Index	SMILES	Probability	Label
Compound_1	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2C[C@H]1/C(=C\C)/CN2CC4)cccc3	0.01	0.0
Compound_2	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@]3(O)[C@H](C)[C@]3(O4)CC[C@H](CO3)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	0.08	0.0
Compound_3	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](CO3)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	0.17	0.0
Compound_4	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]([C@@H]2O)O[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)C=O)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](C)[C@@H]([C@@H]([C@H]2O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@H]1O)O)O	0.06	0.0
Compound_5	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@@H]3[C@]([C@H]1CC2=O)(C)CC[C@@H](C3)O)C	0.02	0.0
Compound_6	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1C[C@H](O)[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	0.03	0.0
Compound_7	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	0.03	0.0
Compound_8	C[C@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	0.03	0.0
Compound_9	C[C@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	0.26	0.0
Compound_10	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	0.26	0.0
Compound_11	COC(=O)C1[C@H]2C[C@H]3C4=Nc5c([C@@]14CCN3C/C/2=C/C)cccc5	0.01	0.0
Compound_12	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@@]([C@@H]2C)(O)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	0.21	0.0
Compound_13	CCCOC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)[C@@H](O)[C@H]([C@@]2([C@@H]3CC(C)(C)[C@H]([C@@H]2O)OC(=O)/C(=C/C)/C)CO)O)C)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O	0.12	0.0
Compound_14	CCC(C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)[C@H](O)[C@@]3(C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@]4(C)CC[C@@H](C3(C)C)O[C@@H]3O[C@H](C(=O)O)[C@H]([C@@H]([C@H]3O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)O[C@H]3OC[C@H]([C@H]([C@@H]3O)O)O)O)[C@@H]2CC1(C)C)C)C	0.1	0.0
Compound_15	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)[C@H]([C@@H]2OC(=O)C)OC(=O)/C(=C/C)/C)CO)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.06	0.0
Compound_16	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)[C@H]([C@@H]2OC(=O)C)OC(=O)/C(=C\C)/C)CO)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.06	0.0
Compound_17	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@@H](O[C@@H]2C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)[C@H]([C@@H]2OC(=O)C)OC(=O)/C(=C/C)/C)CO)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.06	0.0
Compound_18	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@@H](O[C@@H]2C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)[C@H]([C@@H]2OC(=O)C)OC(=O)/C(=C\C)/C)CO)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.06	0.0
Compound_19	OCC1OC(OC2C(OC(C(C2OC2OCC(C(C2O)O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@]2(C)C=O)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)OC2OCC(C(C2OC2OC(C)C(C(C2O)OC2OC(CO)C(C(C2O)O)O)O)O)C(=O)C)C)C)C(C(C1O)O)O	0.06	0.0
Compound_20	OCC1OC(OC2C(O)C(OC3C(OCC(C3O)C(=O)C)OC(=O)[C@@]34CCC(C[C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)CC[C@@H]([C@@]3(C)C=O)OC3OC(C(=O)O)C(C(C3OC3OC(CO)C(C(C3O)O)O)OC3OCC(C(C3O)O)O)O)(C)C)OC(C2OC2OCC(C(C2O)O)O)C)C(C(C1O)O)O	0.07	0.0
Compound_21	OCC1OC(OC2C(O)C(OC3C(OC(C(C3O)O)C)O[C@H]3CC[C@]4([C@H]([C@]3(C)C=O)CC[C@@]3([C@@H]4CC=C4[C@@]3(C)CC[C@@]3([C@H]4CC(C)(C)CC3)C(=O)O)C)C)OC(C2OC2OCC(C(C2O)O)O)C)C(C(C1O)O)O	0.06	0.0
Compound_22	COc1ccc2c(c1)[nH]c1c2CCN2[C@H]1C[C@H]1[C@@H](C2)[C@H](C)OC=C1C(=O)OC	0.08	0.0
Compound_23	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@@H]([C@@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC[C@]34[C@@]2(C)C[C@H]([C@@]2([C@H]4C[C@@](C)(C=O)CC2)CO3)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.15	0.0
Compound_24	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@@H]([C@@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC[C@]34[C@@]2(C)C[C@H]([C@@]2([C@H]4C[C@@](C)(C=O)CC2)CO3)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.15	0.0
Compound_25	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@@H]([C@@H]2O)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC[C@]34[C@@]2(C)C[C@H]([C@@]2([C@H]4C[C@@](C)(C=O)CC2)CO3)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.15	0.0
Compound_26	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@@H]([C@@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC[C@]34[C@@]2(C)C[C@H]([C@@]2([C@H]4C[C@@](C)(C=O)CC2)CO3)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_27	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CCC(C[C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)CC[C@@H]([C@@]3(C)CO)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O)O)(C)C)[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)O)O)O	0.14	0.0
Compound_28	OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O	0.2	0.0
Compound_29	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CCC(C[C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)CC[C@@H](C3(C)C)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O)O)(C)C)[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)O)O)O	0.14	0.0
Compound_30	O[C@H]1CO[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C	0.11	0.0
Compound_31	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CC[C@@]5(C(=CC[C@H]6[C@@]5(C)CC[C@@H]5[C@]6(C)CC[C@@H]([C@@]5(C)CO)O[C@@H]5OC[C@@H]([C@@H]([C@H]5O)O)O)[C@@H]4CC(CC3)(C)C)C)[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)O)O)O	0.14	0.0
Compound_32	COC(=O)[C@@]1(C)CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CCC([C@@]1(C)CO)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C(=O)O	0.14	0.0
Compound_33	COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C[C@@H]1N(C2)CC[C@@]21C(=O)Nc1c2ccc(c1OC)OC)C	0.03	0.0
Compound_34	COC(=O)[C@@]1(C)CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)C[C@H](O)[C@@H]([C@@]1(C)CO)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C(=O)O	0.14	0.0
Compound_35	OC[C@H]1O[C@@H](O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3C[C@](C)(CC2)C(=O)OC)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.09	0.0
Compound_36	OCC1OC(OC2COC(C(C2O)O)OC2C(O)CC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(CC2)C(=O)OC)C(=O)O)C)C)C(C(C1O)O)O	0.25	0.0
Compound_37	OC[C@]1(C)[C@@H](O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@@H](O)C[C@]2(C1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@@H]2C[C@](CC1)(C)C(=O)O)C(=O)O)C)C	0.19	0.0
Compound_38	OC[C@H]1O[C@@H](O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@H]2[C@@H](O)C[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3C[C@](C)(CC2)C(=O)OC)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.2	0.0
Compound_39	OC[C@H]1O[C@@H](O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@H]2[C@@H](O)C[C@]3(C([C@]2(C)CO)CC[C@@]2([C@@H]3C(=O)C=C3[C@@]2(C)CC[C@@]2([C@@H]3C[C@@](C)(CC2)C(=O)OC)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.21	0.0
Compound_40	OC[C@H]1O[C@@H](OC(=O)[C@@]23CC[C@](C[C@H]3C3=CC[C@H]4[C@@]([C@@]3(CC2)C)(C)CC[C@@H]2[C@]4(C)C[C@@H]([C@@H]([C@@]2(C)CO)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O)(C)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.2	0.0
Compound_41	OC[C@H]1O[C@@H](O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@H]2CC[C@]3(C([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@@H]3C[C@@](C)(CC2)C(=O)OC)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.1	0.0
Compound_42	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@]2(C)C=O)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](C)[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@@H]2O[C@H](C)[C@H]([C@@H]([C@H]2O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)OC(=O)C)O)C)C)[C@@H]([C@H]([C@H]1O)O)O	0.06	0.0
Compound_43	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@]2(C)C=O)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](C)[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@@H]2O[C@H](C)[C@H]([C@@H]([C@H]2O)O)OC(=O)C)O)C)C)[C@@H]([C@H]([C@H]1O)O)O	0.06	0.0
Compound_44	COC(=O)C1=C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3	0.04	0.0
Compound_45	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O)CO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)OC(=O)[C@@]23CCC(C[C@H]3C3=CC[C@H]4[C@@]([C@@]3(CC2)C)(C)CC[C@@H]2[C@]4(C)CC[C@@H]([C@@]2(C)C(=O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.05	0.0
Compound_46	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)OC(=O)[C@@]23CCC(C[C@H]3C3=CC[C@H]4[C@@]([C@@]3(CC2)C)(C)CC[C@@H]2[C@]4(C)CC[C@@H]([C@@]2(C)C(=O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.05	0.0
Compound_47	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)OC(=O)[C@]23CC[C@@]4(C(=CC[C@H]5[C@@]4(C)CC[C@@H]4[C@]5(C)CC[C@@H]([C@@]4(C)C(=O)O)O[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@@H]3CC(CC2)(C)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.05	0.0
Compound_48	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)OC(=O)[C@@]23CCC(C[C@H]3C3=CC[C@H]4[C@@]([C@@]3(C[C@H]2O)C)(C)CC[C@@H]2[C@]4(C)CC[C@@H]([C@@]2(C)C(=O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.05	0.0
Compound_49	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O)CO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)OC(=O)[C@@]23CCC(C[C@H]3C3=CC[C@H]4[C@@]([C@@]3(C[C@H]2O)C)(C)CC[C@@H]2[C@]4(C)CC[C@@H]([C@@]2(C)C(=O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.05	0.0
Compound_50	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)OC(=O)[C@]23CC[C@@]4(C(=C3CC(CC2)(C)C)C=C[C@H]2[C@@]4(C)CC[C@@H]3[C@]2(C)CC[C@@H]([C@@]3(C)C(=O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.04	0.0
Compound_51	OCCC[C@@]1(C)[C@@H](CC[C@@]2([C@@H]1CC=C1[C@@]2(C)C[C@H]([C@@]2([C@H]1CC(C)(C)CC2)C(=O)O[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[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)C)C(=C)C(=O)O	0.17	0.0
Compound_52	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)OC(=O)[C@]23CC[C@@]4(C(=CC[C@H]5[C@@]4(C)CC[C@@H]4[C@]5(C)CC[C@@H]([C@@]4(C)C(=O)O)O[C@@H]4OC[C@H]([C@@H]([C@H]4O)O)O)[C@@H]3CC(CC2)(C)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.05	0.0
Compound_53	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CC[C@@]5(C(=CC[C@H]6[C@@]5(C)CC[C@@H]5[C@]6(C)CC[C@@H]([C@@]5(C)C(=O)O)O[C@@H]5OC[C@H]([C@@H]([C@H]5O)O)O)[C@@H]4CC(CC3)(C)C)C)[C@@H]([C@H]([C@@H]2O)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	0.06	0.0
Compound_54	O=C[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C	0.12	0.0
