0.0
Compound_91	OC[C@@H](C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O)N	0.0	0.0
Compound_92	CCCC[C@H](C(=O)N[C@H](C(=O)Nc1ccccc1)CCCCN)CNNC[C@@H](C(=O)N[C@H](C(=O)Nc1ccccc1)CCCCN)CCCC	0.05	0.0
Compound_93	O=C(c1ccc(cc1)F)C=CC(=C(C(=O)O)O)F	0.8	1.0
Compound_94	CSCC[C@@H](C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O)N	0.0	0.0
Compound_95	Fc1cnc(nc1)[C@@H](Nc1ncc(c(n1)Nc1[nH]nc(c1)C)Cl)C	0.34	0.0
Compound_96	CCNC(=S)Nc1ccc(c(c1)C(=O)O)c1c2ccc(=O)cc2oc2c1ccc(c2)O	0.53	1.0
Compound_97	CSCCC(=O)C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC=O	0.0	0.0
Compound_98	NCCCN1CCN(CC1)CCCNC(=O)c1cc(O[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)cc(c1)N(=O)=O	0.0	0.0
Compound_99	CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC[C@H]1C[C@H]1CCCCCC)CO[P@](=O)(OC[C@@H](CO)O)O	0.58	1.0
Compound_100	OC(=O)CN1C(=O)C(=Cc2ccc(cc2)O)N=C1[C@H]([C@H](O)C)N	0.0	0.0
Compound_101	O[C@@H]1[C@@H](CO[P@](=O)(O[P@](=O)(O[P@](=O)(O[P@](=O)(OP(=O)(O)O)O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N	0.03	0.0
Compound_102	O[C@@H](C[C@@H](C(=O)O)N)O[C@@H]([C@@H](C(=O)O)N)C	0.04	0.0
Compound_103	NCC1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O	0.01	0.0
Compound_104	NCCCC[C@@H](C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O)N	0.0	0.0
Compound_105	O[C@@H](C[C@@H](C(=O)O)N)SC[C@@H](C(=O)O)N	0.02	0.0
Compound_106	O=Cc1cn([C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)c(=O)nc1N	0.01	0.0
Compound_107	OC(=O)CN1C(=O)C(=Cc2ccc(cc2)O)N=C1[C@H](CC(=O)O)N	0.0	0.0
Compound_108	OC[C@H]1O[C@H](Oc2cc(cc(c2)N(=O)=O)C(=O)NC(CN2CCOCC2)CN2CCOCC2)[C@@H]([C@H]([C@H]1O)O)O	0.01	0.0
Compound_109	CCCCO[C@@H]1[C@H](O)[C@H](O[C@H]1n1cc(C)c(=O)[nH]c1=O)COP(=O)(O)O	0.01	0.0
Compound_110	CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCC/C=C/CCCCCC)CO[P@](=O)(OCCO)O	0.67	1.0
Compound_111	COC(=O)C[C@H](OC(=O)C[C@H](OC(=O)C[C@H](O)C)C)C	0.42	0.0
Compound_112	OC(=O)Cn1c(O)c(nc1[C@H](Cc1cnc[nH]1)N)C=C1C=CC(=O)C=C1	0.01	0.0
Compound_113	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)NC(=O)c1cc(OC)cc(c1)OC)n1cnc2c1ncnc2N[C@@H]1CCCc2c1cccc2	0.01	0.0
Compound_114	C/C(=C\CC/C(=C/CC/C(=C/CC1=C(C)C(=O)c2c(C1=O)cccc2)/C)/C)/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C	0.04	0.0
Compound_115	N=C(SC[C@@H](C(=O)O)N)NCCC[C@@H](C(=O)O)N	0.02	0.0
Compound_116	O=C(N[C@H]([C@H](C[C@@]1(NC[C@H](C1=O)[C@@H]1[C@H](O[C@H](O)N)Cc2c1cccc2)Cc1ccccc1)O)Cc1ccccc1)O[C@@H]1COCC1	0.02	0.0
Compound_117	NCCO[P@@](=O)(OC[C@H](OC(=O)CCCCCCC/C=C/C/C=C/CCC)COC(=O)CCCCCC/C=C/CC/C=C/CC/C=C/C)O	0.29	0.0
Compound_118	O[C@@H]1[C@H](CO[C@H]1n1cnc2c1ncnc2N)OP(=O)(O)O	0.02	0.0
Compound_119	OC(=O)CN1C(=O)C(=Cc2ccc(cc2)O)N=C1C(=N)CCC(=O)O	0.0	0.0
Compound_120	OC(=O)CN1C(=O)C(=Cc2c[nH]c3c2c(N)ccc3)N=C1[C@H]([C@H](O)C)N	0.0	0.0
Compound_121	COC(=O)[C@@H]1c2c([C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2	0.27	0.0
Compound_122	OCCCOP(=O)=O	0.7	1.0
Compound_123	NCCCC[C@@H](C(=O)N[C@H]([P@](=O)(N[C@H](C(=O)N1CCC[C@H]1C(=O)OC)C)O)Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1	0.03	0.0
Compound_124	CC(=O)O[C@H]1[C@@H](O)O[C@@H]([C@H]1O)CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O	0.01	0.0
Compound_125	C[C@H](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)CCOC[C@@H](COP(=O)(O)O)OCC[C@@H](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C	0.44	0.0
Compound_126	OC[C@@H](OCC[C@@H](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)COCC[C@@H](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C	0.85	1.0
Compound_127	NCc1ccc[n+](c1)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O	0.01	0.0
Compound_128	NOCC[S@@+](C[C@@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)C	0.01	0.0
Compound_129	O=C[C@H](Cc1ncn(c1)c1nnn[nH]1)N	0.4	0.0
Compound_130	NCCCN1CCN(CC1)CCCNC(=O)c1cc(cc(c1)NC(=O)Cc1cccs1)O[C@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O	0.01	0.0
Compound_131	O=Cc1cc2n(c1N[C@H]([C@@]([S@@](=O)O)(COC(=O)Cc1ccc(c(c1)O)O)C)C(=O)O)cccc2	0.02	0.0
Compound_132	C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C	0.94	1.0
Compound_133	CCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.76	1.0
Compound_134	OC(=O)CN1C(=O)C(=Cc2c[nH]c3c2cccc3)N=C1[C@H]([C@H](O)C)N	0.0	0.0
Compound_135	NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1)Cc1ccccc1	0.01	0.0
Compound_136	OC[C@H]1O[C@H](OCCCNC(=O)c2cc(CN=N#N)cc(c2)C(=O)NCCCO[C@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O	0.01	0.0
Compound_137	CC(=O)Cc1cc[n+](cc1C(=O)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O	0.01	0.0
Compound_138	CO[C@@H]1[C@H](C)[C@H](O[C@H]1n1cc(C)c(=O)[nH]c1=O)COP(=O)(O)O	0.01	0.0
Compound_139	O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H]([C@@H]1OCCn1cncc1)n1cc(C)c(=O)[nH]c1=O	0.0	0.0
Compound_140	OC(=O)CCCCN(c1ccc(cc1)/C=C/c1ccc(cc1)N(=O)=O)C	0.36	0.0
Compound_141	O=C(N[C@@H]([C@H]1SCC(=C(N1)C(=O)O)/C=C/c1ccc(cc1N(=O)=O)N(=O)=O)C(=O)OC[C@@H](C(=O)O)N)Cc1cccs1	0.02	0.0
Compound_142	O=C(N[C@H](C(=O)NCC(=O)O)CS[C@@H](N(c1ccc(cc1)Br)O)O)CC[C@@H](C(=O)O)N	0.05	0.0
Compound_143	OO[C@]1(Cc2ccc(cc2)O)N=c2n(C1=O)cc(nc2Cc1ccccc1)c1ccc(cc1)O	0.01	0.0
Compound_144	O[C@H]1C[C@@H](C[C@H]1COS(=O)(=O)N)n1ccc2c1ncnc2N[C@H]1CCc2c1cccc2	0.19	0.0
Compound_145	O[C@H]1C[C@H](O)C(=C)C(=CC=C2CCC[C@]3([C@H]2CC[C@@H]3C#CC#CC(O)(C)C)C)C1	0.08	0.0
Compound_146	O[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)Cn1c2cc(C)c(cc2[n+](c2c1nc(O)nc2=O)S(=O)(=O)O)C	0.05	0.0
Compound_147	Clc1ccc(cc1)/C=C/S(=O)(=O)N1CCN(CC1)CC1CCN(CC1)c1ccncc1	0.13	0.0
Compound_148	Cc1ccc2c(c1)C(=O)[C@@]1(C2=O)O[C@H]([C@H]([C@H]1C(=O)O)C(=O)Nc1ccc(cc1)c1nnsc1)c1ccc(c(c1)Cl)Cl	0.25	0.0
Compound_149	CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@@H]([C@H]1O)CO)CC(=O)NO	0.33	0.0
Compound_150	OC(=O)C[C@H](N(C(=O)c1cc(ccc1NS(=O)(=O)c1ccc2c(c1)cccc2)OS(=O)(=O)c1ccc2c(c1)cccc2)C)C(=O)O	0.39	0.0
Compound_151	N[C@@H]1N[C@H](N)[C@@H](C(=O)N1)CCC[C@@H](C(C(F)(F)F)(O)O)c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)O	0.01	0.0
Compound_152	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1ccc(=O)[nH]c1=O	0.0	0.0
Compound_153	CC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H](C2)N(C)C)O)c2c(C1)cc1c(c2O)C(=O)c2c(C1=O)cccc2O	0.27	0.0
Compound_154	CCCCn1ccc(c(c1=O)Cl)N1CCC(CC1)c1ccccc1	0.01	0.0
Compound_155	OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc(cc2)OCCOC2CC2)Cl)[C@@H]([C@H]([C@@H]1O)O)O	0.15	0.0
Compound_156	NCC[C@H](c1cccc(c1)OCC1CCCCC1)O	0.05	0.0
Compound_157	O=C(N1CCN(CC1)Cc1sc2c(c1C)nc(nc2N1CCOCC1)c1cnc(nc1)N)[C@@H](O)C	0.01	0.0
Compound_158	O1CCN(CC1)CCOc1ccc(cc1)C1CCC2(CC1)OOC1(O2)C2CC3CC1CC(C2)C3	0.09	0.0
Compound_159	CNC(=O)c1cccc(c1)c1ccc2c(n1)nc(nc2N1CCOC[C@@H]1C)N1CCOC[C@@H]1C	0.01	0.0
Compound_160	C/C(=C\CC[C@](CCC1=C(C)C(=O)C(=C(C1=O)C)C)(O)C)/CC/C=C(/CCC=C(C)C)\C	0.05	0.0
Compound_161	OC[C@@H](c1ccccc1)NC(=O)[C@H](c1cccc(c1)Cn1c2ccccc2c2c1nc(C)cc2C)C1CCCC1	0.01	0.0
Compound_162	O=C1NC(=O)[C@@](N1)(C)CS(=O)(=O)N1CCC(CC1)Oc1ccc(cn1)Cl	0.03	0.0
Compound_163	Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2nccnc2)C)cc(c1)C(F)(F)F	0.08	0.0
Compound_164	Ic1ccc(c(c1)F)Nc1c(ccc(c1F)F)C(=O)N1CC(C1)(O)[C@@H]1CCCCN1	0.0	0.0
Compound_165	Cn1ncc(c1)c1cnn2c1nc([C@@H]1CCCNC1)c(c2N)Br	0.02	0.0
Compound_166	C/C(=C\CC/C(=C/CCC(=CCC1=C(C)C(=O)c2c(C1=O)cccc2)C)/C)/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C	0.04	0.0
Compound_167	OCCn1ncc(c1)c1cnc(c2c1scc2c1ccc(cc1)NC(=O)Nc1cccc(c1)F)N	0.01	0.0
Compound_168	C=CCn1c(=O)c2c(n1c1cccc(n1)C(O)(C)C)nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C	0.0	0.0
Compound_169	CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1cc(nn1c1ccc2c(c1)cccn2)C(C)(C)C	0.01	0.0
Compound_170	COc1ccccc1C=NOCCC(=O)O	0.07	0.0
Compound_171	OC[C@H]1O[C@H](Oc2ccc(cc2)[C@@H](C(=O)O)N)[C@H]([C@H]([C@@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O	0.02	0.0
Compound_172	CCN(CCN1CCc2c(C1=O)c(C)c([nH]2)C=C1C(=O)Nc2c1cc(F)cc2)CC	0.01	0.0
Compound_173	O[C@@H](CN1CCCc2c(C1=O)c(C)c([nH]2)C=C1C(=O)Nc2c1cc(F)cc2)CN1CCOCC1	0.0	0.0
Compound_174	OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)N/C(=N/O)/[C@@H]([C@H]2O)O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O	0.01	0.0
Compound_175	O=C(c1cc2c(o1)cccc2)N[C@@H]1C2CCN([C@H]1Cc1cccnc1)CC2	0.01	0.0
Compound_176	O=C(Nc1ccncc1)Nc1ccc(cc1)c1nc(nc(n1)N1[C@@H]2COC[C@H]1CC2)N1CCOCC1	0.02	0.0
Compound_177	CCC(/C=C/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCCC2=C/C=C/1\C[C@@H](O)C[C@@H](C1=C)O)C)(CC)O	0.18	0.0
Compound_178	N#C/C=C/c1cc(C)cc(c1)[P@@](=O)(c1c([nH]c2c1cc(Cl)cc2)C(=O)N)OC	0.25	0.0
Compound_179	Nc1ncc(cn1)c1nc(nc2c1CCN2S(=O)(=O)C)N1CCOCC1	0.03	0.0
Compound_180	N#Cc1ccc(cc1)c1nnc(o1)[C@@H]([C@@H](O)C)Nc1ccc(c(c1C)Cl)C#N	0.2	0.0
Compound_181	O=C(N1CCC(=Cc2cccc(c2)Oc2ccc(cn2)C(F)(F)F)CC1)Nc1cccnn1	0.02	0.0
Compound_182	OC(=O)CCc1ccc(n1c1ccc(cc1C)C(=O)N)c1ccc(cc1)n1cncc1	0.0	0.0
Compound_183	CCc1cc2C(=O)c3c4ccc(cc4[nH]c3C(c2cc1N1CCC(CC1)N1CCOCC1)(C)C)C#N	0.01	0.0
Compound_184	N#Cc1ccc2c(c1)c1C[C@@H](Cc1n2Cc1ccccn1)NC(=O)OC(C)C	0.11	0.0
Compound_185	I/C=C/CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(cc1)F)C(=O)OC	0.0	0.0
Compound_186	CCc1c2=Cc3[nH]c(c(c3C)C(=O)O)C(=C3NC(=Cc4[nH]c(C=c(c1C)[nH]2)c(C=C)c4C)[C@H]([C@@H]3CCC(=O)O)C)CC(=O)N[C@H](C(=O)O)CC(=O)O	0.02	0.0
Compound_187	NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)CCC(=O)N)C(C)C)CC(C)C)C(C)C	0.01	0.0
Compound_188	COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3Cc4c([C@@H](N3[C@H]([C@H](C2)N1C)O)CNC(=O)/C=C/c1cccc(c1)C(F)(F)F)c1OCOc1c(c4OC(=O)C)C	0.03	0.0
Compound_189	COc1cc(c(cc1OC)NC(=O)c1cc(=O)c2c(o1)cccc2)c1nnn(n1)c1ccc(cc1)CCN1CCc2c(C1)cc(c(c2)OC)OC	0.03	0.0
Compound_190	CSCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCC(=O)O)CS)CC(=O)O)NC=O	0.09	0.0
Compound_191	COc1cc(F)c(cc1c1ccc(cc1CN1C(=O)O[C@@H]([C@@H]1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C	0.59	1.0
Compound_192	NCCCC[C@H](C(=O)N1CCC(CC1)(N)C(=O)O)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)N)Cc1ccccc1)CC(C)C	0.01	0.0
Compound_193	CCCC[C@H](C(=O)N[C@@H](C(=O)NCc1ccncc1)CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)N)Cc1ccccc1	0.02	0.0
Compound_194	COc1cc(ccc1Nc1ncnc(n1)Nc1ccccc1S(=O)(=O)C(C)C)N1CCC(CC1)N1CCN(CC1)C	0.05	0.0
Compound_195	NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1OC(=CC[C@H]1N)CNCCO)O	0.01	0.0
Compound_196	O=C(c1onc(n1)c1cc(Br)c(c(c1)Br)O)NCc1ccc(cc1)Oc1ccccc1	0.03	0.0
Compound_197	CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@]12OC[C@@](O1)(CO)[C@H]([C@@H]([C@H]2O)O)O	0.06	0.0
Compound_198	NC(=O)[C@@H]1CCCN1C(=O)Nc1nc(c(s1)c1ccnc(c1)C(C(F)(F)F)(C)C)C	0.01	0.0
Compound_199	Fc1cc(cc(c1CNC1Cc2c(C1)cccc2)F)c1cccc(c1)c1ncn[nH]1	0.04	0.0
Compound_200	C[C@@](C(C)(C)C)(CO[C@H]1[C@@H](C[C@]23[C@H]([C@@]1(C)COC2)CC[C@H]1C3=CC[C@@]2([C@]1(C)CC[C@]([C@H]2C(=O)O)(C)[C@@H](C(C)C)C)C)n1ncnc1c1ccncc1)N	0.01	0.0
Compound_201	OC[C@H]([C@H]([C@@H](c1c[nH]c(n1)C(=NO)C)O)O)O	0.01	0.0
Compound_202	COC[C@]1(CO)N2CCC(C1=O)CC2	0.05	0.0
Compound_203	C[C@@H]1CN(C[C@H]1c1[nH]c(=O)c2c(n1)n(nc2)C1CCOCC1)Cc1ncccn1	0.01	0.0
Compound_204	COC(=O)[C@@H](c1ccccc1)N1CCC(CC1)c1ccc(cc1)NC(=O)c1ccccc1c1ccc(cc1)C(F)(F)F	0.03	0.0
Compound_205	Brc1cccc(c1)c1[nH]nc(c1)c1ccc2c(c1)OCO2	1.0	1.0
Compound_206	C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F	0.02	0.0
