rxn_id	source	rxn_type	rxn_name	rxn_tech	temperature_deg_c	time_h	atmosphere	scale_umol	concentration_mmol_l	mixing	startingmat_1_cas	startingmat_1_smiles	startingmat_1_eq	startingmat_2_cas	startingmat_2_smiles	startingmat_2_eq	reagent_1_cas	reagent_1_smiles	reagent_1_eq	catalyst_1_cas	catalyst_1_smiles	catalyst_1_eq	additive_1_cas	additive_1_smiles	additive_1_eq	solvent_1_cas	solvent_1_smiles	solvent_1_fraction	solvent_2_cas	solvent_2_smiles	solvent_2_fraction	product_mono	product_di	product_non	binary
eln046486-034_1_1_a1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	89364-31-8	O=C(O)C1COCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.41	0	0.58	1
eln046486-034_1_1_a2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	3721-95-7	O=C(O)C1CCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.62	0	0.39	1
eln046486-034_1_1_a3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	114012-41-8	O=C(O)C1COC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.2	0	0.8	1
eln046486-034_1_1_a4	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	24537-50-6	O=C1NCCC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0	1	0
eln046486-034_1_1_a5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	98-89-5	O=C(O)C1CCCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.52	0	0.48	1
eln046486-034_1_1_a6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	4771-80-6	O=C(O)C1CC=CCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.05	0	0.95	0
eln046486-034_1_1_b1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	3400-45-1	O=C(O)C1CCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.35	0	0.66	1
eln046486-034_1_1_b2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	75-98-9	O=C(O)C(C)(C)C	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.61	0	0.4	1
eln046486-034_1_1_b3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	224584-18-3	O=C(O)C12CC(C1)(C2)C(F)(F)F	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.54	0	0.46	1
eln046486-034_1_1_b5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	122665-97-8	O=C(O)C1CCC(F)(F)CC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.58	0	0.4	1
eln046486-034_1_1_b6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	79-09-4	O=C(O)CC	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.27	0.03	0.72	1
eln046486-034_1_1_c1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	93-40-3	O=C(O)CC1=CC=C(OC)C(OC)=C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.05	0	0.94	0
eln046486-034_1_1_c2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	16874-33-2	O=C(O)C1OCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.62	0	0.38	1
eln046486-034_1_1_c3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	53293-00-8	O=C(O)CCCC#C	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.08	0	0.92	1
eln046486-034_1_1_c4	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	84358-13-4	O=C(OC(C)(C)C)N1CCC(C(=O)O)CC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.31	0.25	0.44	1
eln046486-034_1_1_c5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	84358-12-3	O=C(OC(C)(C)C)N1CCCC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.31	0.69	1
eln046486-034_1_1_c6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	59378-75-5	O=C(OC(C)(C)C)N1CCC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.57	0.42	1
eln046486-034_1_1_d1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	142253-55-2	O=C(OC(C)(C)C)N1CC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.35	0.67	1
eln046486-034_1_1_d2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	51673-83-7	O=C(O)C1OCCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.3	0	0.7	1
eln046486-034_1_1_d3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	30379-55-6	O=C(O)COCC=1C=CC=CC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0	1	0
eln046486-034_1_1_d4	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	5337-03-1	O=C(O)C1CCOCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.54	0	0.46	1
eln046486-034_1_1_d5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	59433-50-0	O=C(OC(C)(C)C)N1CCCC1C(=O)O	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.13	0.18	0.68	1
eln046486-034_1_1_d6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	58-08-2	O=C1C2=C(N=CN2C)N(C(=O)N1C)C	1	873397-34-3	O=C(O)C1COCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.31	0	0.69	1
eln046486-035_1_1_a1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	89364-31-8	O=C(O)C1COCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.13	0.86	1
eln046486-035_1_1_a2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	3721-95-7	O=C(O)C1CCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0	1	0
eln046486-035_1_1_a3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	114012-41-8	O=C(O)C1COC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0	1	0
eln046486-035_1_1_a4	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	24537-50-6	O=C1NCCC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0	1	0
eln046486-035_1_1_a5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	98-89-5	O=C(O)C1CCCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.77	0.21	1
eln046486-035_1_1_a6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	4771-80-6	O=C(O)C1CC=CCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.5	0.08	0.4	1
eln046486-035_1_1_b1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	3400-45-1	O=C(O)C1CCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.2	0.69	0.11	1
eln046486-035_1_1_b2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	75-98-9	O=C(O)C(C)(C)C	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.09	0.59	0.29	1
eln046486-035_1_1_b3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	224584-18-3	O=C(O)C12CC(C1)(C2)C(F)(F)F	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.38	0.11	0.52	1
eln046486-035_1_1_b5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	122665-97-8	O=C(O)C1CCC(F)(F)CC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.21	0.05	0.74	1
eln046486-035_1_1_b6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	79-09-4	O=C(O)CC	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.33	0.43	0.26	1
eln046486-035_1_1_c1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	93-40-3	O=C(O)CC1=CC=C(OC)C(OC)=C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.1	0.08	0.78	1
eln046486-035_1_1_c2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	16874-33-2	O=C(O)C1OCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.84	0.15	1
eln046486-035_1_1_c3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	53293-00-8	O=C(O)CCCC#C	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.29	0	0.7	1
eln046486-035_1_1_c4	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	84358-13-4	O=C(OC(C)(C)C)N1CCC(C(=O)O)CC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.01	1	0
eln046486-035_1_1_c5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	84358-12-3	O=C(OC(C)(C)C)N1CCCC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.24	0.75	1
eln046486-035_1_1_c6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	59378-75-5	O=C(OC(C)(C)C)N1CCC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.2	0.8	1
eln046486-035_1_1_d1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	142253-55-2	O=C(OC(C)(C)C)N1CC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.16	0.84	1