Compound_55	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@@](C1)(CC)CCCN2CC4)cccc3	0.02	0.0
Compound_56	OC(=O)[C@@]12CCC(C[C@H]2C2=CC[C@H]3[C@@]([C@@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H]([C@@]1(C)C(=O)O)O)(C)C	0.06	0.0
Compound_57	O=C[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@@H](O)[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C	0.07	0.0
Compound_58	O=C[C@@]1(C)CC[C@]23[C@@H](C1)[C@]1(CC[C@H]4[C@@]([C@@]1(C[C@H]3O)C)(C)CC[C@@H]1[C@]4(C)CC[C@@H](C1(C)C)O)OC2	0.11	0.0
Compound_59	OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C	0.03	0.0
Compound_60	O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C	0.12	0.0
Compound_61	OC[C@]1(C)[C@@H](O)[C@@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C	0.06	0.0
Compound_62	O[C@@H]1C[C@]2(C)C(=CC[C@H]3[C@@]2(C)CC[C@@H]2[C@]3(C)CC[C@@H](C2(C)C)O)[C@H]2[C@@]1(CCC(C2)(C)C)C(=O)O	0.04	0.0
Compound_63	COC(=O)[C@]1(C)CC[C@]2([C@H](C1)C1=CC(=O)[C@H]3[C@@]([C@@]1(CC2)C)(C)CCC1[C@]3(C)C[C@H](O)[C@@H]([C@@]1(C)CO)O)C(=O)O	0.14	0.0
Compound_64	OC[C@]1(C)[C@H](O)[C@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@@H](CC1)C)C(=O)O)C)C	0.1	0.0
Compound_65	OC[C@]1(C)[C@@H](O)[C@@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@@](CC1)(C)C(=O)O)C(=O)O)C)C	0.08	0.0
Compound_66	CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1	0.01	0.0
Compound_67	COC(=O)[C@@]1(C)CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)C[C@H](O)[C@@H]([C@@]1(C)CO)O)C(=O)O	0.13	0.0
Compound_68	COC(=O)[C@@]1(C)CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H]([C@@]1(C)CO)O)C(=O)O	0.05	0.0
Compound_69	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.14	0.0
Compound_70	C=C[C@H]1[C@@H](OC=C2[C@H]1CCOC2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.86	1.0
Compound_71	C=C[C@H]1[C@@H](OC=C2[C@H]1CCNC2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.02	0.0
Compound_72	CC(=O)O[C@@H]1C[C@]2(O)[C@@H]([C@@]3(C1=C[C@@H](O)CC3)C)CC[C@]1([C@]2(O)CC[C@@H]1c1ccc(=O)oc1)C	0.3	0.0
Compound_73	O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C)/C1	0.04	0.0
Compound_74	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@]3(O)O[C@H]3[C@@H]4[C@](OC2)(C)OC3)C1)C	0.32	0.0
Compound_75	O[C@H]1CC[C@]2(C(=CCC3=C4[C@@]5(CC[C@H]23)CO[C@@]2([C@H]5[C@H](O4)CO2)C)C1)C	0.38	0.0
Compound_76	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1c1ccc(=O)oc1)C)O	0.44	0.0
Compound_77	CC[C@@]12CCCN3[C@H]2c2n(C(=O)C1)c1c(c2CC3)ccc(c1)OC	0.22	0.0
Compound_78	O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2c1ccc(=O)oc1)C)C	0.33	0.0
Compound_79	O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.24	0.0
Compound_80	O=C[C@]12C[C@H]3O[C@]4(O)[C@H](O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)O[C@@H](C[C@@H]4OC(=O)C)C	0.22	0.0
Compound_81	O=C[C@]12C[C@H]3O[C@@]4(O)[C@H](O)C[C@H](O[C@H]4O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.08	0.0
Compound_82	O=C[C@]12C[C@H]3O[C@@]4(O)[C@@H](O)C[C@H](O[C@H]4O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.08	0.0
Compound_83	C[C@@H]1C[C@@H](O)[C@]2([C@@H](O1)O[C@H]1[C@H](O2)C[C@]2([C@H](C1)C[C@H]1[C@@]3([C@@H]2[C@H](O)C(=O)[C@]2([C@]3(O)CC[C@@H]2C2=CC(=O)OC2)C)O1)C)O	0.09	0.0
Compound_84	C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@H]1[C@H](O2)C[C@]2([C@H](C1)C[C@H]1[C@@]3([C@@H]2[C@H](O)C(=O)[C@]2([C@]3(O)CC[C@@H]2C2=CC(=O)OC2)C)O1)C)O	0.24	0.0
Compound_85	O=C[C@]12C[C@H]3O[C@@]4(O)C(=O)C[C@H](O[C@H]4O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.1	0.0
Compound_86	O=C[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)O)C)O	0.25	0.0
Compound_87	OC[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)O)C)O	0.34	0.0
Compound_88	CC[C@@]12CCCN3[C@H]2c2n(C=C1)c1c(c2CC3)cccc1	0.31	0.0
Compound_89	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)C[C@@H]([C@@H]1C1=CC(=O)OC1)O)C)O	0.2	0.0
Compound_90	O[C@@H]1CC[C@]2([C@](C1)(O)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.17	0.0
Compound_91	O[C@H]1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.25	0.0
Compound_92	OC[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O	0.25	0.0
Compound_93	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O	0.2	0.0
Compound_94	O[C@H]1CC[C@]2([C@](C1)(O)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.17	0.0
Compound_95	O[C@H]1CC[C@]2([C@](C1)(O)CC[C@@H]1[C@@H]2[C@H](O)C[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.19	0.0
Compound_96	OC[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)O	0.28	0.0
Compound_97	OC[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O	0.25	0.0
Compound_98	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2[C@H](O)C[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.26	0.0
Compound_99	COC(=O)[C@@]1(O)C[C@@]2(CCCN3[C@@H]2c2n1c1ccccc1c2CC3)C(=O)C	0.02	0.0
Compound_100	O=C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)O	0.16	0.0
Compound_101	OC[C@]12CC[C@@H](C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)O	0.28	0.0
Compound_102	CC(=CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCC(=O)C1(C)C)C)C(=O)O)C	0.21	0.0
Compound_103	O=CO[C@H]1C[C@]2([C@]([C@H]1C1=CC(=O)OC1)(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O)O	0.26	0.0
Compound_104	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.08	0.0
Compound_105	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)O)C)C	0.29	0.0
Compound_106	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.13	0.0
Compound_107	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)O)C)C	0.29	0.0
Compound_108	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)OC(=O)C)C)C	0.24	0.0
Compound_109	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@]13[C@@H]2CC[C@]2([C@]3(O1)CC[C@@H]2C1=CC(=O)OC1)C)C	0.15	0.0
Compound_110	OCCC(=C)C(=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.74	1.0
Compound_111	COC(=O)[C@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3	0.06	0.0
Compound_112	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@]13[C@@H]2CC[C@](C3=O)(C)[C@H](CC1)C1=CC(=O)OC1)C	0.21	0.0
Compound_113	O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.17	0.0
Compound_114	O=C[C@]12CC[C@@H](C=C1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)O	0.16	0.0
Compound_115	O=C[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)O	0.16	0.0
Compound_116	C[C@H](C1O[C@@H](O)[C@@]2([C@@](C1)(C)O2)C)c1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2([C@]1(C)C(=O)C=CC2)O	0.36	0.0
Compound_117	CC1=C(C)C(=O)O[C@H](C1)[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2([C@]1(C)C(=O)C=CC2)O)C	0.28	0.0
Compound_118	CC1=C(C)C(=O)O[C@H](C1)[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2([C@]1(C)C(=O)C=CC2)O)C	0.14	0.0
Compound_119	O[C@@H]1C=C2CC=CC(=O)[C@@]2([C@@H]2[C@@H]1[C@@]1(O)O[C@]34[C@@H](C1=O)[C@]1(C)C[C@H]([C@]4(C)OC(=O)[C@]3(CC2)O)OC(=O)C1=C)C	0.32	0.0
Compound_120	O=C1O[C@@H]2C[C@@]3([C@H]1CO[C@@]14C(=O)[C@@H]3[C@@]3([C@@]2(C)OC(=O)[C@]3(O)CC[C@H]2[C@H]4CC=C3[C@]2(C)C(=O)C=CC3)O1)C	0.36	0.0
Compound_121	O=C1O[C@@H]2C[C@@](C1=C)(C)[C@@H]1[C@@]34[C@@]2(C)OC(=O)[C@@]4(O)CC[C@H]2[C@H]([C@@](C1=O)(O3)O)CC=C1[C@]2(C)C(=O)C=CC1	0.21	0.0
Compound_122	COC(=O)[C@@]1(O)C[C@@]2(CCCN3[C@@H]2c2n1c1cc(OC)ccc1c2CC3)C(=O)C	0.06	0.0
Compound_123	O=C1O[C@@H]2C[C@@]3([C@H]1CO[C@@]14C(=O)[C@@H]3[C@@]3([C@@]2(C)OC(=O)[C@]3(O)CC[C@H]2[C@H]4C[C@@H](O)[C@@]3([C@]2(C)C(=O)C=CC3)O)O1)C	0.09	0.0
Compound_124	O[C@@H]1C[C@@]2(O)CC=CC(=O)[C@@]2([C@@H]2[C@@H]1[C@@]13OC[C@H]4[C@@]5([C@@H](C3=O)[C@@]3(O1)[C@@](CC2)(O)C(=O)O[C@@]3(C)[C@@H](C5)OC4=O)C)C	0.13	0.0
Compound_125	O=C1O[C@@H]2C[C@@]3([C@H]1CO[C@@]14C(=O)[C@@H]3[C@@]3([C@@]2(C)OC(=O)[C@]3(O)CC[C@H]2[C@H]4C[C@H]3O[C@]43[C@]2(C)C(=O)C=CC4)O1)C	0.11	0.0
Compound_126	O[C@@H]1C=C2C=CCC(=O)[C@@]2([C@@H]2[C@@H]1[C@@]1(O)O[C@]34[C@H](C1=O)[C@]1(C)C[C@H]([C@]4(C)OC(=O)[C@@]3(CC2)O)OC(=O)[C@H]1C)C	0.18	0.0
Compound_127	O[C@@H]1CC(=O)[C@]2(C(=C1)C=C[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3([C@]42[C@@H]2[C@@]1(OC[C@@H]1[C@@]2(C)C[C@H]3OC1=O)C(=O)O4)C)C	0.3	0.0
Compound_128	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=C2)[C@H](OC(=O)C)C[C@@]2([C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3c2ccc(=O)oc2)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.16	0.0
Compound_129	OC[C@H]1O[C@@H](O[C@H]2[C@H](C)O[C@H]([C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3c2ccc(=O)oc2)C)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.12	0.0
Compound_130	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1c1ccc(=O)oc1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.16	0.0
Compound_131	O=C[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)O)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.11	0.0
Compound_132	OC[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)O)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.16	0.0
Compound_133	C/C=C\1/CN2[C@@H]3C4[C@H]1C[C@H]2C1=Nc2c([C@]1([C@@H]4OC(=O)C)C3)cccc2	0.01	0.0
Compound_134	CO[C@H]1C[C@H](O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)O[C@@H]([C@H]1O[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)C	0.04	0.0
Compound_135	CO[C@H]1C[C@H](O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)O[C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C	0.04	0.0
Compound_136	CO[C@H]1C[C@H](O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)O[C@@H]([C@H]1O)C	0.15	0.0
Compound_137	CO[C@H]1C[C@H](O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)CO)O[C@@H]([C@H]1O)C	0.28	0.0
Compound_138	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O	0.12	0.0
Compound_139	CO[C@H]1[C@H](O)C(O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)O[C@H](C1O)C	0.15	0.0
Compound_140	CO[C@@H]1C[C@H](O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)O)C)C=O)O[C@@H]([C@@H]1O)C	0.14	0.0
Compound_141	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@@]32O[C@H]3C[C@@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](C)[C@H]([C@H]([C@H]1O)O)O)O	0.06	0.0
Compound_142	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.03	0.0
Compound_143	COC(=O)C1=C2Nc3c([C@]42[C@H]2[C@@](C1)(CCCN2CC4)C(=O)C)cccc3	0.01	0.0
Compound_144	OC[C@H]1O[C@@H](O[C@H]2[C@H](C)O[C@H]([C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_145	CC[C@@H](C(=O)O[C@@H]1CC(C)(C)C[C@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CCC1[C@]2(C)CCC(=O)C1(C)C)C)C(=O)O)C	0.2	0.0
Compound_146	OC[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.14	0.0
Compound_147	O=C1OCC(=C1)[C@H]1CCC2([C@]1(C)C[C@@H](O)[C@H]1[C@H]2CC[C@]2([C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O	0.08	0.0
Compound_148	OC[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)OC1O[C@H](C)[C@H]([C@H]([C@H]1O)O)O	0.14	0.0