Compound_207	COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)c1ccc(cc1)c1ccc(cc1)c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)C(C)C	0.01	0.0
Compound_208	CN1CCC(CC1)CNc1ccc2n(n1)c(cn2)c1cccc(c1)OC(F)(F)F	0.0	0.0
Compound_209	FC(c1nccc(c1)[C@@]1(N=C(c2c1cccc2F)N)c1cccc(c1)c1cncnc1)F	0.01	0.0
Compound_210	OC[C@@H](Cn1c2cc(F)c(cc2cc1C(CO)(C)C)NC(=O)C1(CC1)c1ccc2c(c1)OC(O2)(F)F)O	0.02	0.0
Compound_211	OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C	0.58	1.0
Compound_212	CC(c1noc(n1)N1CCC(CC1)COc1ccc(nc1)c1ccc(cc1)S(=O)(=O)C)C	0.15	0.0
Compound_213	CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H]2[C@H]([C@@]1(C)F)O[P@@](=O)(OC2)OC(C)C	0.27	0.0
Compound_214	CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1cnc(c(c1)Nc1nccc(n1)c1cccnc1)C	0.0	0.0
Compound_215	Cn1nccc1c1ccc(cc1)Sc1cccc(c1)C1(CCOCC1)C(=O)N	0.03	0.0
Compound_216	Clc1ccc(c(c1)F)Cc1c(C)nc2n1nc(Nc1[nH]nc(c1)C)cc2CN1CCOCC1	0.07	0.0
Compound_217	N[C@H](CN1CC(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)C(F)(F)F	0.01	0.0
Compound_218	Fc1ccc(cc1)[C@@H](Nc1nc(Nc2cnccn2)cc(c1)c1cnn(c1)C)C	0.09	0.0
Compound_219	N#Cc1c(SCc2csc(n2)c2ccc(cc2)Cl)nc(c(c1c1ccc(cc1)OCCOC(=O)[C@@H](NC(=O)[C@@H](N)C)C)C#N)N1CCCC1	0.03	0.0
Compound_220	C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@@H](C[C@@H]2O)N)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3	0.06	0.0
Compound_221	O=C(Nc1cc(F)c2c(c1O)C(=O)C1=C(O)[C@]3([C@@H](C[C@@H]1C2)[C@H](N(C)C)C(=C(C3=O)C(=O)N)O)O)CN1CCCC1	0.0	0.0
Compound_222	CCOc1ccc(cn1)c1ccc(cc1)Cn1c(CC(C(=O)O)(C)C)c(c2c1ccc(c2)OCc1ccc(cn1)C)SC(C)(C)C	0.16	0.0
Compound_223	COc1c(OCCCN2CCOCC2)ccc2c1nc(N=C(c1cnc(nc1)N)O)n1c2=NCC1	0.0	0.0
Compound_224	Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C	0.02	0.0
Compound_225	O[C@H](c1ccc2c(c1C)COC2=O)CN1CCN(CC1)C[C@@H](c1ccc2c(c1C)COC2=O)O	0.0	0.0
Compound_226	COC(=O)N[C@H](CNc1nccc(n1)c1cn(nc1c1cc(Cl)cc(c1F)NS(=O)(=O)C)C(C)C)C	0.01	0.0
Compound_227	C[C@@H]1CCCN1CCCOc1ccc(cc1)c1ccc(=O)[nH]n1	0.0	0.0
Compound_228	COc1ccc2c(c1)ccc(c2)c1cc(nn1[C@H](c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl	0.04	0.0
Compound_229	O=C([C@@H](n1cnc(c1)C(F)(F)F)CC1CCCC1)Nc1ccc(cn1)C(=O)O	0.03	0.0
Compound_230	CC(NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2c1[C@H](C)C[C@H]2O)c1ccc(cc1)Cl)C	0.0	0.0
Compound_231	Cc1cc(ccc1Oc1ccn2c(c1)ncn2)Nc1ncnc2c1cc(cc2)/N=C/1\OCC(N1)(C)C	0.06	0.0
Compound_232	N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C	0.01	0.0
Compound_233	Cc1nn(c(n1)c1cn2c(n1)c1ccc(cc1OCC2)c1cnn(c1)C(C(=O)N)(C)C)C(C)C	0.0	0.0
Compound_234	N[C@H](Cc1cc(F)c(cc1F)F)CC(=O)N1CCNC(=O)[C@H]1COC(C)(C)C	0.0	0.0
Compound_235	O=C(N1CCC(CC1)n1c(=O)[nH]c2c1cccn2)O[C@@H]1CC[C@H]([C@@H](c2c1nccc2)N)c1cccc(c1F)F	0.0	0.0
Compound_236	COCCc1ccc(cn1)c1c(C)nc2n1nccc2N1CCOCC1	0.05	0.0
Compound_237	Fc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]12COC[C@H]2CSC(=N1)N)F	0.03	0.0
Compound_238	O=C(Nc1cc(Br)c(cc1OC[C@@H]1CNCCO1)C)Nc1cnc(cn1)C	0.01	0.0
Compound_239	O=C([C@@]1(C[C@H]1C1CCCCC1)c1ccc(cc1)S(=O)(=O)C1CC1)Nc1ncc(s1)SCCN1CCCC1	0.06	0.0
Compound_240	COc1ccc(cc1)C(=O)Nc1cccc(c1NC(=O)c1ccc(cc1)N1CCCN(CC1)C)O	0.0	0.0
Compound_241	N#C[C@@H]1CCCN1C(=O)CNC(CNC(=O)c1cnc2n(c1)nc(c2)C)(C)C	0.01	0.0
Compound_242	CCCNC(=O)c1nnc2c(c1N)cccc2c1c(F)cccc1OC	0.01	0.0
Compound_243	CCCNC(=O)c1nnc2c(c1N)cccc2c1cc(OC)ccc1OC	0.03	0.0
Compound_244	CCS(=O)(=O)c1ccc2c(c1)nc(o2)c1ccc2c(c1)cccc2	0.73	1.0
Compound_245	C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)N)O	0.01	0.0
Compound_246	O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)O	0.04	0.0
Compound_247	OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O)O)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1N)O)O)N	0.0	0.0
Compound_248	CCN1CCN(CC1)c1ccc(cc1)Nc1ncnc(c1)N(C(=O)Nc1c(Cl)c(OC)cc(c1Cl)OC)C	0.01	0.0
Compound_249	NC(=O)[C@@H](NCc1ccc(cc1)OCc1ccccc1F)C	0.05	0.0
Compound_250	OC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1sc(c(n1)c1scc(c1)Cl)N1CCN(CC1)C1CCCCC1	0.01	0.0
Compound_251	OC(=O)COc1cc(C)c(cc1C)CCN[C@H]([C@@H](c1ccc(cc1)O)O)C	0.01	0.0
Compound_252	C/C=C\1/[C@H]2C=C(C[C@]1(/N=C/c1cc(Cl)cc(c1O)OC)c1c(C2)[nH]c(=O)cc1)C	0.35	0.0
Compound_253	FC(Oc1ccc(c2c1oc1c2cncc1)C(=O)Nc1c(Cl)cn(=O)cc1Cl)F	0.06	0.0
Compound_254	OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1	0.01	0.0
Compound_255	COc1cc2ncnc(c2cc1NC(=O)/C=C/CN1CCCCC1)Nc1ccc(c(c1)Cl)F	0.0	0.0
Compound_256	Fc1ccc2n(c1)cc(n2)CCC#Cc1ccccn1	0.08	0.0
Compound_257	O=C(Nc1cc(cc(c1)/C(=N/NC(=N)N)/C)C(=NNC(=N)N)C)CCCCCCCCC(=O)Nc1cc(cc(c1)/C(=N/NC(=N)N)/C)/C(=N/NC(=N)N)/C	0.06	0.0
Compound_258	FC(Oc1ccc(c2c1oc1c2cc(cc1)NS(=O)(=O)C)C(=O)Nc1c(Cl)cncc1Cl)F	0.62	1.0
Compound_259	COCN1C(=O)N(COC)C(=O)C(C1=O)(c1ccccc1)c1ccccc1	0.03	0.0
Compound_260	CCOCCn1nc(c2c1c(Nc1nccc(c1)C)nc(n2)N(CC)C)C(=O)NS(=O)(=O)C	0.04	0.0
Compound_261	COc1c(OC)cc(cc1[C@@H](Nc1cc(ccc1S(=O)(=O)C)N1CCNCC1)C)Cl	0.07	0.0
Compound_262	N#Cc1ccc(cc1)CN1CCN(CC1)C(=O)[C@@H](N(C(=O)/C=C/c1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)N1CCN(CC1)C(=O)C)Cc1ccccc1	0.12	0.0
Compound_263	CCCc1nc(ccc1/C=C/C(=O)N[C@@H](c1cc(F)c(c(c1)F)NS(=O)(=O)C)C)C(F)(F)F	0.2	0.0
Compound_264	O=C(c1cc(c(n(c1=O)c1cccc(c1)C(F)(F)F)C)c1ccnn1C)NCc1ccc(cn1)S(=O)(=O)C	0.02	0.0
Compound_265	CC(S(=O)(=O)N[C@H]1COC[C@H]1Oc1ccc(cc1)c1ccc(s1)C#N)C	0.21	0.0
Compound_266	CN(C(=O)c1cc2c(n1C1CCCC1)nc(nc2)Nc1ccc(cn1)N1CCNCC1)C	0.0	0.0
Compound_267	N#Cc1cc(cc(c1)Cl)Oc1c(=O)n(ccc1C(F)(F)F)Cc1n[nH]c(=O)n1C	0.01	0.0
Compound_268	Clc1cnc(nc1)N1CCC(CC1)Oc1cc(=O)n(cc1Cl)c1ccc(cc1F)S(=O)(=O)C	0.0	0.0
Compound_269	COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)CCCn1ccnn1)Cl	0.0	0.0
Compound_270	Fc1ccc(cc1)[C@H]1Nc2cc(F)cc3c2c([C@@H]1c1ncnn1C)n[nH]c3=O	0.0	0.0
Compound_271	N#Cc1ccc(c(c1)F)[C@H]1CCc2n1cnc2	0.07	0.0
Compound_272	CCN1CCN(CC1)Cc1ccc(nc1)Nc1ncc(c(n1)c1cc(F)c2c(c1)n(C(C)C)c(n2)C)F	0.01	0.0
Compound_273	COCCOc1ccc(cc1)Nc1ncc(c(n1)Nc1cccc(c1)NC(=O)C=C)F	0.03	0.0
Compound_274	CON(Cc1ccc(c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=C(C(=O)[C@]3(C(=C1C2=O)O)O)C(=O)N)O)O)C	0.02	0.0
Compound_275	OCCn1ncc(c1)/C=C/c1n[nH]c2c1cc(cc2)O[C@@H](c1c(Cl)cncc1Cl)C	0.03	0.0
Compound_276	N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1cc[nH]2	0.02	0.0
Compound_277	CCc1cnc(nc1)N1CCC(CC1)c1scc(n1)COc1ccc(cc1)n1cnnn1	0.22	0.0
Compound_278	Nc1oc2c(n1)cc(cc2)c1nn(c2c1c(N)ncn2)C(C)C	0.07	0.0
Compound_279	CC(=O)Nc1cccc2c1c(Sc1ccc(cc1)Cl)c(n2CC(=O)O)C	0.22	0.0
Compound_280	N#Cc1cc(cc(c1)Cl)Oc1c(Cl)ccc2c1cnn2Cc1n[nH]c2c1cccn2	0.25	0.0
Compound_281	CCOC(=O)N1CC[C@@H](C1)CN(Cc1ccc(s1)N(=O)=O)Cc1ccc(cc1)Cl	0.11	0.0
Compound_282	CCCCCNC(=O)N1CC[C@@H](C1)CN(Cc1ccc(s1)N(=O)=O)Cc1ccc(cc1)Cl	0.19	0.0
Compound_283	Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2c(n1)nc(n2)C(F)(F)C	0.81	1.0
Compound_284	ONC(=O)c1cnc(nc1)N(Cc1cc2c(s1)c(nc(n2)c1ccc(nc1)OC)N1CCOCC1)C	0.01	0.0
Compound_285	CNC(=O)c1cccc2c1ccc(c2)Oc1ccnc2c1cc(OC)c(c2)OCC1(N)CC1	0.01	0.0
Compound_286	OC(=O)c1cc(cc2c1nc(n2Cc1cccc(c1C)C(F)(F)F)C)N1CCOCC1	0.0	0.0
Compound_287	OC(=O)CCCn1ccc2c1cccc2c1noc(n1)c1cnc(c(c1)Cl)OC(C)C	0.07	0.0
Compound_288	OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.29	0.0
Compound_289	C[C@H](C(=O)O)N=C(c1ccccc1)O	0.02	0.0
Compound_290	OC(=N)N[C@@H](C(=O)O)C(C)C	0.01	0.0
Compound_291	OC(=N)N[C@@H](C(=O)O)C	0.03	0.0
Compound_292	OCCSc1ccccc1c1nnc2n1cc(cc2)Sc1ccccc1CNC(=O)Nc1cc(nn1c1ccc(c(c1)Cl)O)C(C)(C)C	0.03	0.0
Compound_293	N#CC(=C(CCC#C)O)C(=O)Nc1ccc(cc1)C(F)(F)F	0.09	0.0
Compound_294	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1nc[nH]c2=O	0.01	0.0
Compound_295	NC(=O)c1cccc2c1[nH]c(n2)[C@@]1(C)CCCN1	0.01	0.0
Compound_296	CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1c1ccccc1)C1CCCCC1)C	0.09	0.0
Compound_297	Clc1ccc2c(c1)c1nc(nc(c1o2)O)[C@@H]1CCCN1	0.06	0.0
Compound_298	OC(=O)[C@@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C2)C(=O)c1ccc2c(c1)occ2)Cc1cccc(c1)S(=O)(=O)C	0.01	0.0
Compound_299	COc1ccc2c(c1)C=C1Cn3c2c(C2CCCCC2)c2c3cc(cc2)/C(=N/S(=O)(=O)N(CCOCCN(C1=O)C)C)/O	0.02	0.0
Compound_300	CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(nc1C)C)C(=O)N1CCOCC1)C1Cc2c(C1)cccc2)C	0.02	0.0
Compound_301	OC(=O)CSc1nnc(n1c1ccc(c2c1cccc2)C1CC1)Br	0.1	0.0
Compound_302	O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2	0.0	0.0
Compound_303	Fc1ccc(c(c1)[C@H]1OC[C@@H](C[C@@H]1N)N1Cc2c(C1)cn(n2)S(=O)(=O)C)F	0.08	0.0
Compound_304	CCCCCCO[C@H](c1cccc(c1OC)c1csc(n1)NC(=O)c1cc(Cl)c(c(c1)Cl)C=C(C(=O)O)C)C	0.06	0.0
Compound_305	O[C@@H]1[C@@H](CO[P@@](=O)(OP(=O)(O[P@@](=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2nc(N)[nH]c3=O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O	0.0	0.0
Compound_306	OS(=O)(=O)c1ccccc1Nc1nc(Cl)nc(n1)Nc1ccc(cc1S(=O)(=O)O)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O	0.93	1.0
Compound_307	O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncn(c2=N)[C@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O)CO[P@](=O)(O[P@](=O)(OP(=O)(O)O)O)O	0.0	0.0
Compound_308	O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncn(c2=N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O)CO[P@](=O)(O[P@](=O)(OP(=O)(O)O)O)O	0.0	0.0
Compound_309	O[C@@H]1[C@@H](CO[P@@](=O)(O[P@@](=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)[n+]2cccc(c2)C(=O)N)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncn1c2ncc1	0.0	0.0
Compound_310	SSCCNC(=O)CCNC(=O)[C@@H](C(CO[P@@](=O)(O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.01	0.0
Compound_311	O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=S)N)CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)n1cnc2c1ncnc2N)O)O	0.03	0.0
Compound_312	CCNC(=O)CCNC(=O)[C@@H](C(CO[P@@](=O)(O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.01	0.0
Compound_313	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)CO[P@](=O)(OCC[N+](C)(C)C)O	0.32	0.0
Compound_314	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)CO[P@](=O)(OCC[N+](C)(C)C)O	0.32	0.0
Compound_315	ClC[C@@H]1CN(c2c1c1c(C)c[nH]c1c(c2)O)C(=O)c1[nH]c2c(c1)cc(cc2)NC(=O)Nc1ccc2c(c1)cc([nH]2)C(=O)N1C[C@H](c2c1cc(O)c1c2c(C)c[nH]1)CCl	0.12	0.0
Compound_316	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)OC)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C	0.04	0.0
Compound_317	ClCCN(P(=O)(N(CCCl)CCCl)OCCS(=O)(=O)C[C@@H](C(=O)N[C@H](c1ccccc1)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl	0.06	0.0
Compound_318	NCCC[C@H](N(C(=O)[C@@H]1CCSCCC(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)[C@@H](CC)C)[C@H](CC)C)C)CO	0.01	0.0
Compound_319	COc1ccc2c(c1)nc(cc2O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)CC(=O)N1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)/C(=N/S(=O)(=O)C1CC1)/O)c1ccccc1	0.06	0.0
Compound_320	OC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCC(=O)N)[C@H](CC)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)C	0.02	0.0
Compound_321	OC/C(=N\NC(=O)CCCCCN1C(=O)C=CC1=O)/[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC	0.01	0.0
Compound_322	Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H](C1)O)CO[P@](=O)(O[P@](=O)(O[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O)O)O)O)O	0.0	0.0
Compound_323	C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)Oc1ncc(c2c1cc(Cl)cc2)OC)/C(=N/S(=O)(=O)C1CC1)/O	0.05	0.0
Compound_324	O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=S)N)CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O	0.02	0.0
Compound_325	OC[C@H]1O[C@H](O[P@](=O)(O[P@](=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H](C(=O)N[C@H](C(=O)O)C)C)NC(=O)C	0.0	0.0
Compound_326	CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCC=CCCCCCCCC)CO[P@](=O)(OCC[N+](C)(C)C)O	0.58	1.0
Compound_327	Nc1[nH]c(=O)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO[P@@](=O)(O[P@@](=O)(O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c[n+](c2c1nc(N)[nH]c2=O)C)O)O)O	0.0	0.0
Compound_328	O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C(=O)N([C@@H]1Cc1ccccc1)Cc1cccc(c1)C(=O)N=c1[nH]c2c([nH]1)cccc2)Cc1cccc(c1)C(=O)N=c1[nH]c2c([nH]1)cccc2	0.01	0.0
Compound_329	O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C(=O)N([C@@H]1Cc1ccccc1)Cc1cccc(c1)C(=O)Nc1nccs1)Cc1cccc(c1)C(=O)Nc1nccs1	0.03	0.0
Compound_330	OCC(=O)[C@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O	0.04	0.0
Compound_331	CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCC=CCC=CCCCCC)CO[P@](=O)(OCC[N+](C)(C)C)O	0.58	1.0
Compound_332	CCCCCC=CCC=CCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCC=CCC=CCCCCC)CO[P@](=O)(OCC[N+](C)(C)C)O	0.58	1.0
Compound_333	COc1c(O)c(CC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)C)C)C)c(c(c1OC)O)C	0.03	0.0
Compound_334	O=c1[nH]c(=O)c2c(n1)n(C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc3c1ncnc3N)O)O)O)O)O)c1c(n2)c(O)c(c(c1)C)C	0.0	0.0
Compound_335	CCCCCCC=C[C@H]1[C@@H]2N=N[C@H]([C@@H]1CC=CCCCC(=O)O)C2	0.05	0.0
Compound_336	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O	0.25	0.0
Compound_337	OC[C@@H](N(C(=O)CCCCCCCCC(C)C)C)C(=O)N[C@@H](C(=O)NCC(=O)N([C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cc(c3cc1ccc3O)c(O)cc2)C(=O)O)C)C	0.01	0.0
Compound_338	OCC(=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	0.04	0.0
Compound_339	CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1CC=CCCCC(=O)O)O)O	0.07	0.0
Compound_340	OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.1	0.0
Compound_341	COC[C@H]1CC[C@@H]2C1=C[C@@]1(C)[C@@H](O)CC(=C1[C@H]([C@@H]([C@@H]2C)O)O[C@H]1O[C@H](COC(C=C)(C)C)[C@H]([C@@H]([C@H]1O)OC(=O)C)O)[C@@H](COC(=O)C)C	0.05	0.0
Compound_342	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)CO[C@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O	0.05	0.0
Compound_343	O=C1NC(=O)CN(C1)C[C@@H](N1CC(=O)NC(=O)C1)C	0.01	0.0
Compound_344	COC1=C(OC)C(=O)[C@@H]([C@H]([C@H]1O)CC=C(CCC=C(CCC=C(C)C)C)C)C	0.04	0.0
Compound_345	N[C@@H](CS)CC(=O)O	0.18	0.0
Compound_346	Clc1cccc2c1c(=O)n(c(c2)[C@@H](Nc1ncnc2c1nc[nH]2)C)c1ccccc1	0.01	0.0
Compound_347	ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1	0.01	0.0
Compound_348	n1ccc(cc1)c1cc(nnc1N1CCN(CC1)c1ncccn1)c1ccccc1	0.07	0.0
Compound_349	O=CCCCC=C(CCC=C(CCC=O)C=O)C=O	0.65	1.0
Compound_350	Fc1ccc2c(c1)c1CN(CCc1n2CC(=O)O)C(=O)c1cccc2c1cccc2	0.02	0.0
Compound_351	CCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCC)CO[P@](=O)(OC[C@H](CO)O)O	0.67	1.0
Compound_352	Fc1ccc(cc1)[C@H](c1nc(Nc2n[nH]c(c2)C)c2c(n1)cccc2)O	0.01	0.0
Compound_353	Fc1ccc(cc1)[C@@H](c1nc(Nc2n[nH]c(c2)C)c2c(n1)cccc2)O	0.05	0.0
Compound_354	Fc1cccc(c1c1nnc2n1nc(OCc1ncnn1C)c(c2)C1CCC1)F	0.17	0.0
Compound_355	C[C@H]([C@@H](C(=O)O)N)N	0.01	0.0
Compound_356	NC(=N)NCCC[C@@H](C(=O)NCCc1ccccc1)NC(=O)[C@H](Cc1c2cc(cc(c2[nH]c1C(C)(C)C)C(C)(C)C)C(C)(C)C)NC(=O)[C@H](CCCNC(=N)N)N	0.05	0.0
Compound_357	CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2NCC(c1ccccc1)c1ccccc1)C(=O)NCCNC(=O)NC1CCN(CC1)c1ccccn1	0.01	0.0
Compound_358	NCCCNCCO[C@H]1[C@@H](O[C@@H]([C@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O)CO)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O)N	0.01	0.0
Compound_359	OC[C@H]1O[C@H](O[P@](=O)(O[P@](=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O[C@](C(=O)O)(OP(=O)(O)O)C)NC(=O)C	0.01	0.0
Compound_360	CCc1oc2c(c1C(=O)c1cc(Br)c(c(c1)Br)O)ccc(c2)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1	0.1	0.0
Compound_361	CCC1=C[C@@H]2CN(C1)CCc1c([C@@](C2)(C(=O)OC)c2cc3c(cc2OC)N([C@@H]2[C@@]43CCN3[C@H]4[C@@](CC)(C=CC3)[C@H]([C@]2(O)C(=O)OC)OC(=O)C)C)[nH]c2c1cccc2	0.07	0.0
Compound_362	CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NC)C(C)C)OCc1ccc(cc1)c1cccnc1)O)O)OCc1ccc(cc1)c1cccnc1	0.1	0.0
Compound_363	CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NC)C(C)C)OCc1ccc(cc1)c1cscc1)O)O)OCc1ccc(cc1)c1cscc1	0.12	0.0
Compound_364	C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(O2)nc2cc(OC)ccc2n1)C(C)(C)C)/C(=N/S(=O)(=O)C1CC1)/O	0.05	0.0
Compound_365	CCCCCCCCCCCC(=O)OCN1C(=O)CCc2c1cc(OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl)cc2	0.1	0.0
Compound_366	COc1cc2ncnc(c2cc1NC(=O)C=CCN1CCCCC1)Nc1ccc(c(c1)Cl)F	0.02	0.0
Compound_367	N#Cc1ccc(cc1C(F)(F)F)N1C(=O)N([C@](C1=O)(CO)c1ccccc1)C	0.03	0.0
Compound_368	O=C(N1C(=O)C(c2c1cc(F)cc2)(C)C)NCC1CCN(CC1)CC1(O)CCOCC1	0.0	0.0
Compound_369	OC1(CCOCC1)CN1CCC(CC1)COc1noc2c1c(ccc2)O[C@H]1COCC1	0.0	0.0
Compound_370	O=C(c1cc2c(s1)c(Cl)ccc2)N[C@H]1CN2CCC1CC2	0.01	0.0
Compound_371	Cc1cc(n(n1)C)C(=O)Nc1cc(ccc1C)Oc1ccc2n(n1)cc(n2)NC(=O)C1CC1	0.02	0.0
Compound_372	OCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(F)(F)F)C)c2c(c3c1nccc3)cccc2	0.0	0.0
Compound_373	CCNC(=O)Nc1ccc(cc1)c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C1COC1	0.01	0.0
Compound_374	O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1CC=CCCCC(=O)OCCCCON(=O)=O)O	0.36	0.0
Compound_375	O=c1ccn(c(=O)[nH]1)[C@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)O[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O	0.0	0.0
Compound_376	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(=C/C)/N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)C(C)C)\C)C)Cc1ccccc1	0.02	0.0
Compound_377	COc1cccc(c1)[C@H]([C@@H](NC(=O)C(F)(F)F)C)Oc1ccc2c(c1)cnn2c1ccc(cc1)F	0.39	0.0
Compound_378	C[C@H]([C@H](Oc1nc(ncc1C(F)(F)F)Nc1ccc(cc1)[S@@](=O)(=N)C1CC1)C)O	0.44	0.0
Compound_379	CCCCOc1nc2N(CC(=O)Nc2c(n1)N)Cc1cccc(c1)CN1CCCC1	0.0	0.0
Compound_380	COc1cc(CCc2[nH]nc(c2)NC(=O)c2ccc(cc2)N2C[C@H](C)N[C@@H](C2)C)cc(c1)OC	0.0	0.0
Compound_381	CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O	0.48	0.0
Compound_382	O=C(Nc1cccc(c1C)F)Nc1ccc(c(c1O)S(=O)(=O)[C@H]1CCCNC1)Cl	0.03	0.0
Compound_383	CCCS(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)NC(=O)c1ccc(cc1)c1cc(ccc1OC(F)(F)F)NC(=O)C1CC1	0.09	0.0
Compound_384	CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)N2CCCCn1nnc(c1)c1cccc(c1)N)C)C)(C)OC	0.01	0.0
Compound_385	CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCc1c3CN(C(=O)O2)Cc3ccc1)C(C)(C)C)/C(=N/S(=O)(=O)C1CC1)/O	0.01	0.0
Compound_386	COC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@@H]([C@H](C(C)(C)C)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)[C@H](C1=O)OC(=O)C)C)C)O	0.16	0.0
Compound_387	CC(=O)O[C@H]1C(=O)[C@]23C[C@H]2C[C@@H]2[C@]([C@H]3[C@@H]([C@]3(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)OC(C)(C)C)O)C3)(C)C)O)OC(=O)c1ccccc1)(CO2)OC(=O)C	0.18	0.0
Compound_388	CCC(n1c(=O)[nH]c2c1nc(C#C)cn2)CC	0.02	0.0
Compound_389	CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@@H]1O[C@H](SC)[C@H]([C@@H]([C@H]1O)O)O	0.06	0.0
Compound_390	COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O	0.03	0.0
Compound_391	Nc1ncc(cn1)c1nc(nc2c1nc(n2C(C)C)C)N1CCOCC1	0.04	0.0
Compound_392	N#Cc1ccc(cc1C(F)(F)F)N1CCC[C@@H]1[C@H](C(F)(F)F)O	0.06	0.0
Compound_393	NCCCOc1cccc(c1c1[nH]nc(c1)Nc1cnc(cn1)C#N)OC	0.02	0.0
Compound_394	Clc1ccc(cc1)[C@H](C(Cl)(Cl)C)c1ccccc1Cl	0.94	1.0
Compound_395	OC[C@H]([C@@H](CCCC[C@H](CC(=C/C(=C\C(=O)O)/C)C)C)O)C=O	0.08	0.0
Compound_396	OC(=O)CON=C1C2=CC=CCC2=NC1=C1C(=O)N=C2C1=CC=CC2	0.01	0.0
Compound_397	O=N(=O)c1cnc(n1CCNS(=O)(=O)N)C	0.01	0.0
Compound_398	Cn1c[n+](c2c1N[C@@H](N)N[C@H]2O)C	0.05	0.0
Compound_399	Fc1ccc(cc1)n1c(C)ccc(c1=O)C(=O)Nc1ccc(c(c1)F)Oc1cc2cnn(c2cc1c1c[nH]nc1)C	0.0	0.0
Compound_400	CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1scc(n1)C(=O)c1ccc(cc1)F)C1CCCCC1)C	0.02	0.0
Compound_401	C=CC(=O)N1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1F)Cl)Cl	0.02	0.0
Compound_402	O[C@H]1CCCC[C@@H]1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)C	0.0	0.0
Compound_403	Fc1ccc2c(c1)[nH]cc2CCNCc1cccc(c1)OCC(C(F)F)(F)F	0.03	0.0
Compound_404	Nc1[nH]c(=O)c2c(n1)[n+](cn2C)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO[P@](=O)(O[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O)O	0.01	0.0
Compound_405	O=C(NCCSC(=O)c1ccc(cc1)O)CCNC(=O)[C@@H](C(CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.02	0.0
Compound_406	OOC[C@@H]1O[C@H](O[C@H]2CC(C(=O)O)(C(=O)O)[C@H]3[C@@](C2)(C)[C@H]2CC[C@@H]4C[C@@]2(CC3)[C@@H](O)C4=C)[C@@H]([C@H]([C@H]1OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)CC(C)C	0.18	0.0
Compound_407	O=C/C=C/N[C@H]([C@@](S(=O)=O)(Cn1ccnn1)C)C(=O)O	0.01	0.0
Compound_408	OC(=O)CC[C@@H](C(=O)O)O[P@](=O)(OC[C@H]1O[C@@H]([C@H]([C@@H]1O)O)OC[C@H]([C@@H]([C@@H](Cc1ccc(cc1)N1CN2[C@H]([C@@H]1C)[C@@H](C)Nc1c2c(=O)[nH]c(n1)N)O)O)O)O	0.01	0.0
Compound_409	CCCCCCCCCCCCC/C=C/[C@H]([C@@H](NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O)O	0.04	0.0
Compound_410	OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O)OCCNC[C@@H]1CCCNC1)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O)N	0.0	0.0
Compound_411	OC[C@H]1O[C@@H](O[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CCC(=O)N[C@H](C(=O)N[C@@H](C(=O)O)C)CCC[C@H](C(=O)O)N)C)C)NC(=O)C)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C	0.0	0.0
Compound_412	CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)CO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O)O	0.04	0.0
Compound_413	O=C(c1c(O)cc(cc1O)O)n1cccc1	0.2	0.0
Compound_414	OC[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]2[C@@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]2O)CO)C(=O)O)[C@@H]([C@@H]([C@@H]1O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)NC(=O)C	0.01	0.0
Compound_415	O=C(NCCSC(=O)C[C@](CC(=O)O)(O)C)CCNC(=O)[C@@H](C(CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.01	0.0
Compound_416	CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.02	0.0
Compound_417	O[C@@H](C[N+](C)(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.01	0.0
Compound_418	CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.02	0.0
Compound_419	OC[C@H]1O[C@H](O[P@](=O)(O[P@](=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CCC(=O)O)C)C)NC(=O)C	0.01	0.0
Compound_420	CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1[nH]cnc1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCCNC(=N)N)Cc1ccc(cc1)O)C	0.02	0.0
Compound_421	O[C@@H]1[C@@H](CO[P@@](=O)(O[P@@](=O)(OP(=O)(O[P@@](=O)(O[P@@](=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)O)O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N	0.02	0.0
Compound_422	CCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O)O	0.02	0.0
Compound_423	O=C(C=C1[CH2]=NC(N1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NNc1cnccn1	0.01	0.0
Compound_424	CNCc1ccc(cc1)c1noc(c1)c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C(C)C	0.02	0.0
Compound_425	O=C([C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCc1ccccn1)C(C)C)OCc1ccccc1)O)O)OCc1ccccc1)N[C@H](C(=O)NCc1ccccn1)C(C)C	0.02	0.0