Compound_149	OC[C@H]1O[C@@H](O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@H]2CC[C@]3(C(=C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.28	0.0
Compound_150	O=C[C@]12CC[C@@H](C=C1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O	0.33	0.0
Compound_151	OC[C@H]1O[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@@H](O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]4[C@@H]5CC[C@]5(C4(O)CC[C@@H]5C4=CC(=O)OC4)C)C)O[C@@H]([C@H]3O[C@@H]3C[C@H](O)[C@@H]([C@H](O3)C)O)C)O[C@@H]([C@H]2O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_152	OC[C@H]1O[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@@H](O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]4[C@@H]5CC[C@]5(C4(O)C[C@@H]([C@@H]5C4=CC(=O)OC4)O)C)C)O[C@@H]([C@H]3O[C@@H]3C[C@H](O)[C@@H]([C@H](O3)C)O)C)O[C@@H]([C@H]2O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_153	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC(=O)C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.07	0.0
Compound_154	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@](C1)(CCCN2CC4)[C@H](O)C)cccc3	0.01	0.0
Compound_155	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC(=O)C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.06	0.0
Compound_156	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC(=O)C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3C[C@@H](O)[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.07	0.0
Compound_157	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O	0.02	0.0
Compound_158	O=C1OCC(=C1)[C@H]1[C@@H](O)C[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O	0.07	0.0
Compound_159	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O	0.03	0.0
Compound_160	O=C1OCC(=C1)[C@H]1[C@@H](O)C[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O	0.07	0.0
Compound_161	CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@H]1O)C	0.23	0.0
Compound_162	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O)C	0.13	0.0
Compound_163	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_164	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC([C@@H]3C2=CC(=O)OC2)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_165	COC(=O)[C@@H]1[C@H]2CC(=O)C34[C@@]1(CCN3C/C/2=C\C)c1ccccc1N4C	0.0	0.0
Compound_166	CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)O)C)C)O[C@@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C	0.13	0.0
Compound_167	O=CO[C@H]1C[C@]2([C@]([C@H]1C1=CC(=O)OC1)(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.06	0.0
Compound_168	O=CO[C@H]1C[C@]2([C@]([C@H]1C1=CC(=O)OC1)(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.04	0.0
Compound_169	CC(C(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCC(=O)C1(C)C)C)C(=O)O)C	0.14	0.0
Compound_170	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_171	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=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	0.13	0.0
Compound_172	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O	0.16	0.0
Compound_173	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@H](C)[C@H]([C@H]([C@H]1O)O)O	0.12	0.0
Compound_174	OC[C@H]1O[C@@H](O[C@H]2[C@@H](C)O[C@H]([C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_175	COC(=O)[C@@H]1[C@H]2CC[C@@]34[C@@]1(CCN3C/C/2=C/C)c1cc(OC)ccc1N4C	0.02	0.0
Compound_176	OC[C@@]12CC[C@@H](C[C@@]2(O)CCC2C1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1OC(CO[C@@H]2C(O)C[C@H](OC2C)O)[C@H](C(C1O)O)O	0.15	0.0
Compound_177	OC[C@H]1O[C@@H](OC2[C@H](C)OC([C@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_178	OC[C@H]1O[C@H](O[C@H]2[C@H](O[C@H]3CC[C@]4([C@@H](C3)CC[C@@H]3[C@@H]4CC[C@]4(C3(O)CC[C@@H]4C3=CC(=O)OC3)C)C)O[C@H]([C@@H]([C@H]2O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_179	OC[C@H]1O[C@@H](O[C@H]2[C@H](C)O[C@H]([C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_180	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O	0.08	0.0
Compound_181	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@H]1C[C@H](O)[C@H]([C@H](O1)C)O	0.12	0.0
Compound_182	CO[C@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)OC(=O)C)C)C)O[C@H]([C@@H]1O)C	0.14	0.0
Compound_183	CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O)C	0.15	0.0
Compound_184	CO[C@@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O)C	0.19	0.0
Compound_185	COC(=O)[C@@H]1C[C@]2(CC)CCCN(C2)CCc2c1[nH]c1c2cccc1	0.01	0.0
Compound_186	CO[C@@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@]24[C@@H]3CC[C@]3([C@]4(O2)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O)C	0.22	0.0
Compound_187	CO[C@@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@]24[C@@H]3CC[C@](C4=O)(C)[C@H](CC2)C2=CC(=O)OC2)C)O[C@@H]([C@@H]1O)C	0.15	0.0
Compound_188	CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)O)C)C)O[C@@H]([C@@H]1O)C	0.14	0.0
Compound_189	CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)OC(=O)C)C)C)O[C@@H]([C@@H]1O)C	0.15	0.0
Compound_190	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)C[C@@H](O)[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O	0.08	0.0
Compound_191	OC[C@H]1O[C@@H](O[C@H]2[C@@H](C)O[C@H]([C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@@H](C2)CC[C@H]2[C@@H]3[C@H](O)C[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_192	O=C[C@@]12CC[C@@H](C[C@@]2(O)CCC2C1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@H]1OC(C)[C@H](C(C1O)O)O	0.12	0.0
Compound_193	O=C1O[C@@H]2C[C@H]3C(=C[C@@H]([C@H]([C@@]3([C@@H]3[C@@]42[C@@H](C1)[C@@H](C)[C@H]([C@@]3(OC4)O)O)C)O)O)C	0.12	0.0
Compound_194	O=C1O[C@@H]2C[C@H]3C(=CC(=O)[C@H]([C@@]3([C@@H]3[C@@]42[C@@H](C1)[C@@H](C)[C@H]([C@@]3(OC4)O)O)C)O)C	0.13	0.0
Compound_195	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O	0.12	0.0
Compound_196	CC[C@@]12CCCN(C2)CCc2c(CC1)[nH]c1c2cccc1	0.08	0.0
Compound_197	CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)O[C@H]([C@@H]1O)C	0.15	0.0
Compound_198	CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)O[C@H]([C@@H]1O[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)C	0.04	0.0
Compound_199	CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@H]([C@@H]1O[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)C	0.13	0.0
Compound_200	CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]34[C@]2(O)CC[C@@H]4[C@@]2(OC3)COC(=O)C2)C)O[C@H]([C@@H]1O[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)C	0.2	0.0
Compound_201	CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@H]([C@@H]1O)C	0.15	0.0
Compound_202	CC[C@@]12CCCN3[C@H]2[C@]2([C@@H](CC1)N(c1c2cccc1OC)C(=O)C)CC3	0.07	0.0
Compound_203	OC[C@H]1O[C@@H](OC(=O)C(=C)C(CO)O)[C@@H]([C@H]([C@@H]1O)O)O	0.82	1.0
Compound_204	COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC	0.88	1.0
Compound_205	OC[C@@]1(O)C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2)c2ccoc2CC1)C	0.25	0.0
Compound_206	OC[C@@]1(O)C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2)c2ccoc2C=C1)C	0.42	0.0
Compound_207	O[C@@H]1[C@@H]2OC(=O)C3=C2[C@@H]([C@]2([C@@H]1C)C[C@H](OC2=O)c1cocc1)CCC3	0.25	0.0
Compound_208	O=C1O[C@H]2C3=C1CCC[C@@H]3[C@]1([C@@H](C2)C)C[C@H](OC1=O)c1cocc1	0.42	0.0
Compound_209	O[C@H]1CC[C@@H]2C3=C1C(=O)O[C@@H]3C[C@H]([C@@]12C[C@H](OC1=O)c1cocc1)C	0.56	1.0
Compound_210	O=C1O[C@H]2C3=C1CCC[C@H]3[C@]1([C@@H](C2)C)C[C@H](OC1=O)c1cocc1	0.42	0.0
Compound_211	C[C@@H]1C[C@@H](O)[C@@]23[C@@H]([C@]41C[C@H](OC4=O)c1ccoc1)C[C@H]1[C@@H]([C@@]3(O)C(=O)OC2)O1	0.25	0.0
Compound_212	OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H](C[C@@]3(O4)C(=C)C)C)c1ccccc1	0.47	0.0
Compound_213	OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)c1ccccc1	0.46	0.0
Compound_214	CCC/C=C/C=C/C=C/C(=O)O[C@@H]1[C@@H](C)[C@@]23OC4(O[C@]1(C(=C)C)[C@@H]([C@@H]2[C@@H]1O[C@@]1([C@H]([C@]1([C@H]3C=C(C1=O)C)O)O)CO)O4)c1ccccc1	0.49	0.0
Compound_215	COc1ccc2c(c1)NC(=O)[C@@]12CCN2[C@@H]1C[C@H]1[C@@H](C2)[C@H](C)OC=C1C(=O)OC	0.02	0.0
Compound_216	OCC1=C[C@H]2[C@H]3[C@H](C3(C)C)C[C@H]([C@]3([C@@]([C@@H]1O)(O)[C@@H](O)C(=C3)C)C2=O)C	0.16	0.0
Compound_217	O=C(c1ccccc1)OCC1=C[C@H]2[C@H]3[C@H](C3(C)C)C[C@H]([C@]3([C@@]([C@@H]1O)(O)[C@@H](OC(=O)c1ccccc1)C(=C3)C)C2=O)C	0.35	0.0
Compound_218	CCCCCCCCCCCC(=O)O[C@H]1C(=C[C@]23[C@]1(O)[C@H](O)C(=C[C@@](C3=O)(C)[C@]1([C@](C[C@H]2C)(C)C1(C)C)C)CO)C	0.12	0.0
Compound_219	C/C=C(\C(=O)O[C@H]1C(=C[C@]23[C@]1(O)[C@H](O)C(=C[C@@H](C3=O)[C@H]1[C@@H](C[C@H]2C)C1(C)C)CO)C)/C	0.28	0.0
Compound_220	OCC1=C[C@@H]2C(=O)[C@@]3([C@@]([C@@H]1O)(O)[C@@H](O)C(=C3)C)[C@@H](C[C@@]1([C@H]2C1(C)C)O)C	0.21	0.0
Compound_221	CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C(=O)[C@H]([C@@H]1C2(C)C)C=C([C@H]([C@]4(O)[C@H](C(=C3)C)OC(=O)C(C(C)C)C)O)CO	0.12	0.0
Compound_222	CC1=C[C@H]2[C@H]3[C@H](C3(C)C)C[C@H]([C@]3([C@@]([C@@H]1O)(O)[C@@H](O)C(=C3)C)C2=O)C	0.34	0.0
Compound_223	COc1cc(ccc1O)CC(=O)OCC1=C[C@H]2[C@H]3OC4(O[C@]2([C@H]2[C@@](C1)(O)C(=O)C(=C2)C)[C@@H](C[C@@]3(O4)C(=C)C)C)Cc1ccccc1	0.31	0.0
Compound_224	CC(=O)O[C@H]1[C@@H](C)/C=C\C(C)(C)[C@H](OC(=O)C)C[C@H](/C(=C\[C@@H]2[C@]1(O)C[C@@H]([C@@H]2OC(=O)c1ccccc1)C)/C)OC(=O)C	0.35	0.0
Compound_225	C=C1CC[C@H]2[C@H](C2(C)C)/C=C(/C(=O)[C@@]2([C@@H]([C@H]1O)[C@@H](O)[C@H](C2)C)O)\C	0.24	0.0
Compound_226	CN1CC[C@@]2([C@H]1Nc1c2cccc1)[C@@]12CCN([C@@H]1Nc1c2cccc1)C	0.01	0.0
Compound_227	O=C1O[C@H]2[C@H]3[C@]1(C)CCC[C@]3(C)[C@]1([C@@H](C2)C)CC[C@]2(O1)COC=C2	0.45	0.0
Compound_228	C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@]([C@@]1(O)CCc1cocc1)(C)CCC3)C	0.26	0.0
Compound_229	OC[C@@]1(C)CCC[C@]2([C@H]1[C@H](O)C[C@H]([C@]2(O)CCc1cocc1)C)C	0.29	0.0
Compound_230	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C	0.51	1.0
Compound_231	CC(=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](O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O	0.51	1.0
Compound_232	OC[C@]12[C@@H](O)C[C@@H]3[C@]([C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(C(C(=C(C)[C@H](C2)O)[C@H](C1=O)OC(=O)C)(C)C)O)(CO3)OC(=O)C	0.48	0.0
Compound_233	CC(=O)O[C@H]1C[C@@H]2[C@@H](OC(=O)C)[C@@H]3[C@@]4(CO4)[C@@H](OC(=O)C)C[C@@H]([C@]3([C@H]([C@@H](C(=C1C)C2(C)C)OC(=O)C)OC(=O)C)C)OC(=O)C	0.31	0.0
Compound_234	CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3([C@H]([C@@H](C(=C1C)C2(C)C)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C	0.42	0.0
Compound_235	CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3([C@H]([C@@H](C(=C1C)C2(C)C)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C	0.37	0.0
Compound_236	CC(=O)O[C@H]1CC[C@@]2([C@@H](C1=C)C[C@@H]1C[C@@H](C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)OC(=O)C)C	0.4	0.0
Compound_237	CN1CC[C@]2([C@@H]1Nc1c2cccc1)[C@]12CCN([C@H]1N(c1c2cccc1)C)C	0.01	0.0
Compound_238	CC(=O)O[C@H]1[C@@H]2C(=C)[C@H](CC[C@@]2(C)[C@@H](OC(=O)C)[C@@H](C2=C(C(=O)C[C@@H]1C2(C)C)C)OC(=O)C)OC(=O)/C=C/c1ccccc1	0.31	0.0