Compound_426	CN1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)c1nnc(c(c1)O[C@@H](c1c(Cl)ccc(c1Cl)F)C)N	0.0	0.0
Compound_427	CCCC[C@@]1(CC)N[C@H](c2ccccc2)c2c(S(=O)(=O)C1)cc(c(c2)OC)CNC(CC(=O)O)CC(=O)O	0.03	0.0
Compound_428	COc1cc(ccc1NC(=O)[C@@H]1N[C@H]([C@]([C@H]1c1cccc(c1F)Cl)(C#N)c1ccc(cc1F)Cl)CC(C)(C)C)C(=O)O	0.07	0.0
Compound_429	OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)O)N[C@H]1C=C(CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.04	0.0
Compound_430	O=N(=O)C1=CC(=N(=O)O)C=C(C21O[C@H]1[C@@H](O2)[C@@H](O[C@@H]1CO[P@@](=O)(O[P@](=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N)N(=O)=O	0.03	0.0
Compound_431	Oc1[nH]c(=O)c2c(n1)oc(=O)cc2CCCC1(C)CC1	0.03	0.0
Compound_432	Fc1ccc(c(c1)F)CNC(=O)c1cn2C[C@H]3OC[C@@H](N3C(=O)c2c(c1=O)O)C	0.01	0.0
Compound_433	COc1cc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2c2ccccc2)c(cc1CNC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O)Cl	0.0	0.0
Compound_434	CC[C@](C(=O)NCC(F)(F)F)(Nc1ccnc(n1)c1c[nH]c2c1cccn2)C	0.0	0.0
Compound_435	CC[C@@H](C(=O)N1C[C@H](C[C@H]1Cc1c([nH]c2c1ccc(c2)F)c1[nH]c2c(c1C[C@@H]1C[C@@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC)C)CC)O)ccc(c2)F)O)NC(=O)[C@@H](NC)C	0.01	0.0
Compound_436	CCC[C@H](C(C)(C)C)N(C(=O)c1cc(C)cc(c1)C)NC(=O)c1cccc(c1CC)OC	0.39	0.0
Compound_437	CCCCCC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@H]3[C@@H]2[C@H](C)[C@]2(O3)CC[C@H](CO2)C)C)C1)C	0.64	1.0
Compound_438	C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1N(CCN(C)C)C)OC	0.0	0.0
Compound_439	C=CC(=O)Nc1cccc(c1)Nc1nc(ncc1C(F)(F)F)Nc1ccc(cc1OC)N1CCN(CC1)C(=O)C	0.0	0.0
Compound_440	NCCCC[C@@H](C(=O)N1CCN(CC1)c1ccncc1)NC(=O)[C@H](NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)Cc1cc(Br)c(c(c1)Br)O	0.02	0.0
Compound_441	ClC[C@H]([C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N)CCCNC(=N)N)O	0.03	0.0
Compound_442	O=C(N[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O)CNC[C@@](c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)O)(Cc1ccc2c(c1)c(=O)[nH]c(n2)N)O	0.01	0.0
Compound_443	CC=CC[C@H](OC(=O)N)CC=CNC(=O)[C@H](C(C)(C)C)NC(=O)C=CC=C/C(=C/[C@@H]([C@@H]1CC=C(C(=O)O1)OC)C)/C	0.03	0.0
Compound_444	N#Cc1n(C)nc2c1c1cnc(c(c1)O[C@H](C)c1c(C(=O)N(C2)C)ccc(c1)F)N	0.01	0.0
Compound_445	Nc1nc2NCC(=Nc2c(=O)[nH]1)CO[P@@](=O)(O[P@@](=O)(O[P@@](=O)(O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O)O)O	0.01	0.0
Compound_446	CC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H](C2)N(C)C)O[C@@H]2C[C@H](O)[C@H]([C@@H](O2)C)O[C@H]2CCC(=O)[C@H](O2)C)c2c(C1)cc1c(c2O)C(=O)c2c(C1=O)cccc2O	0.36	0.0
Compound_447	O[C@@H]1[C@@H](CO[P@@](=O)(O[P@@](=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)O)O)O)O[C@H]([C@@H]1OP(=O)(O)O)n1cnc2c1NCN[C@H]2N	0.01	0.0
Compound_448	OP(=O)(C(c1ccc(cc1)C[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccccc1)CCC(=O)O)Cc1ccc(cc1)C(P(=O)(O)O)(F)F)(F)F)O	0.08	0.0
Compound_449	N[C@H]1CC[C@H]([C@@H](N1)C)CNCCN1C(=CN=C([C@H]1O)NCC(c1ccccn1)(F)F)Cl	0.0	0.0
Compound_450	OSCCNC(=O)CCNC(=O)[C@@H](C(CO[P@@](=O)(O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.02	0.0
Compound_451	O1CCN(CC1)c1ccc(cc1)Nc1nc(cn2c1ncc2)c1ccc2c(c1)[nH]nc2	0.02	0.0
Compound_452	O=CC1=C[C@H](N[C@@H]2C(=C)O[C@@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H](C1=O)O)O	0.88	1.0
Compound_453	NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC1CCCCC1)CCC(=O)O)NC(=O)C(=O)[C@H](NC(=O)OCc1ccccc1)CC1CCCCC1	0.03	0.0
Compound_454	CC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H](C2)N(C)C)O[C@H]2C[C@H](O)[C@H]([C@@H](O2)C)O[C@H]2CCC(=O)[C@H](O2)C)c2c([C@H]1O)cc1c(c2O)C(=O)c2c(C1=O)cccc2O	0.18	0.0
Compound_455	COc1cc(cc(c1OCc1ccccc1)OC)C(=O)N[C@H]([C@H](CN(C(=O)CCN1C(=O)c2c(C1=O)cccc2)CC[C@@H]1CC[C@@H]2[C@@H](C1)OCO2)O)Cc1ccccc1	0.09	0.0
Compound_456	O=C(NCC[C@@H](C(=O)O)F)CCNC(=O)[C@@H](C(CO[P@@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.01	0.0
Compound_457	OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)O)N[C@H]1C[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O	0.01	0.0
Compound_458	OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)O)N[C@H]1C=C(CO)[C@H]([C@@H]([C@H]1O)O)O)O)O	0.07	0.0
Compound_459	O=C([C@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(F)(F)F)c1sc2c(n1)nc(nc2)C1CC1)NCc1ccc(c(c1)F)OC(F)(F)F	0.16	0.0
Compound_460	ClCCN1C(=O)O[C@]2(C1=O)C[C@]1(CC)C=CCN3[C@@H]1[C@@]1([C@H]2N(C)c2c1cc(c(c2)OC)[C@]1(C[C@H]2CN(CCc4c1[nH]c1c4cccc1)C[C@](C2)(O)CC)C(=O)OC)CC3	0.03	0.0
Compound_461	Cc1nc2c([nH]1)cc(cc2)n1ncc(c1N)C(=O)c1cc2c([nH]1)cccc2	0.02	0.0
Compound_462	OC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)[nH]c(n2)N	0.0	0.0
Compound_463	OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(C(=O)/C=C/c1n(cnc1C(=O)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O)Cc1ccc2c(n1)c(=O)[nH]c(n2)N	0.01	0.0
Compound_464	CCC(=O)[C@H](c1cc[n+](cc1C(=O)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O)C	0.01	0.0
Compound_465	O[C@@H]1[C@@H](CO[P@](=O)(O[P@](=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)O)O)O[C@H]([C@@H]1O)[n+]1ccc(c(c1)C(=O)N)[C@@H]1CCCCC1=O	0.01	0.0
Compound_466	O=C([C@H](c1cc[n+](cc1C(=O)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO[P@@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O)O)C[C@@H](C(=O)O)N	0.01	0.0
Compound_467	O=C(NCCCN(=O)=O)CCNC(=O)[C@@H](C(CO[P@@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.02	0.0
Compound_468	O[C@@H]1[C@H](O)[C@H](O[C@H]1N1C=C(C[C@@H]([C@@H]1O)O)C(=O)N)CO[P@@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)n1cnc2c1ncnc2N)O)O	0.01	0.0
Compound_469	CCCC[C@H](N1CCN[C@@H](C1=O)Cc1ccccc1)C(=O)O	0.0	0.0
Compound_470	O=c1[nH]c(=O)c2c(n1)n(C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc3c1ncnc3N)O)O)O)O)O)c1c(n2)cc(c(c1)N(C)C)C	0.0	0.0
Compound_471	OOn1cc(c2c1cccc2)C[C@@H](C(=O)O)N	0.02	0.0
Compound_472	FCC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CCCNC(N)N)C	0.14	0.0
Compound_473	COc1cc(C#N)c(cc1CCNCc1ccccc1O)OC	0.03	0.0
Compound_474	CCNC(=O)[C@@H]1C[C@](C1)(F)c1ccc(c(c1)F)CN1CCCC1	0.01	0.0
Compound_475	CCOC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)N(=O)=O)C(=O)OC)C	0.13	0.0
Compound_476	CN(C(=O)c1c(O)c2ccccc2n(c1=O)C)c1ccccc1	0.06	0.0
Compound_477	COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)N(=O)=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C	0.1	0.0
Compound_478	ON=C1/C(=C\2/C(=O)Nc3c2cccc3)/Nc2c1cccc2	0.06	0.0
Compound_479	N#C[C@@H]1CCCN1C(=O)CNC12C[C@H]3C[C@H](C1)CC(C2)(C3)O	0.01	0.0
Compound_480	CCCCN(C[C@@H](c1cc(Cl)cc2c1c1ccc(cc1/C/2=C/c1ccc(cc1)Cl)Cl)O)CCCC	0.2	0.0
Compound_481	CCN(C(=O)c1c(O)c2c(Cl)cccc2n(c1=O)C)c1ccccc1	0.03	0.0
Compound_482	Nc1nc2cc[nH]c2c(=O)[nH]1	0.06	0.0
Compound_483	COc1cc(/C=C/C(=C/C(=O)/C=C/c2ccc(c(c2)OC)OC)/O)ccc1OC	0.85	1.0
Compound_484	COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)N(=O)=O)C(=O)O[C@H]1CCN(C1)Cc1ccccc1)C	0.01	0.0
Compound_485	COc1ccc2c(c1)c1CCN=C3c1n2CCN3C	0.03	0.0
Compound_486	CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O)N(C(=O)c1ccccc1)C	0.01	0.0
Compound_487	COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)N(=O)=O)C(=O)O[C@@H]1CCCN(C1)Cc1ccccc1)C	0.01	0.0
Compound_488	CN1CCC[C@H]1CCNC(=O)c1cn2c3cc4ccccc4cc3oc3c2c(c1=O)cc(c3N1CC[C@@H](C1)c1cnccn1)F	0.0	0.0
Compound_489	CC(=O)C[C@@H](c1c(=O)oc2c(c1O)cccc2)c1ccc(cc1)N(=O)=O	0.04	0.0
Compound_490	OC(=O)CC[C@@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)Cl	0.42	0.0
Compound_491	O=CC[N+](C)(C)C	0.01	0.0
Compound_492	O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2c1cccc2)c1cn2c3c1cccc3CCC2	0.01	0.0
Compound_493	CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O	0.6	1.0
Compound_494	O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)O	0.02	0.0
Compound_495	O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)O	0.02	0.0
Compound_496	O=C1O[C@@H]2[C@H]([C@@H]1[C@]1(O)C[C@@H]3[C@]4([C@@]1([C@@H]2OC4=O)C)O3)C(O)(C)C	0.23	0.0
Compound_497	O[C@@H]1CC(=CC(=O)[C@H]1O)C(=O)O	0.44	0.0
Compound_498	O=CNc1coc2c(c1=O)cc(c(c2)NS(=O)(=O)C)Oc1ccccc1	0.28	0.0
Compound_499	O[C@@H]1C[C@H]2CC[C@@H](C1)N2C	0.02	0.0
Compound_500	OC(=O)[C@H](Cc1c(O)[nH]c2c1cccc2)N	0.05	0.0
Compound_501	O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)O	0.02	0.0
Compound_502	NC(=C)C(=O)O	0.05	0.0
Compound_503	O[C@H](CN1CCN(CC1)[C@@H]1c2ccccc2[C@@H]2[C@H](c3c1cccc3)C2(F)F)COc1cccc2c1cccn2	0.0	0.0
Compound_504	CC=C(CCC(=O)O)N	0.01	0.0
Compound_505	Oc1c(O)c2ccccc2n(c1=O)C	0.2	0.0
Compound_506	Clc1ccc(cc1)NC(=O)N=c1cc([nH]n1c1ccccc1)C(C)(C)C	0.19	0.0
Compound_507	N/C=C/S	0.11	0.0
Compound_508	NC(=O)C(=C)N	0.12	0.0
Compound_509	CC(=O)NCCSSCCNC(=O)[C@@H]1CC[C@H](CC1)NC(=O)c1nccnc1C(=O)O	0.0	0.0
Compound_510	O=c1[nH]c(CN2CCCC2=N)c(c(=O)[nH]1)Cl	0.01	0.0
Compound_511	CC=C(C1=N[C@H](CS1)C(=O)O)N	0.02	0.0
Compound_512	BrC1=C[C@@H]2C(=N1)C(=O)NCC[C@@H]2C1=NC(=NC1=O)N	0.01	0.0
Compound_513	CCCOCCOCCOCCCNC1C(N)C(=O)C1=O	0.01	0.0
Compound_514	COC(=O)CC1=C(N[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C=O)C(=O)O	0.04	0.0
Compound_515	OC[C@H]1CN(C[C@@H]1O)CC1=CN[C@@H]2[C@H]1N=CNC2=O	0.01	0.0
Compound_516	OC1CCN(CC1)S(=O)(=O)c1ccc2c(c1)/C(=C\1/Nc3c([C@]1(C)O)cccc3)/C(=O)N2	0.01	0.0
Compound_517	CC=C(C(=O)O)N	0.04	0.0
Compound_518	S/C=C/NC(=O)CCNC(=O)[C@@H](C(CO)(C)C)O	0.02	0.0
Compound_519	CNC(=C)C(=O)O	0.39	0.0
Compound_520	O=C[C@H]([C@H]1SCC(=C(N1)C(=O)O)C)NC(=O)Cc1cccs1	0.02	0.0
Compound_521	CNC(=CC)C(=O)O	0.04	0.0
Compound_522	Clc1ccc(cc1)C1CCC(=C2C(=C(O)c3c(C2=O)cccc3)O)CC1	0.56	1.0
Compound_523	Oc1ccc(cc1)CC[C@]1(CC(=C(C(=O)O1)Sc1cc(C)c(cc1C(C)(C)C)N)O)C1CCCC1	0.34	0.0
Compound_524	OC(=O)[C@H](CC1=CC(=O)C(=CC1=O)O)N	0.03	0.0
Compound_525	CCC1=C(C)C(=O)N/C/1=C/C1=NC(=Cc2[nH]c(c(c2C)CCC(=O)O)C=C2NC(=O)C(=C2CC)C)C(=C1CCC(=O)O)C	0.01	0.0
Compound_526	NC(=Cc1ccccc1)C(=O)O	0.02	0.0
Compound_527	OCCONC(=O)C1=CC=C([C@H](C1=Nc1ccc(cc1F)I)F)F	0.07	0.0
Compound_528	CC(CCn1c(=O)c(C2=Nc3ccc(cc3S(=O)(=O)N2)NS(=O)(=O)C)c(c2n1ccc2)O)C	0.04	0.0
Compound_529	C[C@H](c1ccccc1)NC1C(=O)C(=O)C1Nc1ccncc1	0.02	0.0
Compound_530	CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccn2	0.01	0.0
Compound_531	CC(CCn1c(=O)c(C2=NS(=O)(=O)c3c(N2)cccc3)c(c2c1cccc2)O)C	0.07	0.0
Compound_532	O[C@H](c1ccccc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)[N+]2(C)C	0.0	0.0
Compound_533	C[C@@H]1CC[C@H](CC1)NCc1ccc2c(c1)Cc1c2[nH]nc1c1ccc(cc1)C(=O)O	0.12	0.0
Compound_534	CC([C@@H]1N(Cc2ccccc2)C(=O)C(=C1O)C1=NS(=O)(=O)c2c1cccc2)C	0.05	0.0
Compound_535	N#CC(=C(O)C)C(=O)Nc1ccc(cc1)c1ccccc1	0.43	0.0
Compound_536	N#C[C@@H]1C[C@H]2[C@@H](N1C(=O)[C@H]([C@]13C[C@@H]4C[C@H](C1)C[C@](C3)(C4)O)N)C2	0.01	0.0
Compound_537	Brc1ccc2c(c1)/C(=C\1/Nc3c(C1=O)cccc3)/C(=O)N2	0.07	0.0
Compound_538	C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](C2)OC1c2ccccc2CCc2c1cccc2	0.01	0.0
Compound_539	O=C(c1ccccc1)C=CC(=C(C(=O)O)O)Cl	0.71	1.0
Compound_540	N#CC(=C(O)C)C(=O)Nc1ccc(c(c1)Cl)c1ccccc1Cl	0.42	0.0
Compound_541	CCOc1cccc(c1)c1ccc(cc1)NC(=O)/C(=C(\O)/C)/C#N	0.43	0.0
Compound_542	O=C(O[C@@H]1CO[C@](OC1)(C)C(=O)O)NCCNC(=O)O[C@@H]1CO[C@@](OC1)(C)C(=O)O	0.01	0.0
Compound_543	O=C(N1CCN(CC1)C(=O)O[C@@H]1CO[C@@](OC1)(C)C(=O)O)O[C@@H]1CO[C@](OC1)(C)C(=O)O	0.01	0.0
Compound_544	Oc1ccc(cc1)/N=N/c1c(N)n[nH]c1N	0.04	0.0
Compound_545	COc1cccc(c1)C(=C1C=Nc2c1c(ccn2)c1cc(F)cc(c1)F)O	0.06	0.0
Compound_546	COC(=O)C[C@@H]1ON=C(C1)c1ccc(cc1)O	0.14	0.0
Compound_547	O=C(c1ccccc1)C=CC=C(C(=O)O)O	0.36	0.0
Compound_548	O/N=C\1/C(=O)N(c2c1cc(F)cc2)Cc1cc(F)cc2c1OCOC2	0.02	0.0
Compound_549	CCCCO[C@@H]1CCC[C@@H]2C1=C(N[C@@H]2[C@H](C=O)CC)C(=O)O	0.05	0.0
Compound_550	CO[C@H]1CCC[C@H]2C1=C(N[C@H]2/C(=C\C)/C=O)C(=O)O	0.02	0.0
Compound_551	Nc1ncc2c(n1)nc(c(c2)c1ccccc1)N1CC=CC1	0.2	0.0
Compound_552	N#C/C(=C(\C1CC1)/O)/C(=O)Nc1ccc(cc1)c1ccccc1	0.17	0.0
Compound_553	N#C/C(=C(/O)\C)/C(=O)Nc1ccc(cc1Cl)c1ccccc1OC	0.27	0.0
Compound_554	CN[C@@H](C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CC[C@@H](CC1)N)Cc1ccccc1	0.01	0.0
Compound_555	COc1cc(C)c2c(c1)c(C(=O)O[C@@H]1[C@@H](O)C=C[C@H]1O)c(cc2)O	0.92	1.0
Compound_556	Fc1ccc(c(c1)Cl)OC(C(=O)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@](C2)(C3)S(=O)(=O)C)(C)C	0.66	1.0
Compound_557	Fc1ccc2c(c1)c(O)c(c(=O)n2CCC1CC1)C1=Nc2ccccc2S(=O)(=O)N1	0.01	0.0
Compound_558	CC(N(c1cc(sc1C(=O)O)c1ccccc1)C(=O)[C@@H]1CC[C@@H](CC1)C)C	0.47	0.0
Compound_559	COc1ccc(cc1)OC(C(=O)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@](C2)(C3)C(=O)N)(C)C	0.16	0.0
Compound_560	CC(Oc1ccc(cc1F)CC[C@]1(CC(=CC(=O)O1)O)C1CCCC1)C	0.23	0.0
Compound_561	O[C@@H]1C=C[C@@](C=C1)(CC(=O)C(=O)O)C(=O)O	0.29	0.0
Compound_562	CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@H](/C(=C(\C(=O)O)/O)/O)O)O	0.53	1.0
Compound_563	CCCCCCCCCc1cc(O)c2c(n1=O)cccc2	0.54	1.0
Compound_564	O=C[C@H](Cc1c[nH]c2c1ccc(c2O)NNc1ccccc1)N	0.04	0.0
Compound_565	CC[C@H](c1c(=O)oc2c(c1O)ccc(c2)OC)c1ccccc1	0.82	1.0
Compound_566	CC[C@H](c1c(=O)oc2c(c1O)cccc2)c1cccc(c1)NC(=O)CNC(=O)OC(C)(C)C	0.16	0.0
Compound_567	C[C@@H](C[C@@H](c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O	0.3	0.0
Compound_568	CSc1nc(c([nH]1)Cc1cccs1)O	0.23	0.0
Compound_569	Clc1ccc(c(c1)Cl)c1nc(N)ncc1/N=N/c1ccccc1	0.6	1.0
Compound_570	O=C1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C	0.9	1.0
Compound_571	N#C[C@@]1(CC[C@@H](CC1)C(=O)O)c1ccc(c(c1)OC1CCCC1)OC	0.34	0.0
Compound_572	C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(N[C@H](C(=O)OC(C)C)C)Oc1ccccc1	0.01	0.0
Compound_573	Fc1ccccc1c1nc2c(n1)cn(cc2)Cc1ccc(nn1)c1ccc(cc1C(F)(F)F)C(F)(F)F	0.01	0.0
Compound_574	COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)N(=O)=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C	0.04	0.0
Compound_575	O=N/C=c\1/ccccn1C	0.02	0.0
Compound_576	CO[C@@H]1CC[C@@H](CC1)C(=O)Nc1nccc(c1)c1ccnc(c1)Nc1ccc(cc1)F	0.08	0.0
Compound_577	O=C(C(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)(C)C)NC1[C@H]2CC3C[C@H]1CC(C2)(C3)C(=O)N	0.01	0.0
Compound_578	OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H]([C@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)N	0.02	0.0
Compound_579	O[C@@H]1CC[C@@H](CC1)NCc1cc(Br)cc(c1N)Br	0.02	0.0
Compound_580	F[C@@H]1C[C@@](C1)(N)C(=O)O	0.07	0.0
Compound_581	F[C@H]1CCN(C1)C(=O)[C@H]([C@@H](C(=O)N(C)C)[C@@H]1CC[C@@H](CC1)c1cccc2n1ncn2)N	0.01	0.0
Compound_582	O=C([C@H]([C@@H](C(=O)N1CCC(C1)(F)F)N)[C@@H]1CC[C@@H](CC1)c1ccc2n(c1)ncn2)N(C)C	0.01	0.0
Compound_583	Nc1nccn2c1c(nc2[C@@H]1C[C@](C1)(C)O)c1ccc2c(c1)nc(cc2)c1ccccc1	0.02	0.0
Compound_584	CCc1cc(CC[C@@]2(CC(=C(C(=O)O2)Cc2nn3c(n2)nc(cc3C)C)O)C2CCCC2)cc(n1)CC	0.02	0.0
Compound_585	O=C(N([C@@H]1CC[C@@H](CC1)c1cccnc1)C1CC1)c1ccc(cc1)[C@@](C(F)(F)F)(O)C	0.05	0.0
Compound_586	N=c1cc(C)n(c2c1cccc2)CCCCCCCCCCn1c(C)cc(=N)c2c1cccc2	0.02	0.0
Compound_587	CO[C@@]12[C@@H]3[C@@H](N3C)CN2C2=C([C@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N	0.0	0.0
Compound_588	O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncn(c2=N)C)COP(=O)(O)O	0.0	0.0
Compound_589	NC(=O)[C@H]([C@H](C(=O)N[C@H]1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2)CCC(F)(F)F)CCC(F)(F)F	0.0	0.0
Compound_590	CCN(c1cc(cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)c1ccc(cc1)CN1CCOCC1)C1CCOCC1	0.0	0.0
Compound_591	CN1CCCN=C1C=Cc1cccs1	0.03	0.0
Compound_592	Fc1ccc(cc1)CN1[C@H]2[C@@H]3CC[C@H]([C@H]2C(=C(C1=O)C1=NS(=O)(=O)c2c(N1)ccc(c2)NS(=O)(=O)C)O)C3	0.02	0.0
Compound_593	COc1cccc(c1)N1CCN(CC1)C1=Nc2c(F)cccc2[C@@H](N1c1cc(ccc1OC)C(F)(F)F)CC(=O)O	0.01	0.0
Compound_594	CCCN1C(=O)[C@H](CCC)C(=O)c2c1[nH]c(n2)[C@H]1C[C@H]2C[C@@H]1[C@H]1[C@@H]2O1	0.0	0.0
Compound_595	O=C1/C(=C/c2ccc(cc2)/C=C/2\[C@@H]3CC[C@@](C2=O)(C3(C)C)CS(=O)(=O)O)/[C@@H]2C([C@@]1(CC2)CS(=O)(=O)O)(C)C	0.15	0.0
Compound_596	O[C@@H](CN(S(=O)(=O)C)C)CN1[C@@H]2CC[C@H]1C[C@H](C2)NC(=O)c1cc2ccccc2n(c1=O)C(C)C	0.01	0.0
Compound_597	O=C(N[C@H]([C@H](C[C@@]1(NC=C(C1=O)[C@@H]1C[C@@H](c2c1cccc2)CC(=O)N)Cc1ccccc1)O)Cc1ccccc1)O[C@@H]1COCC1	0.01	0.0
Compound_598	O=C(C1=C(O)[C@H]2[C@]34[C@](C1)(O)[C@@H](Cc1c4c(O2)c(O)cc1)N(CC3)CC1CC1)NC(c1onc(n1)c1ccccc1)(C)C	0.0	0.0
Compound_599	CCn1c(cc2c1nc(Nc1nn(c(c1)C)C)c1c2n(C)cn1)C(=O)N(C1CC1)C1CC1	0.01	0.0
Compound_600	COc1ccc(c(c1)Nc1nc2ccccc2nc1NS(=O)(=O)c1cccc(c1)NC(=O)C(N)(C)C)Cl	0.02	0.0
Compound_601	OC(=O)[C@H](CCCN[P@@](=O)(NS(=O)(=O)O)N)N	0.03	0.0
Compound_602	O[C@@H]1OC(=C([C@@H]([C@H]1O)O)O)C(=O)O	0.27	0.0
Compound_603	CCN(C(=O)c1c(O)c2c(CC)cccc2n(c1=O)C)c1ccccc1	0.03	0.0
Compound_604	O=C(N(C)C)N[C@@H]1CC[C@@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl	0.02	0.0
Compound_605	COc1cc(C[N+]2(CCOCC[C@H]3CC[C@H]4C[C@H]3C4(C)C)CCOCC2)c(cc1OC)Br	0.04	0.0
Compound_606	CN1C[C@@H]2[C@H](C1)[C@H]2CN(C(=O)c1ncn(c1)C)Cc1ccc(c(c1)Cl)F	0.0	0.0
Compound_607	Fc1ccc(c(c1)F)[C@@H]1CN(C[C@H]1C(=O)N1C[C@H](C)[C@@]([C@@H](C1)C)(O)c1ccccc1)C(C)(C)C	0.02	0.0
Compound_608	CC([C@@H]1CC[C@@H](CC1)C(=O)N[C@@H](C(=O)O)Cc1ccccc1)C	0.01	0.0
Compound_609	CC(CNC(=O)[C@@H]1C[C@](C1)(F)c1ccc(c(c1)F)CN1CCCC1)C	0.01	0.0
Compound_610	Clc1ccc2c(c1)c(c[nH]2)C(=O)C=C(c1nnn[nH]1)O	0.28	0.0
Compound_611	O[C@H]1C[C@H](O)C(=C)/C(=C/C=C2CCC[C@]3([C@H]2CC[C@@H]3[C@@H](C=C[C@@H](C(C)C)C)C)C)/C1	0.06	0.0
Compound_612	OCCNC(=O)c1c(O)c2ncc(cc2n(c1=O)C)Cc1ccc(cc1)F	0.0	0.0
Compound_613	O[C@@H]1CC[C@@H](CC1)Nc1ncc2c(n1)n([C@@H]1COCC1)c(n2)Nc1c(F)cc(cc1F)F	0.06	0.0
Compound_614	N#Cc1ccc(c2c1cccc2)N1[C@@H]2CC[C@H]1C[C@H](C2)O	0.06	0.0
Compound_615	CC1=CC[C@@H](CC1)C(=O)N(c1cc(sc1C(=O)O)C#CC(C)(C)C)[C@@H]1CC[C@@](CC1)(O)CO[C@@H]1COCC1	0.06	0.0
Compound_616	CNC(=O)c1ccc(cc1)Nc1ncc(c(n1)NCc1nccnc1N(S(=O)(=O)C)C)C(F)(F)F	0.12	0.0
Compound_617	OC[C@@H](C(=O)N(CC1CCCCC1)CCN1[C@@H]2CC[C@H]1C[C@H](C2)c1cccc(c1)C(=O)N)O	0.0	0.0
Compound_618	O=C(c1ccc2c(c1)CC[C@H]1[C@]2(CC[C@](C1)(OP(=O)(O)O)C(F)(F)F)Cc1ccccc1)Nc1cccnc1C	0.18	0.0
Compound_619	C[C@@H]1CN(CCN1c1cnc(cn1)C(O)(C)C)c1nnc(c(c1C)C)Cc1ccccc1	0.02	0.0
Compound_620	N[C@@H](C[C@@H]1C=Nc2c1cccc2)COc1cncc(c1)c1ccc2c(c1)ccnc2	0.03	0.0
Compound_621	C[C@H]([C@H]([C@H]1NC(=CS1)C(=O)OCC=C)C=O)OC(=O)C	0.37	0.0
Compound_622	OC[C@H]([C@H]([C@@H](C(=O)CO)OC)O)O	0.12	0.0
Compound_623	OC(=O)Cn1c(O)c(nc1[C@H]([C@@H](O)C)N)Cc1c[nH]c2c1c(F)ccc2	0.02	0.0
Compound_624	O=C([C@H](c1ccc(cc1)N1CCNC1=O)C)N=C1N=NC(=C1)C1CC1	0.01	0.0
Compound_625	OO[C@]1(Cc2ccc(cc2)Br)N=C2N(C1=O)C=C(N[C@H]2Cc1ccccc1)c1ccc(cc1)O	0.01	0.0
Compound_626	OO[C@]1(Cc2ccc(cc2)I)N=C2N(C1=O)C=C(N[C@@H]2Cc1ccccc1)c1ccc(cc1)O	0.0	0.0
Compound_627	OO[C@]1(Cc2ccc3c(c2)cccc3)N=C2N(C1=O)C=C(N[C@H]2Cc1ccccc1)c1ccc(cc1)O	0.01	0.0
Compound_628	OO[C@]1(Cc2ccc(cc2)O)N=C2N(C1=O)C=C(N[C@H]2CC1CCCC1)c1ccc(cc1)O	0.01	0.0
Compound_629	O=CC1=CNC(=CS[C@@H]1c1nnn(c1)C)C(=O)O	0.01	0.0
Compound_630	C/C=C(\CCC(=O)O)/N	0.01	0.0
Compound_631	OC[C@H]([C@@H](CN1C[C@H]([C@@H]([C@H]1CO)O)O)O)OS(O)(O)O	0.03	0.0
Compound_632	OC[C@@H]([C@H]1N=C(C(=O)N1CC(=O)O)Cc1cnc[nH]1)N	0.0	0.0
Compound_633	O=CC=C(Nc1cc(C[C@@H](C(=O)O)N)c(cc1O)O)COc1ccc(cc1)C	0.04	0.0
Compound_634	O=N(=O)c1cccc(c1)/N=C\1/N=CCC(=N1)c1cccc(c1)Cn1cncn1	0.46	0.0
Compound_635	Nc1nc(c(s1)C1=NC(=Nc2ccc(cc2)N2CCOCC2)N=CC1)C	0.04	0.0
Compound_636	CC=CC(=O)C(=O)O	0.43	0.0
Compound_637	SC=CNC(=O)CCNC(=O)[C@@H](C(CO)(C)C)O	0.02	0.0
Compound_638	OC[C@H]([C@H]([C@H](Cn1c(O)c(CCC(=O)O)nc2c1nc(=O)[nH]c2=O)O)O)O	0.0	0.0
Compound_639	O=CN1CCN(CC1)c1ccc(cc1)C[C@@H]1C(=O)Nc2c1cccc2	0.01	0.0
Compound_640	O=CC=CN[C@H]([C@@](S(=O)=O)(Cn1ccnn1)C)C(=O)O	0.01	0.0
Compound_641	N#[N+]CC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1	0.06	0.0
Compound_642	CCSCc1ccc2c(c1)c1c3C(=O)NCc3c3c4c1n2[C@@H]1C[C@@H]([C@](O1)(n4c1c3cc(cc1)CSCC)C)C(=O)OOC	0.05	0.0
Compound_643	Cn1cnc2c1n(C)cnc2=N	0.02	0.0
Compound_644	C=CC[S@](=O)C/C=C/S	0.36	0.0
Compound_645	COCCNCc1ccc(nc1)c1sc2c(c1)nccc2Oc1ccc(cc1F)NC(=S)NC(=O)Cc1ccc(cc1)F	0.07	0.0
Compound_646	NC[C@@H](C(=O)Nc1ccc2c(c1)ccnc2)c1ccc(cc1)COC(=O)c1ccc(cc1C)C	0.01	0.0
Compound_647	Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OP(=O)(O)O)O	0.31	0.0
Compound_648	CCN1C(=O)CNc2c1nc(cn2)c1ccc(nc1C)c1[nH]cnn1	0.02	0.0
Compound_649	O/N=C(/c1nonc1NCCNS(=O)(=O)N)\Nc1ccc(c(c1)Br)F	0.04	0.0
Compound_650	COc1ccc(cc1)[C@@H]1[C@@H](COc2c1ccc(c2)O)c1ccc(cc1)O	0.97	1.0
Compound_651	COc1ccc(c(c1)c1ccc(nc1N)NC(=O)c1ccnn1C)Cl	0.33	0.0
Compound_652	COc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)O)CNc1nc(C)nc(c1C)N1CCC(CC1)c1ccc2c(n1)NCCC2	0.0	0.0
Compound_653	O=C1N(Cc2ccc(o2)C(F)(F)F)c2c([C@@]31COc1c3cc3OCOc3c1)cccc2	0.22	0.0
Compound_654	COc1cc(ccc1N1CCC(CC1)N1CCN(CC1)C)Nc1nc(NC2CCOCC2)c(nc1C(=O)N)CC	0.0	0.0
Compound_655	CCC=CCC=CCC=CCC=CCC=CCCCCO[C@H](C(=O)O)CC	0.72	1.0
Compound_656	O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C	0.0	0.0
Compound_657	CNc1nc2cc(OC)c(cc2c(n1)c1cccc(c1)NC(=O)c1ccc(cc1)C(=O)OC)OC	0.56	1.0
Compound_658	OCCOc1ccc(cc1c1ccc(c(c1)C(C)(C)C)N1CCCC1)c1ccc(cc1)C(=O)O	0.03	0.0
Compound_659	CCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O	0.02	0.0
Compound_660	CNC(=O)c1cc(Cl)c(cc1OC[C@H](CN1CCC2(CC1)Cc1c(O2)ccc(c1)Cl)O)OC(C(=O)O)(C)C	0.15	0.0
Compound_661	N#C[C@@H]1CCCN1C(=O)CN[C@H](CC1(c2nnn[nH]2)c2ccc(cc2CCc2c1ccc(c2)C(=O)N(C)C)C(=O)N(C)C)C	0.01	0.0
Compound_662	COc1cc2c(cc1OC[C@@H]1C[C@H]3[C@@H](C1)CN(C3)C)ncnc2Nc1ccc(c(c1F)Cl)Cl	0.08	0.0
Compound_663	CC/C(=C(\c1ccc2c(c1)cn[nH]2)/c1ccc(cc1)/C=C/C(=O)O)/c1ccc(cc1Cl)F	0.24	0.0
Compound_664	CO[C@@H]1CC[C@@H](CC1)N1C(=O)CNc2c1nc(cn2)c1ccc(nc1)C(O)(C)C	0.02	0.0
Compound_665	CSc1ccc(cc1)C(=O)/C=C/c1cc(C)c(c(c1)C)OC(C(=O)O)(C)C	0.79	1.0
Compound_666	O=C(N(C)C)CCn1nc(nc1c1ccncc1)Nc1ccc2c(c1)OC(O2)(F)F	0.05	0.0
Compound_667	COc1ccc2c(c1)c(CN1CCN(CC1)C)cn2S(=O)(=O)c1ccccc1Br	0.07	0.0
Compound_668	CNC(=O)c1c(C)oc2c1ccc(c2)Oc1ncnc2c1cc(OC)c(c2)OC	0.15	0.0
Compound_669	CCCCCCCCCCCCCCCOC(=O)CCCCCCC	0.95	1.0
Compound_670	C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@H](C[C@H]2O)N)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3	0.03	0.0
Compound_671	O=C(c1noc(c1)c1cc(Cl)c2c(c1)CN(C2=O)[C@H](C1CC1)C)N(C)C	0.44	0.0
Compound_672	Clc1cnc2c(c1)c(c[nH]2)Cc1ccc(nc1)NCc1ccc(nc1)C(F)(F)F	0.03	0.0
Compound_673	Nc1ccc(cn1)C#Cc1cnn2c1nc(cc2C(F)(F)F)c1ccc(cc1)C(F)(F)F	0.6	1.0
Compound_674	OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C	0.0	0.0
Compound_675	Fc1ccc(cc1)C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCN3C	0.01	0.0
Compound_676	COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c2c1nccc2)c1ncc[nH]1	0.07	0.0
Compound_677	Nc1ncc(nc1Nc1ccc2c(c1)cc[nH]2)c1ccncc1	0.19	0.0
Compound_678	CC(c1cc2[nH]c(=O)n(c(=O)c2cc1c1ccnn1C)NS(=O)(=O)C)C	0.2	0.0
Compound_679	NC(=O)O[C@H](c1ccccc1Cl)Cn1nncn1	0.02	0.0
Compound_680	OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](Oc1cc(C)c(c(c1)C)c1ccc(cc1)C(C)(C)C)CCC(F)(F)F	0.03	0.0