Compound_239	CC(=O)O[C@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=C)[C@@H]2[C@]1(C)[C@@H](OC(=O)C)[C@H](OC(=O)C)C1=C(C(=O)C[C@@H]([C@H]2OC(=O)C)C1(C)C)C	0.3	0.0
Compound_240	CC(=O)O[C@H]1C[C@H](O)C(=C)[C@@H]2[C@]1(C)[C@@H](OC(=O)C)[C@H](OC(=O)c1ccccc1)C1=C(C)[C@H](C[C@]1([C@H]2OC(=O)C)C(O)(C)C)O	0.53	1.0
Compound_241	O=C(O[C@H]1C[C@H](OC(=O)C)[C@@]2([C@@H](C1=C)[C@H](OC(=O)C)[C@@H]1CC(=O)[C@@]3([C@]([C@H]([C@@H]2OC(=O)C)OC(=O)C)([C@@]1(C)CO3)O)C)COC(=O)c1ccccc1)/C=C/c1ccccc1	0.6	1.0
Compound_242	CC(=O)O[C@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=C)[C@@H]2[C@]1(C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@]1([C@@]3([C@H]([C@H]2OC(=O)C)CC(=O)[C@@]1(C)OC3)C)O	0.6	1.0
Compound_243	O=C(C[C@H](c1ccccc1)N(C)C)O[C@H]1CC[C@@]2([C@@H](C1=C)[C@H](O)[C@]1(O)CC(=O)C(=C([C@H]([C@@H]2O)OC(=O)C)C1(C)C)C)C	0.05	0.0
Compound_244	O=C(C[C@H](c1ccccc1)N(C)C)O[C@H]1CC[C@@]2([C@@H](C1=C)[C@H](O)[C@]1(O)CC(=O)C(=C([C@H]([C@@H]2OC(=O)C)O)C1(C)C)C)C	0.05	0.0
Compound_245	CC(=O)O[C@H]1/C=C/2\C[C@@](C)([C@H](C[C@@H]2OC(=O)[C@@H]([C@H](c2ccccc2)N(C)C)O)O)C(=O)[C@@H](C2=C([C@H](C[C@@H]1C2(C)C)OC(=O)C)C)O	0.05	0.0
Compound_246	C/C=C(\C(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)O)C)C(=O)O)/C	0.09	0.0
Compound_247	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C	0.2	0.0
Compound_248	COc1cc2c3C[C@@H]4CCCN4Cc3c3c(c2cc1OC)cc(c(c3)OC)OC	0.03	0.0
Compound_249	C/C=C(/C(=O)N[C@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)O)OC(=O)C)O)c1ccccc1)\C	0.2	0.0
Compound_250	CCCCCC(=O)N[C@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@@](C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)(C)[C@@H](O)C[C@@H]1[C@]3(CO1)OC(=O)C)O)c1ccccc1	0.1	0.0
Compound_251	CC(=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)O)C)C)O	0.17	0.0
Compound_252	C/C=C(/C(=O)N[C@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)O)C)O)OC(=O)C)O)c1ccccc1)\C	0.2	0.0
Compound_253	O=C(C[C@H](c1ccccc1)N(C)C)O[C@H]1CC[C@@]2([C@@H](C1=C)[C@H](OC(=O)C)[C@]1(O)CC(=O)C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)C	0.06	0.0
Compound_254	O=C(C[C@H](c1ccccc1)N(C)C)O[C@H]1CC[C@@]2([C@@H](C1=C)[C@H](OC(=O)C)[C@@H]1CC(=O)C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)C	0.15	0.0
Compound_255	CC(C1=CC2=CC[C@@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C	0.07	0.0
Compound_256	OC/C=C(/CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)O)\C	0.09	0.0
Compound_257	C=C[C@]1(C)CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O	0.18	0.0
Compound_258	C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1	0.2	0.0
Compound_259	COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3	0.05	0.0
Compound_260	OC[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_261	OC[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	0.11	0.0
Compound_262	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O)C[C@@]2(C)O	0.22	0.0
Compound_263	C=C1[C@@H]2CC[C@@H]3[C@H]([C@@]2(C[C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)C[C@@]3(C)O)O	0.1	0.0
Compound_264	O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H](C2)O)(C)O)(C)O	0.3	0.0
Compound_265	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H](C3=C)C[C@@H](C1(C)C)O)O)C[C@@]2(C)O	0.3	0.0
Compound_266	O[C@@H]1CC23C[C@@](C([C@@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)C(=O)C2)(C)O)(C)O	0.23	0.0
Compound_267	CC1=CC23[C@H](C1CC[C@H]3[C@@](C)(O)[C@H]1[C@@]([C@@H](C2)O)(O)C(C)(C)[C@H](C1)O)O	0.06	0.0
Compound_268	C=C1[C@@H]2CCC3[C@@H](C2(CC3=C)C[C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)O	0.23	0.0
Compound_269	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C=C2C)C[C@@H](O)[C@]1([C@H](C3=C)C[C@@H](C1(C)C)O)O	0.19	0.0
Compound_270	C=C1[C@@H]2CC[C@@H]3C[C@@]2(C[C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)C[C@@]3(C)O	0.09	0.0
Compound_271	CC(=O)O[C@@H]1[C@@H](O)[C@@]2(O)[C@H]([C@]([C@H]3[C@@]41C[C@H]([C@](C4)(C)O)CC3)(C)O)[C@H]1[C@@H](C2(C)C)O1	0.25	0.0
Compound_272	O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)[C@H](O)[C@@H](O)[C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O	0.37	0.0
Compound_273	C=C1[C@@H]2CC[C@@H]3[C@H]([C@]2(C[C@@]3(C)O)[C@@H]([C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)O)O	0.09	0.0
Compound_274	CC(=O)O[C@@H]1[C@@H](O)[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H](C2)O)(C)O)(C)O	0.27	0.0
Compound_275	CC(=O)O[C@@H]1[C@@H](O)[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@@H]1[C@H]2O1)(C)O)(C)O	0.5	0.0
Compound_276	CC(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@]2(O)[C@H]([C@]([C@H]3[C@]41C[C@@]([C@@H]([C@H]4O)CC3)(C)O)(C)O)[C@H]1[C@@H](C2(C)C)O1	0.46	0.0
Compound_277	CC(=O)O[C@@H]1[C@@H](O)[C@@]2(O)[C@H]([C@]([C@H]3[C@]41C[C@@]([C@@H]([C@H]4OC(=O)C)CC3)(C)O)(C)O)[C@H]([C@@H](C2(C)C)O)O	0.15	0.0
Compound_278	O[C@H]1C[C@@H]2[C@](C1(C)C)(O)[C@H](O)C[C@]1([C@H]3[C@H]([C@@]2(C)O)CC[C@@H]3[C@](C1)(C)O)O	0.14	0.0
Compound_279	CC1=C2CC[C@@H]3[C@H]([C@@]2(C[C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)C[C@@]3(C)O)O	0.07	0.0
Compound_280	CCC(=O)OC1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O)C[C@@]2(C)O	0.23	0.0
Compound_281	CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H](C3=C)C[C@@H](C1(C)C)O)O)C[C@@]2(C)O	0.36	0.0
Compound_282	CC(C(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1([C@H]([C@@]3(C)O)[C@H]3[C@@H](C1(C)C)O3)O)C[C@@]2(C)O)O	0.37	0.0
Compound_283	CCC(=O)O[C@@H]1[C@@H](O)[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H](C2)O)(C)O)(C)O	0.3	0.0
Compound_284	CCC(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@]2(O)[C@H]([C@]([C@H]3[C@]41C[C@@]([C@@H]([C@H]4O)CC3)(C)O)(C)O)C[C@@H](C2(C)C)O	0.52	1.0
Compound_285	CCC(=O)O[C@@H]1[C@@H](O)[C@@]2(O)[C@H]([C@]([C@H]3[C@]41C[C@@]([C@@H]([C@H]4O)CC3)(C)O)(C)O)C[C@@H](C2(C)C)O	0.23	0.0
Compound_286	CCC(=O)O[C@@H]1[C@H]2CC[C@@]3([C@@]1(C[C@@]2(C)O)[C@H](OC(=O)C)[C@@H](O)[C@]1([C@H]([C@]3(C)O)[C@H]2[C@@H](C1(C)C)O2)O)O	0.24	0.0
Compound_287	CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)[C@H](O)[C@@H](OC(=O)C)[C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O	0.45	0.0
Compound_288	CCC(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@]2(O)[C@H](C(=C)[C@H]3[C@]41C[C@@]([C@@H]([C@H]4O)CC3)(C)O)C[C@@H](C2(C)C)O	0.29	0.0
Compound_289	CCC(=O)O[C@@H]1C2CCC3C1(C[C@@]2(C)O)[C@H](O)[C@@H](OC(=O)C)[C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O	0.45	0.0
Compound_290	O[C@@H]1[C@@H](O)[C@@]2(O)[C@H]([C@]([C@]3(C41C[C@@]([C@H]([C@@H]4O)CC3)(C)O)O)(C)O)[C@H]1[C@@H](C2(C)C)O1	0.33	0.0
Compound_291	CC(=O)O[C@@H]1[C@@H](O)[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@]3([C@@]([C@H]2[C@@]1(O)C(C)(C)[C@@H]1[C@H]2O1)(C)O)O)(C)O	0.54	1.0
Compound_292	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](OC(=O)C)[C@]1([C@H]([C@]3(C)O)[C@H]3[C@@H](C1(C)C)O3)O)C[C@@]2(C)O	0.49	0.0
Compound_293	CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@@H]1[C@H]2O1)(C)O)(C)O	0.5	0.0
Compound_294	O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H]([C@]3(C)O)[C@H]3[C@@H](C1(C)C)O3)O)C[C@@]2(C)O	0.38	0.0
Compound_295	CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2OC(=O)C)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H](C2)O)(C)O)(C)O	0.51	1.0
Compound_296	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H]([C@]3(C)O)[C@H]3[C@@H](C1(C)C)O3)O)C[C@@]2(C)O	0.35	0.0
Compound_297	O[C@@H]1[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H]([C@@]3(C[C@H]([C@@]2(C([C@H]1O)(C)C)O)O)C[C@@]4(C)O)O	0.33	0.0
Compound_298	CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2OC(=O)C)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H]([C@@H]2O)O)(C)O)(C)O	0.38	0.0
Compound_299	CO[C@@H]1[C@H](O)C([C@@]2([C@@H]1C(=C)[C@@H]1CC[C@@H]3[C@H]([C@@]1(C[C@H]2O)C[C@@]3(C)O)O)O)(C)C	0.18	0.0
Compound_300	OCCC(=C)C(=O)OC[C@H]1O[C@@H](OC(=O)C(=C)CCO)[C@@H]([C@H]([C@@H]1O)O)O	0.63	1.0
Compound_301	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H](C3=C)[C@@H]([C@@H](C1(C)C)O)O)O)C[C@@]2(C)O	0.29	0.0
Compound_302	C=C1[C@@H]2CC[C@@H]3[C@H]([C@@]2(C[C@H]([C@]2([C@H]1[C@H](O)[C@@H](C2(C)C)O)O)O)C[C@@]3(C)O)O	0.09	0.0
Compound_303	C=C1[C@@H]2CC[C@@H]3[C@H]([C@]2(C=C3C)C[C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)O	0.09	0.0
Compound_304	COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(cc3)O)[C@@H]([C@H]([C@@H]2O)O)O)ccc1O	0.76	1.0
Compound_305	OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@](C2(C)C)(O)[C@H](O)C[C@]24[C@H](C3=C)CC[C@H](C2)[C@](C4)(C)O)[C@@H]([C@H]([C@@H]1O)O)O	0.3	0.0
Compound_306	O=C(OC[C@]12O[C@H]1[C@H]([C@H]1[C@@H]2[C@H](O)OC=C1)O)/C=C\c1ccccc1	0.71	1.0
Compound_307	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(COC(=O)/C=C/c4ccccc4)O[C@H]2[C@H]3O)[C@@H]([C@H]([C@@H]1O)O)O	0.59	1.0
Compound_308	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(COC(=O)/C=C\c4ccccc4)O[C@H]2[C@H]3O)[C@@H]([C@H]([C@@H]1O)O)O	0.59	1.0
Compound_309	COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(O)c(cc1)OC	0.02	0.0
Compound_310	O=C/C=C(/CCC=C(C)C)\C	0.12	0.0
Compound_311	O=C/C=C(\CCC=C(C)C)/C	0.12	0.0
Compound_312	OC/C=C(/CCC=C(C)C)\C	0.06	0.0
Compound_313	OC/C=C(\CCC=C(C)C)/C	0.2	0.0
Compound_314	C=C[C@@](CCC=C(C)C)(O)C	0.21	0.0
Compound_315	C=C[C@](CCC=C(C)C)(O)C	0.21	0.0
Compound_316	C=CC(C(=C)C)/C=C(/CO)\C	0.55	1.0
Compound_317	COc1ccc2c(c1O)c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3	0.1	0.0
Compound_318	C=CC(C(=C)C)/C=C(/COC(=O)C)\C	0.88	1.0
Compound_319	C=CC(=C)CCCC(=C)C	0.81	1.0
Compound_320	C=CC(=C)CCC=C(C)C	0.39	0.0
Compound_321	C=C/C(=C/CCC(=C)C)/C	0.49	0.0
Compound_322	C=C/C(=C\CC=C(C)C)/C	0.83	1.0
Compound_323	C=C/C(=C/CC=C(C)C)/C	0.83	1.0
Compound_324	CC1=CC[C@@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C	0.53	1.0
Compound_325	CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1	0.4	0.0
Compound_326	CC1=C[C@@H]2[C@@H](CC1)[C@](C)(O)CC[C@H]2C(C)C	0.07	0.0
Compound_327	CC1=CC[C@H]2[C@H]([C@@H]1C2(C)C)O	0.67	1.0
Compound_328	CC(=O)O[C@@H]1[C@@H]2CC=C([C@H]1C2(C)C)C	0.68	1.0
Compound_329	COc1ccc(cc1O)C[C@@H]1N(C)CCc2c1cc(O)c(c2)OC	0.02	0.0
Compound_330	C=C1CCC[C@]2([C@H]1C[C@@H](CC2)C(O)(C)C)C	0.17	0.0
Compound_331	CC([C@@]12CC[C@@]3([C@H]([C@H]2O1)O3)C)C	0.87	1.0
Compound_332	CC1=CC[C@@H](CC1)C(=C)C	0.59	1.0
Compound_333	CC1=CC[C@H](CC1)C(=C)C	0.59	1.0
Compound_334	COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c2OCOc2cc1	0.08	0.0
Compound_335	CC1=CC[C@@H]2C[C@H]1C2(C)C	0.93	1.0
Compound_336	CC1=CC[C@H]2C[C@@H]1C2(C)C	0.93	1.0
Compound_337	C=C1CC[C@@H]2C[C@H]1C2(C)C	0.91	1.0
Compound_338	C=C1CC[C@H]2C[C@@H]1C2(C)C	0.91	1.0
Compound_339	C1Oc2c(O1)cc1c(c2)ccc2c1ncc1c2ccc2c1OCO2	0.93	1.0