Compound_681	C[C@@H](C(F)(F)F)Oc1ccc(cc1C(F)(F)F)c1onc(n1)c1ccc2c(c1)nc[nH]2	0.02	0.0
Compound_682	N#Cc1ccc(cc1Cl)c1ccn(n1)C[C@@H](NC(=O)c1[nH]nc(c1)[C@H](O)C)C	0.07	0.0
Compound_683	O=C(c1ccc2c(c1)[nH]c(n2)C)N1CCC2(CC1)CC(=O)c1c(C2)cnn1C(C)C	0.04	0.0
Compound_684	OC(=O)CNC(=O)c1ncc(cc1O)c1cccc(c1)Cl	0.01	0.0
Compound_685	OCCO[C@@H]1CC[C@@H](CC1)n1c(=O)c(cc2c1nc(N)nc2C)c1ccc(nc1)OC	0.01	0.0
Compound_686	COc1cc2c(ccnc2cc1OCC1(N)CC1)Oc1ccc2c(c1F)cc([nH]2)C	0.01	0.0
Compound_687	O=C([C@@H]1C[C@@]1(COc1cnc(nc1C)C)c1cccc(c1)F)Nc1ccc(cn1)F	0.0	0.0
Compound_688	O[C@@H](c1ccc(cc1)[C@@H](N)C)CNC(C)(C)C	0.02	0.0
Compound_689	O=C1CC[C@@H](C(=O)N1)N1Cc2c(C1=O)cccc2OCc1ccc(cc1)CN1CCOCC1	0.0	0.0
Compound_690	COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)CC[C@@H](c1ccc(cc1)F)OC(=O)N)Cl	0.0	0.0
Compound_691	FC(c1cc(ccc1F)c1cnnc(c1)Cn1ccnc1C)F	0.05	0.0
Compound_692	N#CCC1(CN(C1)C1CCN(CC1)C(=O)c1ccnc(c1F)C(F)(F)F)n1ncc(c1)c1ncnc2c1cc[nH]2	0.0	0.0
Compound_693	CC[C@H](Nc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3c2ccc(cn2)C(=O)C2CC2)c(cc1C(=O)N)C)C	0.0	0.0
Compound_694	Fc1ccc(cc1)C(=O)CN1CCC(CC1)CN1Cc2c(C1=O)cccc2	0.03	0.0
Compound_695	CCN1CCN(C[C@H](C1)NC(=O)c1cc(Br)c(cc1OC)NC)C	0.0	0.0
Compound_696	Fc1ccc(c(c1)C(F)(F)F)N1CCN([C@@H](C1)C)S(=O)(=O)c1cccc(c1)[C@](C(F)(F)F)(O)C	0.14	0.0
Compound_697	NCCCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)c2cc(ccc2OCC[C@H](NC1=O)C(=O)NCC(=O)O)N(=O)=O	0.02	0.0
Compound_698	O=C(CCn1cnc2c1[nH]cnc2=O)NCCCN1CCCC1=O	0.0	0.0
Compound_699	OCCCCCCCCCCCCC1=C(C)C(=O)C(=C(C1=O)OC)OC	0.16	0.0
Compound_700	CN(Cc1ccc2c(n1)c(O)c(cc2Cl)Cl)C	0.11	0.0
Compound_701	CC[N+](CCCn1c(c2ccccc2)c2cc(N)ccc2c2c1cc(=N)cc2)(CC)C	0.01	0.0
Compound_702	CN1CCC(CC1)(CC(=O)N([C@H](c1cc(Cl)cc2c1cccc2)C)C)c1ccc(cc1)F	0.04	0.0
Compound_703	O=c1cnc2c3n1[C@H](CN1CCC(CC1)NCc1ncc4c(c1)CCCO4)Cn3c(=O)cc2	0.0	0.0
Compound_704	CCC[C@@]([C@H]1C[C@]23C=C[C@@]1(OC)[C@H]1[C@]43CCN([C@@H]2Cc2c4c(O1)c(O)cc2)C)(O)C	0.54	1.0
Compound_705	FC(Oc1cc2cc(ccc2cc1OC(F)F)[C@](c1nn[nH]c1)(C(C)C)O)F	0.33	0.0
Compound_706	COc1ccc2c(c1)c(CCNC(=O)c1occc(=O)c1)c[nH]2	0.03	0.0
Compound_707	CN(CCn1cc(c2c1cc(Cl)cc2)C(=O)N1CCC2(CC1)OCc1c2cccc1)C	0.03	0.0
Compound_708	COCCOc1cc(cc(c1)OCCOC)Cn1c2ccccc2c(c1C(=O)O)c1ccc(cc1)C(C)(C)C	0.28	0.0
Compound_709	CN1CCC[C@H]1CCNC(=O)c1cn2c3cc4ccccc4cc3oc3c2c(c1=O)cc(c3N1CC[C@H](C1)c1cnccn1)F	0.0	0.0
Compound_710	Oc1ccc(cc1)[C@@H]1COc2c([C@@H]1c1ccc(cc1)O)ccc(c2C)O	0.98	1.0
Compound_711	COC(=O)c1cccc(c1)CCN(CCC[C@@](c1ccc(c(c1)OC)OC)(C(C)C)C#N)C	0.02	0.0
Compound_712	O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NNC(=O)[C@@H]1CCCNC1	0.02	0.0
Compound_713	CO[C@H](Cn1c(=O)n(c2c1c1cc(ccc1nc2)c1cncc(c1)C(O)(C)C)C)C	0.01	0.0
Compound_714	CC(=O)N(CCCn1c(=O)[nH]c2c(c1=O)cccc2)CCCCNCCCn1c(=O)[nH]c2c(c1=O)cccc2	0.01	0.0
Compound_715	NC(=O)[C@@H]([C@@H](c1nc2c([nH]1)ccc(c2)C(C)(C)C)N)C	0.11	0.0
Compound_716	COc1cc(/C=C/c2ccc(c(c2OP(=O)(O)O)OP(=O)(O)O)OC)cc(c1OC)OC	0.7	1.0
Compound_717	O=C(/C=C/c1cccnc1)NCc1ccc(cc1)C(=O)Nc1ccc(cc1N)F	0.09	0.0
Compound_718	CCCCCCCCCCCCCCOc1ccc(o1)C(=O)OCC(=O)N(CC(=O)OCC)C	0.71	1.0
Compound_719	Fc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]1(C)NC(=N)N(S(=O)(=O)C1)C)F	0.09	0.0
Compound_720	N#CC1=C[C@@]2(C)[C@H](C(C1=O)(C)C)CC[C@@]1(C2=CC(=O)[C@H]2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)NC(=O)C(F)(F)C)C	0.19	0.0
Compound_721	O=n1cccc(c1)c1nc2c(cc1[C@H](C(F)(F)F)Nc1ncnc3c1nccc3)cccc2Cl	0.04	0.0
Compound_722	O[C@@H]1CC[C@@H](CC1)NC(=O)[C@@H]1N[C@H]([C@]2([C@H]1c1cccc(c1F)Cl)C(=O)Nc1c2ccc(c1)Cl)CC(C)(C)C	0.15	0.0
Compound_723	C[C@H]1O[C@@H](C)[C@H]2N(C1)c1c(CC32C(=O)NC(=O)NC3=O)cc2c(c1F)onc2N1[C@@H](C)COC1=O	0.0	0.0
Compound_724	FCCOCCOCCOc1ccc(cn1)C=Cc1ccc(cc1)NC	0.07	0.0
Compound_725	Fc1ccc(cc1)c1noc(c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)C	0.08	0.0
Compound_726	CCO[C@H](C(=O)O)Cc1ccc(cc1)OCCn1c(C)ccc1c1ccc(cc1)SC	0.16	0.0
Compound_727	O=C1CCN(C=C1)c1c(F)cc(c(c1F)F)N1C[C@@H](OC1=O)CNc1ccon1	0.0	0.0
Compound_728	OCCN1CCN(CC1)[C@H]1CCCc2c(C1)ccc(c2OC)Nc1ncc(c(n1)Nc1ccccc1C(=O)NC)Cl	0.0	0.0
Compound_729	N[C@H]1CCN(C1)c1nc2cc(nn2cc1C)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1NS(=O)(=O)C	0.07	0.0
Compound_730	N#Cc1cc(ccc1F)NC(=O)[C@H]1c2ccccc2C(=O)N([C@@H]1c1cccnc1)CC(F)(F)F	0.05	0.0
Compound_731	SCCNC(=O)c1cccc(c1)C(=O)NCCS	0.06	0.0
Compound_732	OC(=O)Cc1ccc(cc1)N1CC[C@@H](C1)N[C@@H](c1cccc2c1cccc2)C	0.04	0.0
Compound_733	COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1P(=O)(C)C)Cl)N1CCC(CC1)N1CCN(CC1)C	0.01	0.0
Compound_734	CCCCC[C@H](/C=C/c1ccccc1/C=C/[C@H]([C@H](CCCC(=O)O)O)O)O	0.2	0.0
Compound_735	C[C@H]([C@@H](C(=O)N)NC(=O)[C@@]1(CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)N)Cc1ccccc1)O	0.0	0.0
Compound_736	Cn1ncc(c1)c1cnc2c(n1)n(nn2)[C@H](c1ccc2n(c1)ccn2)C	0.03	0.0
Compound_737	O[C@@H]1CCN(C1)c1ncc(cc1c1ccn[nH]1)C(=O)Nc1ccc(cc1)OC(Cl)(F)F	0.0	0.0
Compound_738	Clc1ccc(c(c1)Cl)[C@H](Cn1cncc1)OCc1ccc(cc1)C(F)(F)F	0.52	1.0
Compound_739	Clc1ccc(cc1)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(c(c2)S(=O)(=O)C(F)(F)F)N[C@@H](CSc2ccccc2)CCN2CCOCC2)CC(CC1)(C)C	0.04	0.0
Compound_740	Clc1ccc(cc1)C1=C(CCC(C1)(C)C)CN1CCN(CC1)c1ccc(c(c1)Oc1cnc2c(c1)cc[nH]2)C(=O)NS(=O)(=O)c1ccc(c(c1)N(=O)=O)NCC1CCOCC1	0.02	0.0
Compound_741	OC[C@H]1O[C@H](Oc2ccc(cc2c2cccc(c2)CC(=O)O)CCCCCCc2ccc(c(c2)c2cccc(c2)CC(=O)O)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O	0.26	0.0
Compound_742	C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC1CCCC1)Oc1cc(nc2c1ccc(c2Br)OC)c1csc(n1)NC(=O)C(C)C)C(=O)O	0.2	0.0
Compound_743	COc1ccc(cc1)S(=O)=O	0.96	1.0
Compound_744	CCOCCOC(=O)N[C@H]([C@H](C[C@@]1(NC=C(C1=O)[C@H]1c2ccccc2[C@@H]2[C@H]1OC(=O)N2)Cc1ccccc1)O)Cc1ccccc1	0.02	0.0
Compound_745	O/N=C/c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(C1=O)Cc1csc(n1)C)C(C)C)O)CC(C)C	0.03	0.0
Compound_746	COc1ccc2c(c1)[C@@H]1C[C@@]1(Cn1c2c(C2CCCCC2)c2c1cc(cc2)C(=O)NS(=O)(=O)N(C)C)C(=O)N1[C@@H]2CC[C@H]1CN(C2)C	0.08	0.0
Compound_747	CC[C@@H]([C@H](N(C(=O)[C@H](C(C)C)NC(=O)[C@@H](N(C(=O)CCCCCN1C(=O)C=CC1=O)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C)OC)OC)C	0.07	0.0
Compound_748	CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCC=CCCCCCCCC)CO[P@](=O)(O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O)O	0.66	1.0
Compound_749	O=C(N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)C)C)CCC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)Cc1ccccc1)C(=O)O)CC[C@H](C(=O)O)NC(=O)C	0.02	0.0
Compound_750	COc1cc2oc(=C)c(=O)[nH]c2c(c1)C(=O)O[C@H]1COC(=O)C[C@H](N)c2cc(c(O[C@@H]3c4ccc1cc4C1=CC=C[C@]31O[C@@H]1OC(C)(C)[C@H]([C@H]([C@H]1O)O)N(C)C)c(c2)Cl)O	0.06	0.0
Compound_751	CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@](=O)Cc1cncn1CCC	0.07	0.0
Compound_752	OS(c1ccc(cc1)C1=c2ccc(=C(c3ccc([nH]3)C(=c3[nH]c(=C(c4[nH]c1cc4)c1ccc(cc1)S(O)(O)O)cc3)c1ccc(cc1)S(O)(O)O)c1ccc(cc1)S(O)(O)O)[nH]2)(O)O	0.19	0.0
Compound_753	SC[C@H](C(=O)N)NC(=O)CCCCCNC(=O)[C@@H](NC(=O)[C@H](NC(=O)Cc1ccc(cc1)C(P(=O)(O)O)(F)F)CC(=O)O)Cc1ccc(cc1)C(P(=O)(O)O)(F)F	0.07	0.0
Compound_754	OC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)OC)Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CC(C)C	0.03	0.0
Compound_755	O=C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)c1c(I)c(NC(=O)C)c(c(c1I)N(C(=O)C)C)I	0.03	0.0
Compound_756	CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]2[C@@H](C1)C2)Oc1cc(nc2c1ccc(c2Cl)OCCN1CCOCC1)c1csc(n1)NC(C)C)C(=O)O	0.2	0.0
Compound_757	COCCOCCOCCOc1cc2N=Cc3[nH]c(c(c3C)CCCO)C=c3[nH]c(=CC4=NC(=CNc2cc1OCCOCCOCCOC)C(C)C4CCCO)c(c3CC)CC	0.02	0.0
Compound_758	CN(CCNC(=O)COc1c2cccc1Cc1cccc(c1OCC(=O)NCCN(C)C)Cc1c(c(Cc3c(c(C2)ccc3)OCC(=O)NCCN(C)C)ccc1)OCC(=O)NCCN(C)C)C	0.01	0.0
Compound_759	NC(=N)NCCCCC(=O)Nc1cc(cc(c1O[C@H]1CNCC1)NC(=O)c1ncnc(c1)C(=O)Nc1cc(cc(c1O[C@H]1CNCC1)NC(=O)CCCCNC(=N)N)C(F)(F)F)C(F)(F)F	0.01	0.0
Compound_760	COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1[nH]cc(n1)c1ccc2c(c1)O[C@H](n1c2cc2c1ccc(c2)c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)c1ccccc1)C(C)C	0.01	0.0
Compound_761	COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1[nH]c2c(n1)cc(cc2)c1csc2c1scc2c1ccc(cc1)c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)NC(=O)OC)C(C)C	0.02	0.0
Compound_762	O=n1cc(Cl)c(c(c1)Cl)C[C@@H](c1ccc(c(c1)OCC1CC1)OC(F)F)OC(=O)c1ccc(c(c1)OCC1CC1)NS(=O)(=O)C	0.15	0.0
Compound_763	COc1ccc2c(c1Cl)nc(cc2O[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](CCCCCCC[C@H]1[C@](NC2=O)(C1)[P@@](=O)(Cc1c(F)cccc1F)O)NC(=O)OC1CCCC1)c1csc(n1)NC(C)C	0.21	0.0
Compound_764	COc1cc2c(ncnc2cc1OCCCN1CCN(CC1)C)Nc1ccc2c(c1)sc(n2)NC(=O)Nc1cc(C)ccc1OC	0.03	0.0
Compound_765	CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCC(=O)N	0.02	0.0
Compound_766	CCCC[C@]1(CC)CS(=O)(=O)c2c([C@H]([C@H]1O)c1cccc(c1)NC(=O)N[C@@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1O)OCc1ccccc1)O)cc(cc2)N(C)C	0.21	0.0
Compound_767	CC(OC(=O)CCC[C@H]1CC[C@H]2[C@@H](OC1)C[C@H]([C@@H]2/C=C/[C@H](COc1cc(F)ccc1F)O)O)C	0.18	0.0
Compound_768	OC[C@@H](COc1c(C)cc(cc1CC)c1noc(n1)c1cc(OC)nc(c1)C1CCCC1)O	0.01	0.0
Compound_769	Fc1ccc(c(c1)F)[C@](C(c1ccc(cn1)c1ccc(cc1)OCC(F)(F)F)(F)F)(Cn1cnnn1)O	0.18	0.0
Compound_770	O[C@@H]1[C@@H](CN([C@@H]2C[C@H](C2)CCc2nc3c([nH]2)ccc(c3)C(C)(C)C)C(C)C)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N	0.0	0.0
Compound_771	COc1cc(OC)cc(c1)N(c1ccc2c(c1)nc(cn2)c1cnn(c1)C)CCNC(C)C	0.01	0.0
Compound_772	CNCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C)Cc1nc[nH]c1)C(C)C)Cc1ccc(cc1)O)C(C)C)CCCNC(=N)N	0.01	0.0
Compound_773	NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@H](C(=O)N)[C@H](O)C)NC(=O)[C@@H](Cc1ccccc1)N)Cc1c[nH]c2c1cccc2	0.01	0.0
Compound_774	CN(C[C@@H]1O[C@H]2[C@@H](O1)[C@]1(C)CC[C@@H]3[C@]([C@H]1[C@@H]([C@]1(C(C2=C(C)[C@@H](OC(=O)[C@@H]([C@H](c2ncccc2F)NC(=O)OC(C)(C)C)O)C1)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C)C	0.03	0.0
Compound_775	O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@@H]([C@@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O	0.2	0.0
Compound_776	O=C(NCCSCC(=O)NCCc1c[nH]c2c1cccc2)CCNC(=O)[C@@H](C(CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.02	0.0
Compound_777	CC(=CC=C/C=C(/C=C/C=C(C(=O)O)C)\C)/C=C/C=C(C(=O)O)C	0.43	0.0
Compound_778	CC[C@]1(c2cccc(c2)NS(=O)(=O)C)[C@H]2[C@@H]1CN(C2)CC1(O)Cc2c(C1)cccc2	0.01	0.0
Compound_779	O[C@H]1C[C@@H](O[C@@H]1CO[P@](=O)(O[P@](=O)(O[P@](=O)(O[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O)O)O)O)n1cc(C)c(=O)[nH]c1=O	0.0	0.0
Compound_780	COC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@@H]([C@H](c3ccccc3)NC(=O)c3ccccc3)O)C(=C(C2(C)C)[C@H](C1=O)OC(=O)C)C)C)O	0.14	0.0
Compound_781	CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@H](C(CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.01	0.0
Compound_782	OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O)OCCNC[C@H]1CCCNC1)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O)N	0.0	0.0
Compound_783	CC(C[C@@H]([C@H](C(=O)O[C@@H]1C(=C2[C@@H](OC(=O)C)C(=O)[C@]3([C@H]([C@@H]([C@]4([C@H]1OC(=O)O4)C2(C)C)OC(=O)c1ccccc1)[C@@]1(CO[C@@H]1C[C@@H]3O)OC(=O)C)C)C)O)NC(=O)OC(C)(C)C)C	0.09	0.0
Compound_784	CCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC)CCCN=C(N)N)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@H](CC)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CN(C(=O)C)C	0.04	0.0