Compound_340	C=C1CC[C@@]2([C@H]1C2)C(C)C	0.89	1.0
Compound_341	C=C1CC[C@]2([C@@H]1C2)C(C)C	0.89	1.0
Compound_342	O=C1C[C@]2([C@@H](C1=C)C2)C(C)C	0.98	1.0
Compound_343	O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C	0.92	1.0
Compound_344	O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C	0.92	1.0
Compound_345	OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccccc3)[C@@H]3O[C@@]2(C)C[C@]4(O3)O)[C@@H]([C@H]([C@@H]1O)O)O	0.29	0.0
Compound_346	OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccccc3)C(=O)O[C@@]2(C)C[C@H]4O)[C@@H]([C@H]([C@@H]1O)O)O	0.15	0.0
Compound_347	OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccc(cc3)O)[C@@H]3O[C@@]2(C)C[C@]4(O3)O)[C@@H]([C@H]([C@@H]1O)O)O	0.43	0.0
Compound_348	O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=O)c1ccccc1)O[C@@]12C[C@@H]3[C@@]2(COC(=O)c2ccccc2)[C@@H]2O[C@@]1(C)C[C@]3(O2)O	0.2	0.0
Compound_349	O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=O)c1ccccc1)O[C@@]12C[C@@H]3[C@@]2(COC(=O)c2ccc(cc2)O)[C@@H]2O[C@@]1(C)C[C@]3(O2)O	0.36	0.0
Compound_350	O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=O)c1cc(O)c(c(c1)O)O)O[C@]12C[C@H]3[C@@]2(COC(=O)c2ccccc2)[C@@H]2O[C@@]1(C)C[C@]3(O2)O	0.34	0.0
Compound_351	O=C(c1ccccc1)OC[C@H]1[C@H]2O[C@@]3([C@](O2)(C[C@H]1C(=O)C3)O)C	0.46	0.0
Compound_352	C=C/C=C\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(C)C	0.5	0.0
Compound_353	C=C/C=C\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)/C=C(/C(=O)OC)\C	0.08	0.0
Compound_354	C/C=C\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(C)C	0.23	0.0
Compound_355	C/C=C\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)/C=C(/C(=O)OC)\C	0.16	0.0
Compound_356	CC/C=C\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(C)C	0.2	0.0
Compound_357	CC/C=C\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)/C=C(/C(=O)OC)\C	0.12	0.0
Compound_358	CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C	0.43	0.0
Compound_359	CC(CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C	0.48	0.0
Compound_360	CC(CC(=O)O[C@@H]1OC=C(C2=C[C@@H]([C@@]3([C@@H]12)CO3)OC(=O)CC(OC(=O)C)(C)C)COC(=O)C)C	0.45	0.0
Compound_361	CCC(CC(=O)O[C@H]1C=C2C(=CO[C@H]([C@@H]2C[C@@]21OC2)OC(=O)CC(C)C)COC(=O)C)C	0.56	1.0
Compound_362	CC(CC(=O)O[C@@H]1OC=C([C@@]2([C@H]1[C@@]1(CO1)[C@H](C2)OC(=O)C)O)COC(=O)C(C(C)C)OC(=O)CC(C)C)C	0.19	0.0
Compound_363	CC(CC(=O)OCC1=CO[C@H]([C@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C	0.34	0.0
Compound_364	OCC1=C[C@H]([C@H]2[C@@H]1[C@H](O)OC=C2)O	0.84	1.0
Compound_365	OCCC(=C)C(=O)OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)O	0.68	1.0
Compound_366	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@](O)(C=C3)COC(=O)/C=C/c2ccc(cc2)O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.73	1.0
Compound_367	OCC1=C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.78	1.0
Compound_368	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3O)[C@@H]([C@H]([C@@H]1O)O)O	0.45	0.0
Compound_369	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@@](C)(O)[C@H](C3)OC(=O)/C=C/c2ccccc2)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.56	1.0
Compound_370	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@@](C)(O)[C@H](C3)OC(=O)/C=C/c2ccc(cc2)OC)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.43	0.0
Compound_371	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2C(=C[C@H]3O)COC(=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.88	1.0
Compound_372	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@](C)(O)CC3)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.55	1.0
Compound_373	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@](C)(O)CC3)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.76	1.0
Compound_374	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@H](C)[C@H](C3)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.76	1.0
Compound_375	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@H](C)[C@H](C3)O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.71	1.0
Compound_376	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@@](C)(O)CC3)O)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.64	1.0
Compound_377	OCC1=C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O	0.59	1.0
Compound_378	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@H](C)CC3)O)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.61	1.0
Compound_379	O=CC1=CO[C@H]([C@H]2[C@@H]1CC[C@H]2C)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.78	1.0
Compound_380	OC[C@H]1O[C@@H](OCC2=CO[C@H]([C@H]3[C@@H]2CC(=O)[C@@H]3C)OC(=O)CC(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.17	0.0
Compound_381	OC[C@H]1O[C@@H](OCC2=CO[C@H]3[C@@H]([C@@H]2CC(=O)O3)C=C)[C@@H]([C@H]([C@@H]1O)O)O	0.84	1.0
Compound_382	OC[C@H]1O[C@@H](OCC2=CO[C@H]([C@H]3[C@@H]2C[C@@H]([C@@H]3C)O)OC(=O)CC(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.15	0.0
Compound_383	OCC1O[C@@H](OCC2=CO[C@H]([C@H]3[C@@H]2CC(=O)[C@@H]3C)OC(=O)CC(C)C)[C@H](C([C@@H]1OC1OCC(C1O)(O)CO)O)O	0.1	0.0
Compound_384	O=CC[C@H]1[C@@H](OC=C([C@H]1CC(=O)OCCc1ccc(c(c1)O)O)C(=O)OC)O[C@@H]1OC(CO)[C@H](C([C@@H]1O)O)O	0.41	0.0
Compound_385	O=CC[C@H]1[C@@H](OC=C([C@H]1CC(=O)OCCc1ccc(cc1)O)C(=O)OC)O[C@@H]1OC(CO)[C@H](C([C@@H]1O)O)O	0.55	1.0
Compound_386	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H](/C/2=C\C)CC(=O)OCCc2ccc(c(c2)O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.51	1.0
Compound_387	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H](/C/2=C\C)CC(=O)OCCc2ccc(cc2)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.6	1.0
Compound_388	O=C1C[C@@]2(CC=C1C)[C@@H](C)CC[C@H]2C(C)C	0.74	1.0
Compound_389	C/C/1=C/CC/C(=C\C(=O)[C@@H](CC1)C(C)C)/C	0.11	0.0
Compound_390	OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C	0.2	0.0
Compound_391	C/C/1=C\CCC(=C)/C=C/C(CC1)C(C)C	0.47	0.0
Compound_392	CC(=O)O[C@H]1C(=O)/C(=C/CCC(=C)[C@@H]2[C@@H]1C(C2)(C)C)/C	0.29	0.0
Compound_393	C=C1CC/C=C(\C(=O)[C@@H]([C@@H]2[C@@H]1CC2(C)C)O)/C	0.14	0.0
Compound_394	COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3	0.06	0.0
Compound_395	C=C1CC/C=C(/C(=O)C[C@@H]2[C@@H]1CC2(C)C)\C	0.74	1.0
Compound_396	C=C1CC/C=C(\C(=O)C[C@@H]2[C@@H]1CC2(C)C)/C	0.74	1.0
Compound_397	OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.42	0.0
Compound_398	OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@@]([C@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1O)O)O	0.24	0.0
Compound_399	OC[C@H]1O[C@@H](OC2=C(C)C3([C@@]([C@@H]4C2C[C@@](C4=O)(C)CO)(C)O)CC3)[C@@H]([C@H]([C@@H]1O)O)O	0.34	0.0
Compound_400	OCCc1c(C)cc2c(c1C)C(=O)[C@@H](C2)C	0.33	0.0
Compound_401	C=CC(=C)CC/C=C(/CCC=C(C)C)\C	0.11	0.0
Compound_402	C=C/C(=C/C/C=C(/CCC=C(C)C)\C)/C	0.09	0.0
Compound_403	CC1=CC[C@H](CC1)[C@]1(C)CC[C@@H](C(O1)(C)C)O	0.38	0.0
Compound_404	CC1=CC[C@H](CC1)[C@]1(C)CCC(=O)C(O1)(C)C	0.56	1.0
Compound_405	CC1=CC[C@H](CC1)[C@]1(C)CC[C@H](O1)C(O)(C)C	0.2	0.0
Compound_406	CC(=CCC[C@@]([C@H]1CCC(=CC1)C)(O)C)C	0.05	0.0
Compound_407	C/C=C(/C(=O)O[C@]1(C)[C@H](O)C[C@@H]2[C@@H](C3C41OO[C@]3(C=C4)C)OC(=O)C2=C)\C	0.46	0.0
Compound_408	C/C(=C\CC1COC(=O)C1=C)/CC(=O)C=C(C)C	0.39	0.0
Compound_409	C=C1C(=O)O[C@H]2[C@@H]1C[C@]1(C)C(=O)CC[C@]1([C@H](C2)C)O	0.29	0.0
Compound_410	OC/C/1=C\[C@@H](O)[C@H]2[C@H](C/C(=C/CC1)/C)OC(=O)C2=C	0.78	1.0
Compound_411	O=C1O[C@@H]2[C@H](C1=C)CC[C@@H]([C@]1([C@@]2(C)C(=O)CC1)O)C	0.37	0.0
Compound_412	C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C2=C	0.8	1.0
Compound_413	O=C1C=C[C@@]23[C@](O1)(C)[C@@H]1OC(=O)C(=C)[C@@H]1CC[C@]3(O2)C	0.74	1.0
Compound_414	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@H]3N(CC2)C)ccc4O)cc1)C	0.1	0.0
Compound_415	OC/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C/C(=C/CC1)/C)OC(=O)C(CO)C	0.26	0.0
Compound_416	C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C	0.42	0.0
Compound_417	CC(=O)O[C@H]1[C@H]2[C@H](OC(=O)C2=C)C[C@H]([C@H]2[C@@]1(C)C(=O)C=C2)C	0.78	1.0
Compound_418	O=C(C(C)C)O[C@H]1[C@H]2[C@@H](C[C@H]([C@H]3[C@@]1(C)C(=O)C=C3)C)OC(=O)C2=C	0.55	1.0
Compound_419	CCC(C(=O)O[C@H]1[C@H]2[C@@H](C[C@H]([C@H]3[C@@]1(C)C(=O)C=C3)C)OC(=O)C2=C)C	0.75	1.0
Compound_420	C[C@@H]1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C	0.47	0.0
Compound_421	CC(CC(=O)O[C@H]1[C@H]2[C@@H](C[C@H]([C@H]3[C@@]1(C)C(=O)C=C3)C)OC(=O)[C@H]2C)C	0.62	1.0
Compound_422	C[C@@H]1C[C@H]2OC(=O)[C@H]([C@H]2[C@@H]([C@]2([C@H]1C=CC2=O)C)OC(=O)C(=C)C)C	0.78	1.0
Compound_423	C/C=C(/C(=O)O[C@H]1[C@H]2[C@@H](C[C@H]([C@H]3[C@@]1(C)C(=O)C=C3)C)OC(=O)[C@H]2C)\C	0.42	0.0
Compound_424	O=C1O[C@H]2[C@H]([C@@H]1C)CC[C@](C1=CCC(=C21)C)(C)O	0.19	0.0
Compound_425	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4O)cc2)C)cc(c1OC)OC)C	0.1	0.0
Compound_426	O=C1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3	0.42	0.0
Compound_427	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]([C@H]1C2=C(C)[C@H]2[C@@H]1[C@@H]1[C@@H]3[C@]2(C(=C1)C)[C@H]1OC(=O)[C@H]([C@@H]1CC[C@]3(C)O)C)(C)O	0.38	0.0
Compound_428	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]([C@H]1C2=C(C)[C@H]2[C@@H]1[C@@H]1[C@@H]3[C@@]42[C@H]2OC(=O)[C@H]([C@@H]2CC[C@@]3(O[C@@]4([C@@H]1O)C)C)C)(C)O	0.83	1.0
Compound_429	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]([C@H]1C2=C(C)[C@H]2[C@@H]1[C@@H]1[C@@H]3[C@@]42[C@H]2OC(=O)[C@H]([C@@H]2CC[C@@]3(O[C@]4(C1)C)C)C)(C)O	0.34	0.0
Compound_430	CC(=O)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1[C@H](C)C(=O)O3)[C@](C=C2)(C)O)C	0.69	1.0
Compound_431	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@](C1=C2[C@@](C)(O)CC1=O)(C)O	0.25	0.0
Compound_432	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@](C1=C2[C@](C)(O)CC1=O)(C)O	0.25	0.0
Compound_433	C/C/1=C/C[C@H](O)/C(=C\[C@@H]2[C@@H](CC1)[C@@H](C)C(=O)O2)/C	0.07	0.0
Compound_434	C/C/1=C/CC(=O)[C@@H](C)C[C@@H]2[C@@H](CC1)[C@@H](C)C(=O)O2	0.19	0.0
Compound_435	C/C/1=C\C[C@@H](O)[C@H](C[C@@H]2[C@@H](CC1)[C@@H](C)C(=O)O2)C	0.14	0.0
Compound_436	C[C@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@H](C)C(=O)C[C@H]1O)C	0.22	0.0
Compound_437	C/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2CCC(=C)[C@@H](CC1)O	0.59	1.0
Compound_438	OO[C@@H]1CC/C(=C/[C@@H]2[C@@H](CCC1=C)C(=C)C(=O)O2)/C	0.39	0.0
Compound_439	C/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2CCC(=C)C(=O)CC1	0.61	1.0
Compound_440	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@](C)(O)C=CC1=O)C	0.33	0.0
Compound_441	OCC(=C)C(=O)O[C@H]1CC(=C)[C@H]2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=C)[C@H](C2)O	0.85	1.0
Compound_442	OCC(=C)C(=O)O[C@H]1CC(=C)[C@H]2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=C)C(=O)C2	0.91	1.0
Compound_443	C[C@@H]1C(=O)C[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@H](CC2=C)O	0.79	1.0
Compound_444	OC[C@@]1(O)C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1[C@@H]2[C@H](C)[C@H](C1)O	0.39	0.0
Compound_445	OCC(=CC(=O)O[C@@H]1C/C(=C/CC/C(=C/[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)/C)CO	0.2	0.0
Compound_446	C/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C/C(=C/CC1)/C)O	0.48	0.0
Compound_447	C/C/1=C/[C@H]2OC(=O)C(=C)[C@@H]2CC/C(=C\CC1)/C	0.59	1.0
Compound_448	C[C@H]1CCC[C@]2(C1=C[C@H]1[C@@H](C2)OC(=O)C1=C)C	0.62	1.0
Compound_449	O=C1O[C@H]2[C@@H](C1=C)C[C@@H]1[C@](C2)(C)CCCC1=C	0.76	1.0
Compound_450	C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1[C@@H]2C(=C)CC1	0.94	1.0
Compound_451	CC(=O)O[C@@H]1/C=C(/C)\CC/C=C(\C[C@H]2[C@H]1C(=C)C(=O)O2)/C	0.49	0.0
Compound_452	CC(=O)O[C@H]1C[C@@H]2[C@H](C1=C)[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C	0.76	1.0
Compound_453	C=C1CC[C@H]([C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2)C)O	0.34	0.0
Compound_454	CC1=CC[C@H]([C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2)C)O	0.33	0.0
Compound_455	OC[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)/C(=C\C)/C)C[C@@]2([C@@H](C[C@@H]1O)O2)C	0.12	0.0
Compound_456	C/C=C(\C(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2C[C@@H]([C@@](C[C@@H]2[C@@H]1C(=C)C(=O)O2)(C)O)O)/C	0.2	0.0
Compound_457	OC[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)/C(=C\C)/C)C[C@@]2([C@@H](CC1=O)O2)C	0.12	0.0
Compound_458	C/C=C(\C(=O)O[C@@H]1C[C@]2(C)CC[C@@](O2)(/C(=C\[C@@H]2[C@@H]1C(=C)C(=O)O2)/CO)O)/C	0.17	0.0
Compound_459	C/C=C(\C(=O)O[C@@H]1C[C@@]2(C)O[C@](C[C@@H]2O)(/C(=C\[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)O)/C	0.26	0.0
Compound_460	C/C/1=C/[C@H]2OC(=O)C(=C)[C@@H]2C[C@@H](/C(=C\CC1)/C)O	0.36	0.0
Compound_461	C/C=C(\C(=O)O[C@@H]1C[C@@](C)(O)/C=C/C(=O)/C(=C\[C@@H]2[C@@H]1C(=C)C(O2)O)/CO)/C	0.59	1.0
Compound_462	C/C=C(/C(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2C[C@@H](/C(=C/[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)O)\C	0.18	0.0
Compound_463	O=C1O[C@@H]2[C@H](C1=C)CC[C@@H]([C@]1([C@@]2(C)C(=O)C=C1)O)C	0.61	1.0
Compound_464	CC(=O)OC[C@H]1CC[C@@H]2[C@H]([C@]3([C@@]1(O)CCC3=O)C)OC(=O)C2=C	0.47	0.0
Compound_465	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@H]3N(CC2)C)ccc4OC)cc1)C	0.01	0.0
Compound_466	OC[C@H]1CC[C@@H]2[C@H]([C@]3([C@@]1(O)CC[C@@H]3OC(=O)C)C)OC(=O)C2=C	0.3	0.0
Compound_467	O=C1O[C@@H]2[C@H](C1=C)CC[C@@H]([C@@]1([C@@]2(C)C(=O)C=C1)O)C	0.61	1.0
Compound_468	OC[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1CC[C@@H]3OC(=O)C)C)OC(=O)C2=C	0.44	0.0
Compound_469	C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1CCC3=O)C)OC(=O)C2=C	0.71	1.0
Compound_470	C/C/1=C\CC[C@@]2(C)O[C@H]2[C@@H]2[C@@H](CC1)C(=C)C(=O)O2	0.61	1.0
Compound_471	O=C1O[C@H]2[C@H](C1=C)CC[C@@]1([C@]2(O)C(=C)CC[C@H]1O)C	0.48	0.0
Compound_472	C/C/1=C\[C@@H](O)[C@H]2[C@H](/C=C(\[C@H](CC1)O)/C)OC(=O)C2=C	0.52	1.0
Compound_473	C/C/1=C\[C@@H](O)[C@H]2[C@H](CC(=C)[C@@H](CC1)O)OC(=O)C2=C	0.69	1.0
Compound_474	C/C=C(\C(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCC(=O)[C@]1(C)CO)C)C(=O)O)/C	0.09	0.0
Compound_475	OO[C@@H]1CC[C@@]2(CC1=CC[C@@H]1[C@@H]([C@H]2O)OC(=O)C1=C)C	0.38	0.0
Compound_476	COc1c(OC)cc2c3c1Oc1cc4C(=NCCc4cc1OC)Cc1ccc(Oc4c(c(C[C@H]3N(CC2)C)ccc4OC)OC)cc1	0.05	0.0
Compound_477	CC(=O)O[C@@H]1/C=C(\C)/CC[C@@H]2[C@](C[C@H]3[C@H]1C(=C)C(=O)O3)(C)O2	0.25	0.0
Compound_478	O[C@H]1CC[C@]2([C@H](O1)[C@H]1OC(=O)C(=C)[C@@H]1CCC(=O)C2)C	0.36	0.0
Compound_479	CC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C)O	0.82	1.0
Compound_480	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@@](C)(O)CC[C@H]1O)C	0.35	0.0
Compound_481	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C2=C(C)C(=O)C[C@H]1O)C	0.44	0.0
Compound_482	C/C=C(\C(=O)O[C@H]1[C@H]2[C@@H](OC(=O)C2=C)C[C@@]2([C@@H]1C(=C)CC[C@H]2O)C)/C	0.3	0.0
Compound_483	O[C@H]1C[C@@H](O)C(=C)CC[C@@H]2[C@@H](/C=C\1/C)OC(=O)C2=C	0.75	1.0
Compound_484	C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@](CCC1=O)(C)O2	0.29	0.0
Compound_485	O[C@H]1CC(=O)C(=C)CC[C@@H]2[C@H](/C=C\1/C)OC(=O)C2=C	0.41	0.0
Compound_486	C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H]1[C@]3(O1)C)OC(=O)C2=C	0.41	0.0
Compound_487	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]([C@]13[C@@H]2[C@]2(C)O[C@@H]2[C@@H]3O1)(C)O	0.88	1.0
Compound_488	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]([C@@]13[C@@H]2[C@@]2(C)O[C@H]2[C@H]3O1)(C)O	0.88	1.0
Compound_489	O=C1O[C@H]2[C@@H](C1=C)C[C@@]1([C@](C2)(C)CCCC1=C)O	0.37	0.0
Compound_490	O[C@@H]1CC[C@]2([C@H](C1=C)C[C@H]1[C@@H](C2)OC(=O)C1=C)C	0.4	0.0
Compound_491	O=C1O[C@H]2[C@@H](C1=C)C[C@@H]1[C@](C2)(C)[C@H](O)CCC1=C	0.34	0.0
Compound_492	C=C1C(=O)O[C@@H]2[C@@H]1C[C@]1(C)C(=O)CC[C@H]1[C@@H](C2)C	0.71	1.0
Compound_493	C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@]1(C)C(=O)CC[C@H]1[C@@H](C2)C	0.47	0.0
Compound_494	CC(=O)CCC1=CC[C@H]2[C@@H](C[C@@H]1C)OC(=O)C2=C	0.52	1.0
Compound_495	C[C@H](C[C@H](C1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)C2=C)OC(=O)C)O	0.67	1.0
Compound_496	C[C@H](C[C@H](C1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)C2=C)O)OC(=O)C	0.51	1.0
Compound_497	COc1cc2CCN([C@H](c2cc1O)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1N(C)CCc2c1cc(O)c(c2)OC)C	0.03	0.0
Compound_498	CC(=O)C[C@H](C1=CC[C@H]2[C@@H](C[C@@H]1C)OC(=O)C2=C)OC(=O)C	0.66	1.0
Compound_499	CC(=O)/C=C/C1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)C2=C	0.7	1.0
Compound_500	CC(=O)CCC1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)C2=C	0.52	1.0
Compound_501	OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C)O	0.87	1.0
Compound_502	OCC1=CC(=O)C2=C(C)CC[C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C	0.88	1.0
Compound_503	OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)[C@H]3C)O	0.62	1.0
Compound_504	O=C(Cc1ccc(cc1)O)OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C)O	0.83	1.0
Compound_505	OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C)OC(=O)Cc1ccc(cc1)O	0.9	1.0
Compound_506	OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)[C@H]3C)OC(=O)Cc1ccc(cc1)O	0.76	1.0
Compound_507	OCC1=CC(=O)C2=C(C)CC[C@@H]3[C@@H]([C@@H]12)OC(=O)[C@H]3C	0.28	0.0
Compound_508	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc(c1OC)OC)C	0.01	0.0
Compound_509	O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=CC2=O)COC(=O)C(=O)O)C	0.72	1.0
Compound_510	O=C(Cc1ccc(cc1)O)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=CC2=O)COC(=O)C(=O)O)C	0.73	1.0
Compound_511	C[C@@H]1C(=O)O[C@H]2[C@H]1CCC(=C1[C@@H]2C(=CC1=O)C)C	0.35	0.0
Compound_512	OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@H](C2=C)[C@H]2OC(=O)[C@H]([C@@H]2C[C@H](C3=C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.68	1.0
Compound_513	OC[C@H]1O[C@@H](O[C@H]2C/C=C(/C=O)\CC[C@@H]3[C@@H](/C=C/2\C)OC(=O)[C@H]3C)[C@@H]([C@H]([C@@H]1O)O)O	0.29	0.0
Compound_514	OC[C@H]1O[C@@H](O[C@@H]2C[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]3C(=C2C)C(=O)C=C3C)[C@@H]([C@H]([C@@H]1O)O)O	0.35	0.0
Compound_515	C/C(=C\C=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_516	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)\C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.67	1.0
Compound_517	OC[C@H]1O[C@@H](O[C@@H]2CC(=C(C(C2)(C)C)C=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.5	0.0
Compound_518	CN1Cc2c([C@@H]3[C@H]1c1cc4OCOc4cc1C[C@@H]3O)ccc1c2OCO1	0.08	0.0
Compound_519	C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C	0.37	0.0
Compound_520	O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C	0.37	0.0
Compound_521	C[C@@H]1CC[C@]2([C@@H]([C@H]1C)[C@]1(C)CC[C@H]3C(=CC[C@@H]4[C@]3(C)CC[C@@H](C4(C)C)O)[C@]1(CC2)C)C	0.06	0.0
Compound_522	C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O	0.11	0.0
Compound_523	OC[C@H]1O[C@@H](OC2=C[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)C[C@H]([C@@H]3[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C(C2=O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.32	0.0
Compound_524	CC(=O)OC(/C=C/C(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C[C@H](O)C(=O)C2(C)C)C)C)(O)C)(C)C	0.18	0.0
Compound_525	CC(=O)OC(CCC(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C[C@H](O)C(=O)C2(C)C)C)C)(O)C)(C)C	0.06	0.0
Compound_526	OC[C@]12C(=O)C[C@]3([C@@]([C@@H]2CC=C2[C@H]1CC[C@@H](C2(C)C)O)(C)C[C@H]([C@@H]3[C@](C(=O)/C=C/C(OC(=O)C)(C)C)(O)C)O)C	0.05	0.0
Compound_527	O[C@H]1C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C(C1=O)(C)C	0.17	0.0
Compound_528	O[C@H]1C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)CCC(O)(C)C)(O)C)O)C)C(C1=O)(C)C	0.06	0.0
Compound_529	CC(=O)OC(/C=C/C(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C=C(O)C(=O)C2(C)C)C)C)(O)C)(C)C	0.14	0.0
Compound_530	OC1=C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C(C1=O)(C)C	0.15	0.0
Compound_531	OC1=C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)CC(C(O)(C)C)O)(O)C)O)C)C(C1=O)(C)C	0.12	0.0
Compound_532	OC1=C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)CCC(O)(C)C)(O)C)O)C)C(C1=O)(C)C	0.07	0.0
Compound_533	O=C1C[C@H](O[C@H]2[C@H]([C@@H]1C)[C@@]1(C)CC(=O)[C@@]3([C@H]([C@@]1(C2)C)CC=C1[C@H]3C=C(O)C(=O)C1(C)C)C)C(O)(C)C	0.51	1.0
Compound_534	CC(=O)OC(CCC(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C=C(O)C(=O)C2(C)C)C)C)(O)C)(C)C	0.06	0.0
Compound_535	C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1CC[C@@H](C2(C)C)O)C)C)CCC(C(O)(C)C)O	0.06	0.0
Compound_536	C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1CC[C@@H](C2(C)C)O)C)C)CCC(=O)C(O)(C)C	0.1	0.0
Compound_537	O=C1C[C@]2(C)[C@H](CC[C@]2([C@H]2[C@]1(C)[C@@H]1CC[C@@H](C(C1=CC2)(C)C)O)C)[C@]1(C)CC[C@H](O1)C(O)(C)C	0.11	0.0
Compound_538	O[C@@H]1C[C@@]2([C@]([C@H]1[C@]1(C)CC[C@H](O1)C(O)(C)C)(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1CC[C@@H](C2(C)C)O)C)C	0.19	0.0
Compound_539	OC[C@H]1O[C@@H](O[C@H]2C[C@H]3[C@]4(C)C(=O)C[C@]5([C@@]([C@@H]4CC=C3C(C2=O)(C)C)(C)C[C@H]([C@@H]5[C@](C(=O)/C=C/C(OC(=O)C)(C)C)(O)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.32	0.0
Compound_540	OC[C@H]1O[C@@H](O[C@H]2C[C@H]3[C@]4(C)C(=O)C[C@]5([C@@]([C@@H]4CC=C3C(C2=O)(C)C)(C)C[C@H]([C@@H]5[C@](C(=O)CCC(OC(=O)C)(C)C)(O)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.07	0.0
Compound_541	OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)C[C@H]([C@@H]3[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C(C2=O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.32	0.0
Compound_542	OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)C[C@H](C3[C@](C(=O)CCC(O)(C)C)(O)C)O)C)C(C2=O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.07	0.0