Compound_785	CNC(=O)[C@H]([C@H]1C(=O)/C(=C(/C=C/C(=C/[C@H]([C@H]2O[C@@]3(C)O[C@@H]([C@@H]2C)C=C[C@@]23OC2)C)/C)\O)/C(=O)N1[C@@H]1CC[C@@H]([C@@H](O1)C)O)C	0.01	0.0
Compound_786	OC(=O)c1ccc(cc1)OCCn1cncc1	0.02	0.0
Compound_787	CC(=O)N1CCCC[C@H]1C(=O)O	0.01	0.0
Compound_788	OC[C@H]([C@H]([C@@H]([C@H](C(=O)NCCCN(C(=O)CC[C@H]([C@H]1CC[C@@H]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)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O	0.03	0.0
Compound_789	COC(=O)[C@@H]1[C@H]2C[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3[C@@H]4[C@]5(C[C@H](C[C@@H]4CC)C3)C(=O)OC)c3c(C[C@H]1N(C/C/2=C/C)C)c1ccccc1[nH]3	0.02	0.0
Compound_790	NC[C@H](C[C@H]1O[C@@H]2[C@@H]([C@H]1OC)CC(=O)C[C@@H]1CC[C@H]3[C@H](O1)[C@@H]1O[C@]4(CC[C@@H]5O[C@@H](CC[C@@H]6O[C@H](C2)C(=C)[C@@H](C6)C)C(=C)C5)O[C@@H]2[C@H](O3)[C@H]1O[C@@H]2C4)O	0.02	0.0
Compound_791	COc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@]2(O)[C@@H](C2(C)C)O[P@@](=O)(O[P@](=O)(OC[C@H]2O[C@H]([C@H]([C@@H]2OP(=O)(O)O)O)n2cnc3c2ncnc3N)O)O)cc(c1O)OC	0.03	0.0
Compound_792	COc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(CO[P@](=O)(O[P@](=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(O)O)O)n2cnc3c2ncnc3N)O)O)(C)C)O)cc(c1O)O	0.02	0.0
Compound_793	OS(=O)(=O)OC[C@@]1(O[C@H]2O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]2OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]([C@H]([C@@H]1OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O	0.07	0.0
Compound_794	OC[C@H]1O[C@@H](NC(=O)C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CNC(=O)C[C@H](NC2=O)C(=O)N[C@@H](Cc2c[nH]c4c2cccc4)C(=O)N[C@H](C(=O)N3)Cc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C	0.01	0.0
Compound_795	CCC(=O)O[C@H]1C[C@H]2OC[C@]2([C@@H]2[C@]1(C)C(=O)[C@H](O)C1=C(C)[C@H](C[C@@]([C@H]2OC(=O)c2ccccc2)(C1(C)C)O)OC(=O)[C@@H]([C@H](c1ccco1)NC(=O)OC(C)(C)C)O)OC(=O)C	0.1	0.0
Compound_796	CCOc1ccc(cc1F)Cc1cc(ccc1Cl)[C@@]12OC[C@](O1)(CO)[C@H]([C@@H]([C@H]2O)O)O	0.11	0.0
Compound_797	Nc1ccc2c(c1)c(c1ccccc1)n(c1c2ccc(=N)c1)CCCCCCc1cnnn1CCNc1c2CCCCc2nc2c1cccc2	0.03	0.0
Compound_798	Nc1ccc2c(c1)c(c1ccccc1)n(c1c2ccc(=N)c1)CCCCCCc1nnn(c1)CCNc1c2CCCCc2nc2c1cccc2	0.03	0.0
Compound_799	CSCO[C@H]1C[C@H]2OC[C@]2([C@@H]2[C@]1(C)C(=O)[C@H](OC(=O)C)C1=C(C)[C@H](C[C@@]([C@H]2OC(=O)c2ccccc2)(C1(C)C)O)OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)OC(=O)C	0.33	0.0
Compound_800	Nc1cccc(c1)B(O)O	0.91	1.0
Compound_801	CCCCB(O)O	0.94	1.0
Compound_802	OB(c1ccc(cc1)C(=O)O)O	0.18	0.0
Compound_803	OB(c1cc2c(s1)cccc2)O	0.98	1.0
Compound_804	OC(=O)/C=C/c1ccc(cc1)B(O)O	0.32	0.0
Compound_805	OB(CCc1ccccc1)O	0.85	1.0
Compound_806	CC([C@@H](C(=O)N1CCC[C@H]1B(O)O)N)C	0.23	0.0
Compound_807	COCCC[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1	0.11	0.0
Compound_808	CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccccc4c(c3Cn1c2=O)CC[Si](C)(C)C	0.03	0.0
Compound_809	OB([C@@H]1CCCN1C(=O)CN[C@H]1CNCC1)O	0.04	0.0
Compound_810	OB(c1ccc(cc1)c1ccc(cc1)B(O)O)O	0.82	1.0
Compound_811	OB([C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)c1cccc(n1)c1ccccc1)CC(C)C)O	0.21	0.0
Compound_812	N#Cc1ccc(cc1)Oc1ccc2c(c1)COB2O	0.91	1.0
Compound_813	OC(=O)[C@H](CCCC[B-](O)(O)O)N	0.06	0.0
Compound_814	OB(CNC(=O)Cc1cccs1)O	0.21	0.0
Compound_815	ICC(=O)Nc1cccc(c1)B(O)O	0.85	1.0
Compound_816	CC[Si](C)(C)C	0.95	1.0
Compound_817	NCCCCOB1OCCO1	0.19	0.0
Compound_818	O[B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(OC[C@@H](C(=O)O)N)O	0.04	0.0
Compound_819	CC(=O)N[C@H](B(O)O)Cc1cccc(c1)C(=O)O	0.07	0.0
Compound_820	CC(=O)N[C@@H]([B-](OC[C@@H](C(=O)O)N)(O)O)Cc1cccc2c1cccc2	0.04	0.0
Compound_821	CCOc1ccc2c(c1C(=O)NCB(O)O)cccc2	0.49	0.0
Compound_822	OB(c1cccc(c1)NS(=O)(=O)c1scc(c1)S(=O)(=O)c1ccccc1)O	0.55	1.0
Compound_823	NC(=N)NCCCOB1OCCO1	0.07	0.0
Compound_824	OC(=O)C[C@H]([Si](C)(C)C)C(=O)O	0.05	0.0
Compound_825	OB(CNC(=O)C(=NOC(C(=O)O)(C)C)c1csc(n1)N)O	0.03	0.0
Compound_826	NC(=N)c1ccc(cc1)COB1OCCO1	0.22	0.0
Compound_827	OB1OCCO1	0.58	1.0
Compound_828	OC(=O)[C@H](CC/C=C/[B-](O)(O)O)N	0.04	0.0
Compound_829	CC(C[C@@H](B(O)O)NC(=O)[C@@H](Cc1cccc2c1cccc2)NC(=O)N1CCOCC1)C	0.08	0.0
Compound_830	NCCCC[C@@H](B(OCC)OCC)N	0.53	1.0
Compound_831	OC[C@@H]1COB(O1)c1ccc(cc1)[C@@H](OC(=O)c1cccnc1)CNC(=N)N	0.02	0.0
Compound_832	OC[C@@H]1COB(O1)c1ccc(cc1)CCNC(=N)N	0.04	0.0
Compound_833	OC[C@@H]1COB(O1)c1ccc(cc1)NC(=N)N	0.03	0.0
Compound_834	OB([C@H](Cc1ccccc1)N)O	0.1	0.0
Compound_835	CC(=O)N[C@H](B(O)O)Cc1cccc(c1O)C(=O)O	0.03	0.0
Compound_836	O=C(Cc1ccccc1)N[C@H](B(O)O)Cc1cccc(c1)C(=O)O	0.05	0.0
Compound_837	OB([C@@H]1CCCN1C(=O)[C@@H]1CCCN1)O	0.05	0.0
Compound_838	CCCCCCCCc1ccc2n1[B](=N1=C(CCCCC(=O)O)C=CC1=C2)(F)F	0.09	0.0
Compound_839	OB(c1ccc(c(c1)NS(=O)(=O)c1scc(c1)S(=O)(=O)c1ccccc1)C(=O)O)O	0.15	0.0
Compound_840	CON=C(c1csc(n1)N)C(=O)NCB(O)O	0.04	0.0
Compound_841	NCCCC[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C	0.04	0.0
Compound_842	NCCCCC[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C	0.04	0.0
Compound_843	NCCC[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C	0.07	0.0
Compound_844	OC[C@@H]1COB(O1)c1ccc(cc1)CNC(=N)N	0.03	0.0
Compound_845	Cc1ccc(cc1)S(=O)(=O)N1N=Cc2c(B1O)cccc2	0.52	1.0
Compound_846	N#Cc1cccc(c1)C[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N	0.07	0.0
Compound_847	O=C(N[C@@H](c1cccc(c1)C(=O)O)B(O)O)Cc1cccs1	0.05	0.0
Compound_848	O=C(N[C@@H](c1ccccc1)B(O)O)Cc1cccs1	0.04	0.0
Compound_849	CC(=O)N[C@H]([B-](O)(O)O)Cc1cccc2c1cccc2	0.1	0.0
Compound_850	CC(=O)N[C@@H]([B-](O)(O)O)Cc1cccc2c1cccc2	0.1	0.0
Compound_851	CCCS(=O)(=O)N1N=Cc2c(B1O)cc(s2)C	0.36	0.0
Compound_852	O[B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)O	0.15	0.0
Compound_853	OB([C@@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)CC(C)C)O	0.03	0.0
Compound_854	Clc1ccc2c(c1)COB2O	0.82	1.0
Compound_855	Fc1ccc2c(c1)COB2O	0.84	1.0
Compound_856	CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)[Si](C(C)(C)C)(C)C)O	0.06	0.0
Compound_857	C[C@H](C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C)Cc1cc(C)cc(c1O)n1nc2c(n1)cccc2	0.51	1.0
Compound_858	CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(CO[P@@](=O)(O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.02	0.0
Compound_859	CCCCCCCCC=CCCCCCCCC(=O)OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N	0.01	0.0
Compound_860	Nc1nc(=O)c2c([nH]1)N[C@H]1[C@@H](N2)C(=C([C@H](O1)CO[P@@](=O)(O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)S)S	0.02	0.0
Compound_861	O=C(NCCSC(=O)/C=C/c1ccc(cc1)N(C)C)CCNC(=O)[C@@H](C(CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.02	0.0
Compound_862	OC(=O)[C@H](CSCC[B-](O)(O)O)N	0.03	0.0
Compound_863	O=C(NCCNC(=O)CCC(=O)O)CCNC(=O)[C@@H](C(CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.01	0.0
Compound_864	O=C(NCCSCC(=O)c1ccc(cc1)O)CCNC(=O)[C@@H](C(CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.01	0.0
Compound_865	O=C(NCCSCc1ccc(cc1)O)CCNC(=O)[C@@H](C(CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.02	0.0
Compound_866	O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)N)CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)n1c(Br)nc2c1ncnc2N)O)O	0.03	0.0
Compound_867	O=C(NCCSC(=O)CCCN(=O)=O)CCNC(=O)[C@@H](C(CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.02	0.0
Compound_868	NCCCCNCCCNC(=O)CNC(=O)[C@@H](NC(=O)CC[C@H](C(=O)O)N)CSSC[C@@H](C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CC[C@H](C(=O)O)N	0.04	0.0
Compound_869	O=C(NCCSCC(=O)C(F)(F)F)CCNC(=O)[C@@H](C(CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.02	0.0
Compound_870	O=C(NCCSC[C@@H](C(=O)O)C)CCNC(=O)[C@@H](C(CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	0.01	0.0
Compound_871	CO[Si](O[Si](C)(C)C)(C)C	0.06	0.0
Compound_872	CC(=O)N[C@H]([B-](OC[C@@H](C(=O)O)N)(O)O)Cc1cccc2c1cccc2	0.04	0.0
Compound_873	OC(=O)C[C@@H]([Si](C)(C)C)C(=O)O	0.05	0.0
Compound_874	CCCCC[C@H](SCC=O)C/C=C/C(=O)SCCNC(=O)CCN[C@@H](C(=O)C(CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)[n+]1c[nH]c2c1ncnc2N)O)O)(C)C)O	0.01	0.0
Compound_875	CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1[nH]cnc1)[C@H](CC)C)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCCN=C(N)N	0.01	0.0
Compound_876	CN[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N)CC(C)C)Cc1ccccc1)Cc1ccccc1)C(C)C)CC(C)C	0.13	0.0
Compound_877	OC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N	0.0	0.0
Compound_878	OCCC(=CC(=O)N(CCC[C@@H](C(=O)OCC/C(=C/C(=O)N(CCC[C@@H]1NC(=O)[C@@H](NC1=O)CCCN(C(=O)C=C(CCO)C)O)O)/C)NC(=O)C)O)C	0.07	0.0
Compound_879	OCCCOc1cccc2c1B(O)O[C@@H]2CN	0.09	0.0
Compound_880	O=C([C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](Cc1csc2c1cccc2)NC(=O)C1CCNCC1)N[C@H](C(=O)NC1(CCNCC1)C(=O)N)Cc1ccccc1	0.01	0.0
Compound_881	Fc1ccc(c(c1)C(F)(F)F)C(=O)Nc1ccc2c(c1)B(O)OC2(C)C	0.78	1.0
Compound_882	O=C(N[C@H](C(=O)O)CCC(=O)O)CC[C@@H](C(=O)O)NC(=O)[C@@H](O[P@](=O)(OC[C@H]([C@H]([C@H](Cn1c2cc(O)ccc2cc2c1nc(=O)[nH]c2=O)O)O)O)O)C	0.01	0.0
Compound_883	C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(cc2)N2CCN(CC2)C)nc2c1scc2	0.01	0.0
Compound_884	N#Cc1ccc(c2c1cccc2)c1cnccc1SC(C(=O)O)(C)C	0.62	1.0
Compound_885	OC(=O)CN(Cc1cc(COP(=O)(O)O)nc(c1O)C)CCN(Cc1cc(COP(=O)(O)O)nc(c1O)C)CC(=O)O	0.01	0.0
Compound_886	COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC)O	0.02	0.0
Compound_887	O=C(Cc1cccs1)N[C@H]1CC[C@H](OB1O)CC(=O)O	0.03	0.0
Compound_888	COC(=O)Nc1nc2c([nH]1)cc(cc2)[C@@]1(O)c2ccccc2C(=O)N1c1cc(Cl)ccc1C	0.25	0.0
Compound_889	CCCCCCCCCCCCCC[C@H]([C@H]([C@@H](NC(=O)CCCCCCCC=CCCCCCCCC)CO)O)O	0.17	0.0
Compound_890	COc1ccc(cc1C(=O)NCc1ccc(cc1)C(F)(F)F)C[C@H]1OC(=O)NC1=O	0.01	0.0
Compound_891	C=CCCCCCCCCC(=O)N[C@H](C(=O)OC)CC(C)C	0.57	1.0
Compound_892	COc1ccc2c(c1)c1CCN[C@@]3(c1[nH]2)CS[C@@H]1c2c(OC(=O)C)c(C)c4c(c2[C@H](COC3=O)N2[C@@H]1[C@@H]1N([C@H]([C@@H]2O)Cc2c1c(O)c(c(c2)C)OC)C)OCO4	0.06	0.0
Compound_893	NC[C@@H]1[C@H](CC[C@]2([C@H]1CCC2=C)C)[C@@]1(C)CC[C@@H](C[C@@H]1CO)O	0.04	0.0
Compound_894	COC[C@H]1C[C@H](N(C1)C(=O)[C@@H](c1ccccc1)NC(=O)OC)c1ncc([nH]1)c1ccc2c(c1)COc1c2cc2ccc3c(c2c1)nc([nH]3)[C@@H]1CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C	0.01	0.0
Compound_895	COC[C@@]1(C)CCCN2[C@@H]1c1oc3c(c1CC2)cccc3	0.06	0.0
Compound_896	O=C(C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C)N(c1cnc(cc1c1ccccc1C)N1CC[N+](CC1)(C)COP(=O)(O)O)C	0.06	0.0
Compound_897	C=CC(=O)N1CC[C@H](C1)Oc1nc(Nc2ccc(cc2)N2CCC(CC2)N2CCN(CC2)C)c(nc1CC)C(=O)N	0.0	0.0
Compound_898	CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)C)C(C)C)NC(=O)[C@H](CCCN=C(N)N)N)C	0.02	0.0
Compound_899	O=C(C=C1[CH2]=NC(N1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NNc1ccccn1	0.01	0.0
Compound_900	O=C(Nc1cc(Br)ccc1c1nn[nH]n1)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.78	1.0
Compound_901	CCC[C@H](c1ccc(o1)C)NC1C(=O)C(=O)C1Cc1cccc(c1O)C(=O)N(C)C	0.09	0.0
Compound_902	NC(=O)CC[C@H](N(C(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N)CCNC(=S)Nc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O)C(=O)O	0.01	0.0
Compound_903	CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)NC(=O)[C@@H](NC(=C)[C@@H](NC(=O)C)CCC(=O)O)CCC(=O)O	0.01	0.0
Compound_904	CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C1)(CN1CCc2c(C1)cc(cn2)C(F)(F)F)C(C)C	0.01	0.0