Compound_543	OC[C@H]1O[C@@H](OC2=C[C@H]3[C@]4(C)C(=O)C[C@]5([C@@]([C@@H]4CC=C3C(C2=O)(C)C)(C)C[C@H]([C@@H]5[C@](C(=O)/C=C/C(OC(=O)C)(C)C)(O)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.32	0.0
Compound_544	OC[C@H]1O[C@@H](OC([C@@H](CC[C@H]([C@H]2CC[C@@]3([C@]2(C)CC(=O)[C@@]2([C@H]3CC=C3[C@H]2CC[C@@H](C3(C)C)O)C)C)C)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.19	0.0
Compound_545	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@@H](CC[C@H](C(O)(C)C)O)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.16	0.0
Compound_546	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@@H](CC[C@H](C(O)(C)C)O)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)OC(=O)C	0.06	0.0
Compound_547	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3[C@@]4(C2(C)C)O[C@H]4C[C@@H]2[C@@]3(C)C(=O)C[C@]3([C@@]2(C)CC[C@@H]3[C@@H](CC[C@H](C(O)(C)C)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.23	0.0
Compound_548	COc1cc2CCN([C@@H]3c2c(c1O)c1c(C3)ccc(c1OC)OC)C	0.1	0.0
Compound_549	OC[C@H]1O[C@@H](OC(C(CC([C@H]([C@H]2CC[C@@]3([C@]2(C)CC(=O)[C@@]2([C@H]3CC=C3[C@H]2CC[C@@H](C3(C)C)O)C)C)C)O)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.19	0.0
Compound_550	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@@H](CCC(=O)C(O)(C)C)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.1	0.0
Compound_551	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@@H](CCC(=O)C(O)(C)C)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.08	0.0
Compound_552	OC[C@H]1O[C@@H](OC2=C[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)C[C@H]([C@@H]3[C@](C(=O)CCC(O)(C)C)(O)C)O)C)C(C2=O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.07	0.0
Compound_553	OC[C@H]1O[C@@H](OC2=C[C@H]3[C@]4(C)C(=O)C[C@]5([C@@]([C@@H]4CC=C3C(C2=O)(C)C)(C)C[C@H]([C@@H]5[C@](C(=O)CCC(OC(=O)C)(C)C)(O)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.07	0.0
Compound_554	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@@H](CC[C@H](C(O)(C)C)O)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.19	0.0
Compound_555	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@]3(C)CC[C@H](O3)C(O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)(C)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.09	0.0
Compound_556	COc1cc2CCN[C@@H]3c2c(c1O)c1c(C3)ccc(c1OC)OC	0.12	0.0
Compound_557	O[C@@H]1COC(=O)C1=C	0.77	1.0
Compound_558	CN1Cc2c([C@@H]3[C@H]1c1cc4OCOc4cc1[C@H]([C@@H]3O)O)ccc1c2OCO1	0.08	0.0
Compound_559	C1Oc2c(O1)cc1c(c2)CCN2[C@@H]1Cc1ccc3c(c1C2)OCO3	0.23	0.0
Compound_560	OC1Cc2cc3OCOc3cc2[C@@H]2C1c1cc3OCOc3cc1CN2C	0.04	0.0
Compound_561	C1Oc2c(O1)cc1c(c2)CCN2[C@H]1Cc1ccc3c(c1C2)OCO3	0.23	0.0
Compound_562	C[N@+]12CCc3c([C@@H]2Cc2c(C1)c1OCOc1cc2)cc1c(c3)OCO1	0.42	0.0
Compound_563	COc1ccc2c(c1O)c1c3OCOc3cc3c1[C@H](C2)N(C)CC3	0.02	0.0
Compound_564	CN1CCc2c([C@H]1[C@@H]1OC(=O)c3c1ccc1c3OCO1)cc1c(c2)OCO1	0.23	0.0
Compound_565	COc1cc2CCN3[C@@H](c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC	0.01	0.0
Compound_566	O=C(OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)CCN(=O)=O)CCN(=O)=O	0.2	0.0
Compound_567	COc1cc2CCN3[C@@H](c2cc1OC)[C@@H](C)c1c(C3)c(OC)c(cc1)OC	0.02	0.0
Compound_568	CN1CCc2cc3OCOc3cc2C(=O)[C@@H](c2c(C1)c1OCOc1cc2)C	0.45	0.0
Compound_569	CN1CCc2c([C@@H]1[C@@H]1OC(=O)c3c1ccc1c3OCO1)cc1c(c2)OCO1	0.2	0.0
Compound_570	COc1c(OC)cc2c3c1c1cc4OCOc4cc1C[C@@H]3N(CC2)C	0.44	0.0
Compound_571	COc1cc2c(cc1OC)C[C@H]1c3c2c(OC)c(O)cc3CCN1C	0.11	0.0
Compound_572	COc1cc2c(cc1O)C[C@H]1c3c2c(O)c(OC)cc3CCN1C	0.06	0.0
Compound_573	COc1cc2CCN([C@]3(c2cc1O)C(=O)c1c([C@@H]3O)c2OCOc2cc1)C	0.13	0.0
Compound_574	COc1c(OC)ccc2c1CN(C)CCc1c(C(=O)[C@H]2C)cc2c(c1)OCO2	0.23	0.0
Compound_575	O=C(OC[C@H]1O[C@@H](OC(=O)CCN(=O)=O)[C@@H]([C@H]([C@@H]1O)O)O)CCN(=O)=O	0.18	0.0
Compound_576	COc1c(OC)ccc2c1CN1CCc3c([C@@H]1C2)cc1c(c3)OCO1	0.08	0.0
Compound_577	COc1c(OC)ccc2c1C(=O)O[C@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2	0.24	0.0
Compound_578	COc1cc2c(cc1OC)C[C@H]1c3c2c(OC)c(OC)cc3CCN1C	0.02	0.0
Compound_579	COc1cc2CCN([C@]3(c2cc1O)Cc1c(C3=O)c2OCOc2cc1)C	0.2	0.0
Compound_580	COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)OC	0.05	0.0
Compound_581	C[N+]1(C)[C@H]2Cc3c([C@@H]1Cc1c2cc2COCc2c1)cc1c(c3)OCO1	0.43	0.0
Compound_582	COc1cc2c(cc1OC)C[C@@H]1N([C@H]2Cc2c1cc1c(c2)OCO1)C	0.46	0.0
Compound_583	O=C(OC[C@H]1O[C@@H](OC(=O)CCN(=O)=O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)CCN(=O)=O)CCN(=O)=O	0.2	0.0
Compound_584	COc1cc2CCN([C@]3(c2cc1O)Cc1c([C@H]3O)c2OCOc2cc1)C	0.12	0.0
Compound_585	CN1CCc2c([C@@]31Cc1c(C3=O)c3OCOc3cc1)cc1c(c2)OCO1	0.25	0.0
Compound_586	COc1cc2c(cc1OC)CCN([C@@]12Cc2c([C@@H]1O)c1OCOc1cc2)C	0.07	0.0
Compound_587	OCCC[C@@H]1/C(=C(\C=O)/C)/CC[C@]([C@@]1(C)CC/C=C(/[C@@H](C/C=C(/CCC=C(C)C)\C)O)\C)(C)O	0.06	0.0
Compound_588	COc1ccc2c(c1O)c1c(OC)c(OC)cc3c1[C@H](C2)NCC3	0.12	0.0
Compound_589	COc1cc2c(cc1OC)C[C@H]1c3c2c2OCOc2cc3CCN1C	0.47	0.0
Compound_590	O[C@@H]1Cc2cc3OCOc3cc2c2c1c1ccc3c(c1cn2)OCO3	0.73	1.0
Compound_591	COc1cc2Oc3c(OC)ccc4c3[C@H](Cc2cc1OC)N(C)CC4	0.02	0.0
Compound_592	O=C(OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)OC(=O)CCN(=O)=O)OC(=O)CCN(=O)=O)CCN(=O)=O	0.34	0.0
Compound_593	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4O)cc2)C)cc(c1OC)O)C	0.06	0.0
Compound_594	COc1c(O)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@H]3N(CC2)C)ccc4O)cc1)C	0.06	0.0
Compound_595	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4O)cc2)C)cc(c1O)OC)C	0.03	0.0
Compound_596	COc1cc2CCN([C@@H]3c2cc1Oc1c2c(CCN([C@@H]2Cc2ccc(c(c2)Oc2ccc(C3)cc2)O)C)cc(c1O)OC)C	0.03	0.0
Compound_597	O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O	0.3	0.0
Compound_598	COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C	0.02	0.0
Compound_599	OCCC[C@@H]1/C(=C(\C=O)/C)/CC[C@]([C@@]1(C)CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)(C)O	0.06	0.0
Compound_600	COC1=CC=C2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O	0.03	0.0
Compound_601	O=N(=O)CCC(=O)O[C@@H]1O[C@H](COC(=O)CCN(=O)=O)[C@H]([C@@H]([C@H]1OC(=O)CCN(=O)=O)O)OC(=O)CCN(=O)=O	0.56	1.0
Compound_602	COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1c(OC)c1c(c2)OCO1	0.03	0.0
Compound_603	COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1c(O)c1c(c2)OCO1	0.25	0.0
Compound_604	CO[C@H]1O[C@@H]2c3cc4OCOc4cc3CCN([C@@H]2c2c1c1OCOc1cc2)C	0.08	0.0
Compound_605	CN1CCc2c([C@@H]3[C@H]1c1ccc4c(c1[C@H](O3)O)OCO4)cc1c(c2)OCO1	0.12	0.0
Compound_606	CO[C@H]1O[C@H]2c3cc4OCOc4cc3CCN([C@@H]2c2c1c1OCOc1cc2)C	0.08	0.0
Compound_607	COc1c(O)cc2c3c1c1ccccc1C[C@H]3N(CC2)C	0.07	0.0
Compound_608	CN1CCc2c3[C@H]1Cc1ccccc1c3c1c(c2)OCO1	0.67	1.0
Compound_609	COc1cc2CCN([C@H]3[C@H](c2cc1OC)O[C@H](OC)c1c3ccc(c1OC)OC)C	0.02	0.0
Compound_610	COc1cc2CCN(C3C(c2cc1OC)OC(O)c1c3ccc(c1OC)OC)C	0.02	0.0
Compound_611	COc1cc2C[C@@H]3N(C[C@H](c2cc1O)c1c3cc2c(c1)OCO2)C	0.06	0.0
Compound_612	COC1=CC=C2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC	0.04	0.0
Compound_613	CO[C@H]1O[C@H]2c3cc(O)c(cc3CCN[C@@H]2c2c1c1OCOc1cc2)OC	0.11	0.0
Compound_614	Oc1ccc(cc1)C[C@@H]1NCCc2c1cc(O)c(c2)O	0.03	0.0
Compound_615	COc1ccc(cc1O)C[C@H]1N(C)CCc2c1cc(OC)c(c2)OC	0.02	0.0
Compound_616	COc1cc(ccc1OC)C[C@@H]1N(C)CCc2c1cc(OC)c(c2)OC	0.01	0.0
Compound_617	COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)C4=CC[C@@H]1O)C	0.05	0.0
Compound_618	COC1=C[C@@]23CCN([C@@H](C2=CC1=O)Cc1c3c(O)c(cc1)OC)C	0.09	0.0
Compound_619	C[C@@H]1NCCc2c1cc(O)c(c2)O	0.03	0.0
Compound_620	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(OC)c(cc1CC3)O	0.09	0.0
Compound_621	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(O)c(cc1CC3)OC	0.06	0.0
Compound_622	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(O)c(cc1CC3)O	0.05	0.0
Compound_623	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc2OCOc2cc1CC3	0.17	0.0
Compound_624	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(OC)c(cc1CC3)OC	0.03	0.0
Compound_625	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(OC)c(cc1[C@H](C3)O)OC	0.03	0.0
Compound_626	CO[C@H]1CC=C2[C@]3(C1)N(CC2)CCc1c3cc2OCOc2c1	0.18	0.0
Compound_627	COc1cc2c(cc1O)CCN1[C@@]32C[C@@H](O)C=CC3=CC1	0.04	0.0
Compound_628	CO[C@H]1C=CC2=CCN3[C@]2(C1)C1=C(CC3)COC(=O)C1	0.05	0.0
Compound_629	CO[C@H]1C=CC2=CCN3[C@]2(C1)C1=CC(=O)OC[C@H]1CC3	0.07	0.0
Compound_630	CCC[C@H]1CCCCN1	0.26	0.0
Compound_631	CCC[C@H]1CCCCN1C	0.46	0.0
Compound_632	CC[C@H]([C@@H]1CCCCN1)O	0.06	0.0
Compound_633	CCC[C@H]1CC[C@@H](CN1)O	0.05	0.0
Compound_634	CCC[C@H]1CC[C@@H](CN1C)O	0.06	0.0
Compound_635	CC[C@@H]([C@@H]1CC=C[C@H]2N1CCCNCCCCNC(=O)C2)O	0.01	0.0
Compound_636	CC/C=C\C/C=C\[C@H]1NCCCNCCCCNC(=O)C1	0.17	0.0
Compound_637	COC1=C[C@@H](C)[C@H]2[C@@](C1=O)(C)[C@H]1C(=O)C(=C([C@H]3[C@@]1([C@@H](C2)OC(=O)C3)C)C)OC	0.28	0.0
Compound_638	O=CN1CCCN2[C@H](C=CC[C@H]2[C@H](CC)O)CC(=O)NCCCC1	0.01	0.0
Compound_639	CC[C@@H]([C@@H]1CC=C[C@H]2N1CCCN(CCCCNC(=O)C2)C(=O)C)O	0.01	0.0
Compound_640	CC/C=C\C/C=C\[C@H]1NCCCN(C=O)CCCCNC(=O)C1	0.05	0.0
Compound_641	CCC[C@@H]1CC=C[C@H]2N1CCCNCCCCNC(=O)C2	0.02	0.0
Compound_642	C/C=C/[C@H]1CCC[C@H](N1)C	0.07	0.0
Compound_643	C[C@H]1CCCCN1	0.3	0.0
Compound_644	O=C1C[C@H]2CCC[C@@](C1)(N2)C	0.02	0.0
Compound_645	C[C@@H]1CCC[C@@H](N1)CC(=O)C	0.04	0.0
Compound_646	C[C@H](C[C@H]1CCC[C@H](N1)C)O	0.02	0.0
Compound_647	CC(=O)N1CCCC(=C1)[C@H]1CCCCN1	0.09	0.0
Compound_648	OC(c1ccccc1)CC1CC=CC(N1C)CC(=O)C	0.01	0.0
Compound_649	O[C@H](c1ccccc1)C[C@@H]1CC=C[C@H](N1C)C[C@H](O)C	0.0	0.0
Compound_650	CN1CCCC[C@H]1C[C@@H](c1ccccc1)O	0.01	0.0
Compound_651	O[C@H](c1ccccc1)C[C@@H]1CCCCN1	0.01	0.0
Compound_652	O[C@@H](c1ccccc1)C[C@H]1CC[C@@H]2[C@H](N1C)C[C@](O2)(C)O	0.01	0.0
Compound_653	COc1ccc2c3c1O[C@@H]1[C@@]3(CCN(C2)C)C=C[C@@H](C1)O	0.0	0.0
Compound_654	C[C@@H](C[C@@H]1CCCCN1)O	0.05	0.0
Compound_655	O[C@H]1CC[C@H](N(C1)C)C[C@@H](c1ccccc1)O	0.0	0.0
Compound_656	OC(=O)[C@]12CC[C@@]3(C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@@]54CC[C@@](C3(C)C)(OC5)O)[C@@H]2CC(CC1)(C)C)C	0.06	0.0
Compound_657	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C	0.15	0.0
Compound_658	C/C=C(\C(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCC(=O)C1(C)C)C)C(=O)O)/C	0.15	0.0
Compound_659	O[C@H](c1ccccc1)C[C@@H]1CCC[C@@H](N1C)C[C@H](c1ccccc1)O	0.0	0.0
Compound_660	C[C@@H]1C[C@H]2CC3=C([C@@]4(C1)[C@@H]2CCCN4C)CCC(=O)N3	0.01	0.0
Compound_661	C[C@@H]1C[C@H]2Cc3c([C@@]4(C1)[C@@H]2CCCN4C)ccc(=O)[nH]3	0.01	0.0
Compound_662	C[C@@H]1C[C@H]2Cc3c([C@@]4(C1)[C@@H]2CCCN4)cccn3	0.01	0.0
Compound_663	O[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1O)c1cc2OCOc2cc1C3	0.05	0.0
Compound_664	C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@]42[C@](C1)(O)N(CCC3)CCC4	0.02	0.0
Compound_665	C[C@@H]1C[C@H]2CC(=O)[C@]34[C@]2(C(=O)C1)CCCN(C4)CCC3	0.02	0.0
Compound_666	CO[C@@H]1C=C[C@@]23[C@H](C1)N(C)C[C@@]3(O)OCc1c2cc2OCOc2c1	0.08	0.0
Compound_667	CN1CCC[C@H]1c1cccnc1	0.01	0.0
Compound_668	C1CN[C@@H](C1)c1cccnc1	0.04	0.0
Compound_669	C1CC[C@H](NC1)c1cccnc1	0.12	0.0
Compound_670	C1=CC[C@H](NC1)c1cccnc1	0.21	0.0
Compound_671	CN1CCCC[C@H]1c1cccnc1	0.02	0.0
Compound_672	CN1CC=CC[C@H]1c1cccnc1	0.01	0.0
Compound_673	COc1ccc2c3c1O[C@@H]1[C@@]3(CCN(C2)C)C=CC(=O)C1	0.04	0.0
Compound_674	O=C1CC[C@H](N1C)c1cccnc1	0.06	0.0
Compound_675	O[C@@H]1CN2[C@@H]([C@@H]1O)[C@H](O)CCC2	0.01	0.0
Compound_676	OC[C@H]1O[C@@H](Oc2c(N)[nH]c(nc2=O)N)[C@@H]([C@H]([C@@H]1O)O)O	0.01	0.0
Compound_677	OC[C@H]1O[C@@H](Oc2c(N)[nH]c(=O)[nH]c2=O)[C@@H]([C@H]([C@@H]1O)O)O	0.01	0.0
Compound_678	O=C(C[C@@H]1CCCN1C)C[C@H]1CCCN1C	0.15	0.0
Compound_679	CC(=O)C[C@H]1CCCN1C	0.05	0.0
Compound_680	CO[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1O)c1cc(OC)c(cc1C3)OC	0.04	0.0
Compound_681	C[C@H](C[C@H]1CCCN1C)O	0.01	0.0
Compound_682	CC(=O)C[C@H]1CCCN1	0.19	0.0
Compound_683	C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.03	0.0
Compound_684	C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.04	0.0
Compound_685	C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](OC1=O)CCN3CC2	0.04	0.0
Compound_686	C/C=C/1\CC(=C)[C@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.04	0.0
Compound_687	O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O	0.05	0.0
Compound_688	O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O	0.05	0.0
Compound_689	CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O	0.03	0.0
Compound_690	O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O	0.05	0.0
Compound_691	O[C@H]1C=C[C@]23[C@H](C1)N(C[C@@H]2O)Cc1c3cc2OCOc2c1	0.05	0.0
Compound_692	C=C/C/1=C/[C@@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CCN(CC[C@@H](OC1=O)C2=O)C	0.05	0.0
Compound_693	CC([C@@](C(=O)OCC1=CCN2[C@H]1CCC2)([C@@H](O)C)O)C	0.06	0.0
Compound_694	CC([C@@](C(=O)OCC1=CCN2[C@H]1CCC2)([C@H](O)C)O)C	0.06	0.0
Compound_695	CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O	0.03	0.0
Compound_696	O=C(/C=C/c1ccc(cc1)O)OC[C@@H]1CCN2[C@@H]1CCC2	0.42	0.0
Compound_697	C/C=C(\C(=O)O[C@H]1CCN2[C@H]1C(=CC2)COC(=O)[C@@](C(O)(C)C)([C@@H](OC(=O)C)C)O)/C	0.03	0.0
Compound_698	C/C=C(\C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@](C(O)(C)C)([C@@H](O)C)O)/C	0.04	0.0
Compound_699	O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O	0.05	0.0
Compound_700	CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C	0.02	0.0
Compound_701	CO[C@@H]1C=C[C@]23[C@H](C1)N(C[C@@H]2O)Cc1c3cc2OCOc2c1	0.05	0.0
Compound_702	CC([C@@](C(=O)OC[C@@H]1CCN2[C@H]1CCC2)([C@@H](O)C)O)C	0.01	0.0
Compound_703	C/C(=C/C)/C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)CO	0.02	0.0
Compound_704	CC([C@@](C(=O)OC[C@@H]1CCN2[C@H]1CCC2)([C@H](O)C)O)C	0.01	0.0
Compound_705	CC(=O)O[C@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)(C(C)C)O)C	0.03	0.0
Compound_706	C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@@H](O)C)O)/C	0.04	0.0
Compound_707	C/C=C(/C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C/C)/C)\C	0.05	0.0
Compound_708	C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1C=C(C2)COC(=O)[C@](C(O)(C)C)([C@@H](OC(=O)/C(=C\C)/C)C)O)/C	0.03	0.0
Compound_709	CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@@H](O)C)O	0.05	0.0
Compound_710	O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@H](O)C)O	0.08	0.0
Compound_711	CC(=CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)(C(O)C)O)C	0.05	0.0
Compound_712	CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)O)C	0.04	0.0
Compound_713	OCC1=CCN2[C@H]1[C@@H](O)CC2	0.03	0.0
Compound_714	CO[C@@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)(C(C)C)O)C	0.03	0.0
Compound_715	OCC1=CCN2[C@H]1CCC2	0.03	0.0
Compound_716	CO[C@@H]([C@@](C(=O)OCC1=CCN2[C@H]1CCC2)(C(C)C)O)C	0.04	0.0
Compound_717	O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@]([C@@H](O)C)(C(C)C)O	0.05	0.0
Compound_718	C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(CC[C@@H](OC1=O)C2=O)C	0.02	0.0
Compound_719	CN1CC[C@H]2OC(=O)[C@@]3(O[C@@H]3C)C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)O)C	0.04	0.0
Compound_720	CN1CC[C@H]2OC(=O)[C@@]3(O[C@@H]3C)C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C	0.11	0.0
Compound_721	C/C=C\1/C[C@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CCN(CC[C@H](OC1=O)C2=O)C	0.08	0.0
Compound_722	O=C(CC(O)(C)C)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@](C(O)(C)C)([C@@H](O)C)O	0.04	0.0
Compound_723	O=C(CC(O)(C)C)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@](C(O)(C)C)([C@@H](OC(=O)C)C)O	0.04	0.0
Compound_724	OC[C@H]1CCN2[C@@H]1CCC2	0.34	0.0
Compound_725	CCC(C(=O)N[C@H]1CCN2[C@@H]1CCC2)C	0.1	0.0
Compound_726	C/C=C(/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O)\C	0.03	0.0
Compound_727	C/C=C(/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O)\C	0.03	0.0
Compound_728	C/C=C(/C(=O)O[C@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)(C(C)C)O)C)\C	0.03	0.0
Compound_729	C/C=C(/C(=O)O[C@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)(C(C)C)O)C)\C	0.03	0.0
Compound_730	CN1CC[C@H]2OC(=O)[C@]3(O[C@H]3C)C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)O)C	0.04	0.0
Compound_731	C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.03	0.0
Compound_732	COc1ccc2c3c1O[C@@H]1[C@@]3(CCNC2)C=C[C@@H](C1)O	0.06	0.0
Compound_733	C/C=C\1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.03	0.0
Compound_734	C/C=C/1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.03	0.0
Compound_735	C/C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.03	0.0
Compound_736	COC(=O)[C@H]1[C@@H]2CCCN2C[C@@]1(C)O	0.01	0.0
Compound_737	O=C1/C=C(/C)\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](O1)CCN3CC2	0.05	0.0
Compound_738	O=C1/C=C(\C)/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](O1)CC3	0.03	0.0
Compound_739	CN1CC[C@H]2OC(=O)[C@](O)(C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C)[C@H](Cl)C	0.14	0.0
Compound_740	O=C1OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@@]2(C[C@H]([C@@]1(C)O)C)O[C@H]2C	0.03	0.0
Compound_741	O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@](C(=C)C[C@]21O[C@H]2C)(C)O	0.03	0.0
Compound_742	C/C=C\1/C[C@@]2(CO)O[C@@]2(C)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.02	0.0
Compound_743	COc1cc2[C@@H]3[C@@H](CC=C4[C@H]3N(C)CC4)OC(=O)c2cc1OC	0.04	0.0
Compound_744	C/C=C(\C(=O)OC[C@H]1[C@@H](O)CN2[C@@H]1CCC2)/C	0.02	0.0
Compound_745	CN1CC[C@H]2OC(=O)C(O)(C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C)C(O)C	0.03	0.0
Compound_746	C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)/C(=C\C)/CO)/C	0.02	0.0
Compound_747	C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C\C)/CO)/C	0.02	0.0
Compound_748	C=C1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@@H]([C@H]1C)C)(C)O	0.06	0.0
Compound_749	OCC1=CCN(C)CC[C@H](C1=O)O	0.03	0.0
Compound_750	C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O)/C	0.03	0.0
Compound_751	C/C=C(/C(=O)OCC([C@@H]([C@H](C(=O)OCC1=CCN2(=O)[C@H]1[C@H](O)CC2)C)O)C)\C	0.09	0.0
Compound_752	CN1CC[C@]23[C@]4([C@@H]1Nc1c3cccc1)CCN([C@H]2Nc1c4cccc1)C	0.01	0.0
Compound_753	O[C@@H]1CCN2C1=Nc1ccccc1C2	0.0	0.0
Compound_754	CO[C@@H]1C=C[C@]23[C@H](C1)N(C)C[C@@H]2O[C@H](c1c3cc2OCOc2c1)O	0.14	0.0
Compound_755	COc1ccc2c3c1O[C@@H]1[C@@]3(CCNC2)C=C[C@@H](C1)OC(=O)CC(O)C	0.05	0.0
Compound_756	COc1c2C[C@@H](Oc2[n+](c2c1cc(O)cc2)C)C(O)(C)C	0.55	1.0
Compound_757	CN1CC[C@]2([C@@H]1N(C)c1c2cccc1)[C@]12CCN([C@H]1N(c1c2cccc1)C)C	0.01	0.0
Compound_758	C1CC[C@@H]2N(C1)C[C@@H]1C[C@H]2CN2[C@@H]1CCCC2	0.07	0.0
Compound_759	C1CC[C@@H]2N(C1)C[C@H]1C[C@@H]2CN2[C@@H]1CCCC2	0.07	0.0
Compound_760	O=C1[C@@H]2C[C@H]([C@H]3N1CCCC3)CN1[C@@H]2CCCC1	0.02	0.0
Compound_761	C/C=C/C=C/C(=O)O	0.88	1.0
Compound_762	CN1CCC2=C[C@@H]([C@@H]3[C@H]([C@H]12)c1cc2OCOc2cc1C(=O)O3)O	0.07	0.0
Compound_763	C1CC[C@@H]2N(C1)C[C@@H]1C[C@H]2CN2C1=CCCC2	0.02	0.0
Compound_764	C1CC[C@H]2N(C1)C[C@@H]1C[C@H]2CN2[C@@H]1CCCC2	0.07	0.0
Compound_765	O=C1[C@@H]2C[C@H]([C@@H]3N1CCCC3)C(=O)N1[C@H]2CCCC1	0.02	0.0
Compound_766	O[C@H]1CCN2[C@H](C1)[C@@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2	0.0	0.0
Compound_767	O=C1CCC[C@H]2N1C[C@@H]1C[C@H]2CN2[C@H]1CCCC2	0.03	0.0
Compound_768	O=C1CCC=C2N1C[C@@H]1C[C@@H]2CN2[C@H]1CCCC2	0.01	0.0
Compound_769	O=C1CCC[C@H]2N1C[C@@H]1C[C@H]2CN2[C@@H]1CCCC2	0.03	0.0
Compound_770	O=C1[C@@H]2C[C@@H]([C@@H]3N1CCCC3)CN1[C@H]2CCCC1	0.02	0.0
Compound_771	O[C@H]1CCN2[C@@H](C1)[C@@H]1C[C@@H](C2)[C@@H]2N(C1)C(=O)CCC2	0.01	0.0
Compound_772	O=C1CCC[C@H]2N1C[C@@H]1C[C@H]2C(=O)N2[C@H]1CCCC2	0.04	0.0
Compound_773	COc1ccc2c3c1O[C@H]1[C@]3(CCNC2)C=CC(C1)OC(=O)CC(OC(=O)C)C	0.16	0.0
Compound_774	O=C1C=CN2[C@H](C1)[C@H]1C[C@@H](C2)[C@H]2N(C1)CCCC2	0.02	0.0
Compound_775	O[C@H]1CCN2[C@@H](C1)[C@H]1C[C@@H](C2)[C@@H]2N(C1)C(=O)[C@H](CC2)O	0.01	0.0
Compound_776	O[C@H]1CCCN2[C@H]1[C@@H]1C[C@@H](C2)[C@H]2N(C1)CCCC2	0.01	0.0
Compound_777	C=CCCN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1	0.01	0.0
Compound_778	C=CCCN1C[C@H]2C[C@@H](C1)[C@@H]1N(C2)C(=O)CCC1	0.01	0.0
Compound_779	C=CC[C@@H]1NC[C@@H]2C[C@H]1CN1[C@@H]2CCCC1=O	0.04	0.0
Compound_780	O=c1cccc2n1C[C@H]1C[C@@H]2CN2[C@@H]1CCCC2	0.02	0.0
Compound_781	O=c1cccc2n1C[C@@H]1CNC[C@H]2C1	0.0	0.0
Compound_782	CN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1	0.01	0.0
Compound_783	Oc1ccc2n(c1=O)C[C@H]1C[C@@H]2NC1	0.0	0.0
Compound_784	CC(=O)O[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1O)c1cc2OCOc2cc1C3	0.16	0.0
Compound_785	OC[C@@H]1CCCN2[C@@H]1CCCC2	0.08	0.0
Compound_786	C=CC[C@H]1NC[C@H]2C[C@@H]1[C@H]1CC(=O)C=CN1C2	0.01	0.0
Compound_787	O=CN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1	0.01	0.0
Compound_788	O=c1cccc2n1C[C@H]1C[C@H]2CN2[C@H]1CCCC2	0.02	0.0
Compound_789	C=CC[C@H]1N(C)C[C@@H]2C[C@@H]1Cn1c2cccc1=O	0.01	0.0
Compound_790	O=C1CCC[C@H]2N1C[C@@H]1CCCN3[C@@H]1[C@@H]2CCC3	0.03	0.0
Compound_791	O=C1C=CC[C@H]2N1C[C@@H]1CCCN3[C@@H]1[C@@H]2CCC3	0.02	0.0
Compound_792	C/C=C/1\[C@H]2C=C(C[C@]1(N)c1c(C2)[nH]c(=O)cc1)C	0.01	0.0
Compound_793	CC1=C[C@H]2Cc3c([C@@]4(C1)[C@@H]2CCCN4)ccc(=O)[nH]3	0.01	0.0
Compound_794	CC1C[C@@]2(O)CC(=O)[C@@H]3[C@@]4(C1)C2=CCCN4CCC3	0.02	0.0
Compound_795	O[C@H]1C=C[C@@]23[C@@H](C1)N(CC2)Cc1c3cc2OCOc2c1	0.08	0.0
Compound_796	CC1=C[C@H]2C[C@H]([C@@H]3[C@@]4(C1)[C@@H]2CCCN4CCC3)O	0.04	0.0
Compound_797	C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@@]4(C1)[C@@H]2CCCN4CCC3	0.07	0.0
Compound_798	C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@@]4(C1)[C@]2(O)CCCN4CCC3	0.01	0.0
Compound_799	C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@@]4(C1)[C@@]2(O)CCCN4CCC3	0.01	0.0
Compound_800	O[C@@H]1C[C@@H]2C(=O)[C@@H](C[C@]34[C@@H]1CCCN4CCC=C23)C	0.03	0.0