Compound_905	CCOC([C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)N[C@@H](C[N+](C)(C)C)CC(=O)O)CC(C)C)CCCN=C(N)N)OCC	0.01	0.0
Compound_906	O=C1N(CCOc2c1cc(cc2)c1ccc(cc1)OC(F)(F)F)Cc1ncccn1	0.0	0.0
Compound_907	CC[C@@H]([C@H](N(C(=O)[C@H](C(C)C)NC(=O)[C@@H](N(C(=O)CCCCCN1C(=O)C=CC1=O)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@H]([C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C)OC)OC)C	0.07	0.0
Compound_908	CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(nc1c1ccccc1)c1ncco1)C1CCCCC1)C	0.01	0.0
Compound_909	CCOC(=O)[C@H](c1ccc(cc1)O[C@H]1CNCC1)Cc1ccc2c(c1)cc(cc2)C(N)N	0.07	0.0
Compound_910	OCC(=O)OC[C@@H]1C=C[C@@H](C1)n1cnc2c1nc(N)nc2NC1CC1	0.02	0.0
Compound_911	Fc1cccc(c1)C1=N[C@H](NC(=O)[C@@H]([C@@H](C(=O)N)CCC(F)(F)F)CCC(F)(F)F)C(=O)Nc2c1cccc2C	0.01	0.0
Compound_912	CC#CC(=O)N1CCC[C@H]1c1nc(c2n1ccnc2N)c1ccc(cc1)C(=O)Nc1ccccn1	0.0	0.0
Compound_913	OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)n2nnc(c2)c2cccc(c2)F)O)[C@@H]([C@H]([C@H]1O)n1nnc(c1)c1cccc(c1)F)O	0.03	0.0
Compound_914	SC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)CC[C@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc[nH]2)N)CC(=O)O	0.0	0.0
Compound_915	CCO/C(=C\1/C=C2C3=NC(=CC4=NC(=CC5=NC(=Cc6[nH]c2c(C)c6CC)C(=C5CC)C)C(=C4CC)C)[C@H]([C@]13CC)C)/O	0.33	0.0
Compound_916	OC(=O)CN1CCN(CCN(CCN(C[C@@H]1Cc1ccc(cc1)NC(=S)NCCCC[C@@H](C(=O)O)N)CC(=O)O)CC(=O)O)CC(=O)O	0.02	0.0
Compound_917	COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)c1cc(F)c2c(c1)O[C@H](n1c2cc2c1ccc(c2)c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)c1cnc(s1)C1CC1)C(C)C	0.02	0.0
Compound_918	CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(c1c(O2)nc2cc(OC)ccc2n1)(F)F)C(C)(C)C	0.06	0.0
Compound_919	COCCOCCCCCC(=O)NCCCC[C@@H](C(=O)O)N	0.01	0.0
Compound_920	OCC=C(C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C)C	0.25	0.0
Compound_921	COc1cc(c(cc1C=C)C(=O)Nc1ccc(cc1)C(=N)N)c1ccc(nc1C(=O)O)C(=O)NCC1CC1	0.03	0.0
Compound_922	CC(CNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)c1cccc(n1)C(F)(F)F)(O)C	0.02	0.0
Compound_923	Fc1cc(F)c(c(c1)F)CNC(=O)c1cn2C[C@H]3O[C@@H]4CC[C@H](N3C(=O)c2c(c1=O)O)C4	0.01	0.0
Compound_924	OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C1=O)C1CCCCC1	0.0	0.0
Compound_925	OCC(=C/C=C/C(=CC=CC=C(C=C/C=C(/C=C/C1=C(C)C[C@H](CC1(C)C)O)\C)C)C)C	0.12	0.0
Compound_926	OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O	0.08	0.0
Compound_927	COc1cc2c(cc1OC)CC[N@+]([C@@H]2Cc1ccc(c(c1)OC)OC)(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]1(C)CCc2c([C@H]1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC	0.01	0.0
Compound_928	CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(C2=O)NC(=O)/C(=C\C=C[C@@H]([C@H](C(=C[C@@H]([C@H]1O)C)C)OC(=O)N)OC)/C	0.07	0.0
Compound_929	O[Cl+3](O)(O)O	0.62	1.0
Compound_930	CCCC[N@+]1(C)[C@@H]2C[C@H](C[C@H]1[C@H]1[C@@H]2O1)OC(=O)[C@@H](c1ccccc1)CO	0.01	0.0
Compound_931	O[C@H]1CC[C@@H](O)[C@@H](O)CC(=O)C[C@@H](O)[C@@H](C(=O)O)[C@@H](O)C[C@H](/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@H]([C@H]([C@H]([C@H](OC(=O)C[C@H](C[C@H](C1)O)O)C)C)O)C)O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@@H]1O)N)O	0.01	0.0
Compound_932	O=C1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2[N@@+](CC3)(C)CC2CC2)ccc1O)O	0.05	0.0
Compound_933	C=CC[N@+]1(C)CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O	0.04	0.0
Compound_934	CC[C@H]1N(C(C)C)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)N[C@@H]1CC[C@H](CC1)N1CCN(CC1)CC1CC1	0.01	0.0
Compound_935	OC(=O)[C@@H]1CC[C@H](CC1)CN1CCC[C@@H](c2c1c(C)cc(c2)C)N(c1nnn(n1)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.02	0.0
Compound_936	C[C@H]([C@@H]1CC[C@H](CC1)C(=O)Nc1ccncc1)N	0.03	0.0
Compound_937	COc1cccc2c1[nH]c(c2)c1nc(n2c1c(N)ncn2)[C@@H]1CC[C@H](CC1)C(=O)O	0.01	0.0
Compound_938	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CN3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.05	0.0
Compound_939	C/C=C/C=C/[C@@H]1O[C@](O)([C@@H](C(=O)NC/C=C/C=C([C@H]([C@H]([C@@H]2O[C@@H]([C@@H]([C@@H]2O)O)/C=C/C=C/C=C(C(=O)c2c(O)ccn(c2=O)C)C)C)OC)C)CC)[C@@H]([C@@H](C1(C)C)O)O	0.03	0.0
Compound_940	O[C@H](CN1CCCCC1)CON=C(c1cccn(=O)c1)Cl	0.02	0.0
Compound_941	NCC(=O)O[C@@H]1CC[C@H](CC1)Nc1cc(ccc1C(=O)N)n1nc(c2c1CC(C)(C)CC2=O)C(F)(F)F	0.01	0.0
Compound_942	OC(=O)[C@@]1(CC[C@H](CC1)Oc1cccc(c1F)Cl)Cc1cccc(n1)Nc1nccs1	0.06	0.0
Compound_943	O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1	0.03	0.0
Compound_944	OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1ccc(cn1)Nc1ccc(nc1)C(F)(F)F	0.05	0.0
Compound_945	OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N@+]2(C)C(C)C	0.0	0.0
Compound_946	C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)C=C(C)[C@@H]([C@H](C=CC=C(C(=O)NC(=CC1=O)C2=O)C)OC)OC(=O)N	0.04	0.0
Compound_947	CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@H](C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]1CC[C@@H]([C@@H](C1)OC)Cl)/C)CCCC2	0.13	0.0
Compound_948	ClCCN(C(=O)N[C@@H]1[C@@H](O)CCC[C@H]1O)N=O	0.03	0.0
Compound_949	COc1ccc2c(c1C)nc(cc2O[C@@H]1C[C@@H]2[C@@H](C1)C(=O)N(C)CCCCC=C[C@H]1[C@](NC2=O)(C1)C(=O)NS(=O)(=O)C1CC1)c1scc(n1)C(C)C	0.03	0.0
Compound_950	O[C@H](CN1CCN(CC1)[C@@H]1c2ccccc2[C@H]2[C@@H](c3c1cccc3)C2(F)F)COc1cccc2c1cccn2	0.01	0.0
Compound_951	O[C@@H]1C[C@@H]2[C@@H](C1)C=CCCC[C@@H](OC(=O)C=C[C@H]2O)C	0.75	1.0
Compound_952	N[C@@H]1CC[C@H](CC1)Nc1nc(NCc2ccccc2)c2c(n1)n(cn2)C1CCCC1	0.09	0.0
Compound_953	CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c2c4nc5c(O)cc(cc5oc4c(c(=O)c2c(c3C)O)NC(=O)C(=CC=C[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)C)N1CCN(CC1)CC(C)C	0.01	0.0
Compound_954	O=C1SC[C@H](N1)[C@@]1(O)C[C@H]2C[C@H](O1)CC[C@H](C)C=CC=CCCC(=CC(=O)O2)C	0.14	0.0
Compound_955	COc1cc2[C@H]3O[C@@H]3C[C@H](O)[C@H](O)C(=O)C=CC[C@@H](OC(=O)c2c(c1)O)C	0.77	1.0
Compound_956	C/C=C/[C@H]1O[C@](O)(C[C@H]([C@@H]1C)O[C@H]1C[C@@H](O)[C@@H]([C@H](O1)C)OC(=O)N)[C@H]([C@@H]([C@@H]([C@H]1OC(=O)C(=CC(=C[C@@H](C)[C@@H](O)[C@H]([C@H]([C@@H](CC(=CC=C[C@@H]1OC)C)C)O)CC)C)OC)C)O)C	0.1	0.0
Compound_957	CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(C2=O)NC(=O)C(=CC=C[C@@H]([C@H](C(=C[C@@H]([C@H]1O)C)C)OC(=O)N)OC)C	0.01	0.0
Compound_958	N[C@@H]1CC[C@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N)n2c(n1)ncn2	0.01	0.0
Compound_959	O=CN[C@H]1CNC(=O)C=C[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](NC(=O)C(=O)[C@@H](NC(=O)[C@H]2N(C1=O)CCC2)CCCNC(=N)N)Cc1ccccc1	0.01	0.0
Compound_960	CO[C@@H]1C[C@@H](CC[C@H]1O)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C1)C)C)O)OC)C)C)C)C	0.03	0.0
Compound_961	CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@@H]2O[C@@]1(O)C(C)(C)C=C[C@@H]1O[C@@H](C/C(=C/C(=O)OC)/C1)C[C@]1(O)O[C@H](C[C@H](CC(=O)O[C@H](C2)[C@H](O)C)O)C[C@@H](C1(C)C)OC(=O)C	0.28	0.0
Compound_962	O=C1O[C@@H](CC=C(C)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)/C(=C/c1csc(n1)C)/C	0.16	0.0
Compound_963	COc1cc2CC[N@@+]([C@@H](c2cc1OC)Cc1cc(OC)c(c(c1)OC)OC)(C)CCCOC(=O)C(=CC(=O)OCCC[N@@+]1(C)CCc2c([C@@H]1c1cc(OC)c(c(c1)OC)OC)cc(c(c2)OC)OC)Cl	0.03	0.0
Compound_964	NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](C=CC[C@H](CNC1=O)Cc1cccc2c1cccc2)c1ccc(cc1)CP(=O)(O)O	0.01	0.0
Compound_965	CO[C@H]1C=CC=C(C)C[C@H](C)[C@H](O)[C@@H](C=C(C=C(C(=O)O[C@@H]1[C@H]([C@H]([C@@H]([C@@]1(O)C[C@@H](O)[C@@H]([C@H](O1)C(C)C)C)C)O)C)OC)C)C	0.12	0.0
Compound_966	CCNc1cc2C=CC[C@H](O)[C@H](O)C(=O)C=C[C@H]([C@@H](OC(=O)c2c(c1)O)C)C	0.4	0.0
Compound_967	CO[C@H]1C[C@H](C)CC2=C(N)C(=O)C=C(C2=O)NC(=O)C(=CC=C[C@@H]([C@H](C(=C[C@@H]([C@H]1O)C)C)OC(=O)N)OC)C	0.07	0.0
Compound_968	O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	0.04	0.0
Compound_969	CCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(=O)([C@@H]1N2C)C	0.1	0.0
Compound_970	CN(C(=O)Oc1ccc(cc1)Cl)[C@@H]1CC[C@H](CC1)c1ccc(cc1)CN1CCCCC1	0.02	0.0
Compound_971	CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c2C4=NC5(NC4=C(C(=O)c2c(c3C)O)NC(=O)C(=CC=C[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)C)CCN(CC5)CC(C)C	0.01	0.0
Compound_972	O=CC[C@H]1C[C@@H](C)[C@@H](O)C=CC=CC[C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)O)OC(=O)CC(C)C)OC)OC(=O)C)C	0.01	0.0
Compound_973	CO[C@@H]1C=C[C@H](C)[C@@H]2O[C@](O)([C@H](C)C(=O)O[C@@H](CCCC[C@@H]1OC)c1ccccc1)[C@@H]([C@H]([C@@H]2C)O)OC	0.6	1.0
Compound_974	O=C1NCC=CC(=C[C@@H](O)CC(=O)Cc2nc(C(=O)N3C(=CCC3)C(=O)O[C@@H]([C@@H](C=C1)C)C(C)C)co2)C	0.04	0.0
Compound_975	CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c2c(O)c(/C=N/N4CCN(CC4)C)c(c(c2c(c3C)O)O)NC(=O)C(=CC=C[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)C	0.0	0.0
Compound_976	C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(C(=O)O1)c(O)cc(c2Cl)O	0.86	1.0
Compound_977	C1C=CCOCc2cc(ccc2OCCN2CCCC2)Nc2nc(c3cc(CO1)ccc3)ccn2	0.11	0.0
Compound_978	COc1ccc2c(c1)nc(cc2O[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](CCCCCC=C[C@H]1[C@](NC2=O)(C1)C(=O)O)NC(=O)OC1CCCC1)c1csc(n1)NC(C)C	0.06	0.0
Compound_979	OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N@+]2(C)CC(=O)c1ccc(cc1)c1ccccc1	0.01	0.0
Compound_980	OC(=O)COC[C@@H]1CC[C@H](CC1)COC(=O)N(c1ccc(cc1)Cl)c1ccccc1	0.24	0.0
Compound_981	CO[C@@H]1C[C@@H](CC[C@H]1Oc1ccc2c(c1)ccn2C)/C=C(/[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](C[C@H]([C@@H](C(=C[C@H](C(=O)C[C@@H]([C@H]1C)O)CC)C)O)C)OC)[C@H](C[C@H]2C)OC)\C	0.23	0.0
Compound_982	C=CCNc1c(O)cc2c(c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)C=C(C)[C@@H]([C@H](C=CC=C(C(=O)N2)C)OC)OC(=O)N)O	0.04	0.0
Compound_983	CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(C#CC[C@@H]1CC[C@H](CC1)C(=O)OC)nc2N	0.01	0.0
Compound_984	CC=C1NC(=O)[C@H]2CSSCCC=C[C@@H](OC(=O)[C@@H](NC1=O)C(C)C)CC(=O)N[C@@H](C(=O)N2)C(C)C	0.16	0.0
Compound_985	Oc1ccccc1C=Nc1ccccc1N=Cc1ccccc1O	0.24	0.0
Compound_986	O=CC[C@H]1C[C@@H](C)[C@@H](O)C=CC=CC[C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)O)OC(=O)CC(C)C)OC)O)C	0.01	0.0
Compound_987	CC(=O)O[C@H]1C(=C)CC[C@H]2[C@H](C2(C)C)C=C(C(=O)[C@@]2([C@@H]1[C@@H](OC(=O)c1ccccc1)[C@H](C2)C)OC(=O)C)C	0.31	0.0
Compound_988	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@H]1O)O)O	0.4	0.0
Compound_989	O=C1SC[C@H](N1)[C@@]1(O)C[C@H]2C[C@H](O1)CC[C@H](C)C=CCCC(=CC(=O)O2)C	0.16	0.0
Compound_990	COc1cc2C=CC[C@H](O)[C@H](O)C(=O)C=CC[C@H](OC(=O)c2c(c1)O)C	0.89	1.0
Compound_991	COc1c(ccc(c1Cl)N)C(=O)N[C@H]1CCN2C[C@@H]1CCC2	0.0	0.0
Compound_992	C[C@@H](CO[C@@H]1[C@H](O[C@H]2O[C@@H](COC[C@@H](O)C)[C@@H]([C@H]([C@@H]2OC[C@@H](O)C)OC[C@@H](O)C)OC[C@@H](O)C)[C@H](COC[C@@H](O)C)O[C@H]([C@@H]1OC[C@@H](O)C)OC[C@@H](O)C)O	0.41	0.0
Compound_993	NC[C@@]1(C[C@H]2[C@@H](C1)CC2)CC(=O)OC	0.03	0.0
Compound_994	O=C([C@@H]1CC[C@H](CC1)NS(=O)(=O)C(C)(C)C)Nc1ccc(cn1)C(F)(F)F	0.27	0.0
Compound_995	Nc1nc(NC[C@@H]2CC[C@H](CC2)CNCCCNC2CCCCC2)nc(c1)N1CCN(CC1)CCP(=O)(O)O	0.05	0.0
Compound_996	O=C(OC(C)(C)C)N[C@H]1CCCCCC=C[C@H]2[C@](NC(=O)[C@H]3N(C1=O)C[C@@H](C3)OC(=O)N1Cc3c(C1)cccc3F)(C2)C(=O)NS(=O)(=O)C1CC1	0.03	0.0
Compound_997	COCCOC[C@@H](C(=O)O)CC1(CCCC1)C(=O)N[C@@H]1CC[C@@H](CC1)C(=O)O	0.03	0.0
Compound_998	Fc1cnc(c(c1)C(=O)N[C@@H]1CC[C@@H](CC1)NC(=O)c1cc(C)ccc1O)Oc1ccc(c(c1)F)F	0.04	0.0
Compound_999	CC(Nc1cc(N[C@@H]2CC[C@H](CC2)N)nc2n1ncc2C#N)C	0.03	0.0
Compound_1000	N#Cc1ccc(cc1)c1cc(cnc1F)[C@H]1C[C@@H]2N[C@@H]1CC2	0.18	0.0