eln046486-035_1_1_d2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	51673-83-7	O=C(O)C1OCCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.91	0.09	1
eln046486-035_1_1_d3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	30379-55-6	O=C(O)COCC=1C=CC=CC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.19	0.79	1
eln046486-035_1_1_d4	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	5337-03-1	O=C(O)C1CCOCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.03	0.81	0.15	1
eln046486-035_1_1_d5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	59433-50-0	O=C(OC(C)(C)C)N1CCCC1C(=O)O	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.42	0.58	1
eln046486-035_1_1_d6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	484-11-7	N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C	1	873397-34-3	O=C(O)C1COCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.07	0.63	0.32	1
eln046486-037_1_1_a1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	89364-31-8	O=C(O)C1COCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.87	0.02	0.11	1
eln046486-037_1_1_a2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	3721-95-7	O=C(O)C1CCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0	1	0
eln046486-037_1_1_a3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	114012-41-8	O=C(O)C1COC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0	1	0
eln046486-037_1_1_a4	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	24537-50-6	O=C1NCCC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.76	0	0.24	1
eln046486-037_1_1_a5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	98-89-5	O=C(O)C1CCCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.54	0	0.46	1
eln046486-037_1_1_a6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	4771-80-6	O=C(O)C1CC=CCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.13	0	0.87	1
eln046486-037_1_1_b1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	3400-45-1	O=C(O)C1CCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.6	0	0.4	1
eln046486-037_1_1_b2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	75-98-9	O=C(O)C(C)(C)C	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.74	0	0.25	1
eln046486-037_1_1_b3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	224584-18-3	O=C(O)C12CC(C1)(C2)C(F)(F)F	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0	1	0
eln046486-037_1_1_b5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	122665-97-8	O=C(O)C1CCC(F)(F)CC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.6	0	0.4	1
eln046486-037_1_1_b6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	79-09-4	O=C(O)CC	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.14	0	0.87	1
eln046486-037_1_1_c1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	93-40-3	O=C(O)CC1=CC=C(OC)C(OC)=C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.16	0.82	1
eln046486-037_1_1_c2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	16874-33-2	O=C(O)C1OCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.04	0.09	0.86	1
eln046486-037_1_1_c3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	53293-00-8	O=C(O)CCCC#C	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.37	0	0.63	1
eln046486-037_1_1_c4	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	84358-13-4	O=C(OC(C)(C)C)N1CCC(C(=O)O)CC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0	1	0
eln046486-037_1_1_c5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	84358-12-3	O=C(OC(C)(C)C)N1CCCC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.01	0.98	0
eln046486-037_1_1_c6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	59378-75-5	O=C(OC(C)(C)C)N1CCC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.1	0.92	1
eln046486-037_1_1_d1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	142253-55-2	O=C(OC(C)(C)C)N1CC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.17	0	0.84	1
eln046486-037_1_1_d2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	51673-83-7	O=C(O)C1OCCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.19	0.02	0.79	1
eln046486-037_1_1_d3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	30379-55-6	O=C(O)COCC=1C=CC=CC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.02	0	0.98	0
eln046486-037_1_1_d4	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	5337-03-1	O=C(O)C1CCOCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.77	0.1	0.13	1
eln046486-037_1_1_d5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	59433-50-0	O=C(OC(C)(C)C)N1CCCC1C(=O)O	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.32	0.09	0.59	1
eln046486-037_1_1_d6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	83-72-7	O=C1C=C(O)C(=O)C=2C=CC=CC12	1	873397-34-3	O=C(O)C1COCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.5	0.29	0.21	1
eln046486-038_1_1_a1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	89364-31-8	O=C(O)C1COCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.77	0.15	0.08	1
eln046486-038_1_1_a2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	3721-95-7	O=C(O)C1CCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.66	0.31	0.04	1
eln046486-038_1_1_a3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	114012-41-8	O=C(O)C1COC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.21	0	0.79	1
eln046486-038_1_1_a4	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	24537-50-6	O=C1NCCC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0	1	0
eln046486-038_1_1_a5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	98-89-5	O=C(O)C1CCCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.66	0.19	0.15	1
eln046486-038_1_1_a6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	4771-80-6	O=C(O)C1CC=CCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.18	0	0.83	1
eln046486-038_1_1_b1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	3400-45-1	O=C(O)C1CCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.62	0.09	0.29	1
eln046486-038_1_1_b2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	75-98-9	O=C(O)C(C)(C)C	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.37	0.46	0.16	1
eln046486-038_1_1_b3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	224584-18-3	O=C(O)C12CC(C1)(C2)C(F)(F)F	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.38	0	0.62	1
eln046486-038_1_1_b5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	122665-97-8	O=C(O)C1CCC(F)(F)CC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.21	0.13	0.65	1
eln046486-038_1_1_b6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	79-09-4	O=C(O)CC	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.47	0.14	0.39	1
eln046486-038_1_1_c1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	93-40-3	O=C(O)CC1=CC=C(OC)C(OC)=C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.04	0.07	0.87	1
eln046486-038_1_1_c2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	16874-33-2	O=C(O)C1OCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.71	0.23	0.05	1
eln046486-038_1_1_c3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	53293-00-8	O=C(O)CCCC#C	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.14	0	0.86	1
eln046486-038_1_1_c4	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	84358-13-4	O=C(OC(C)(C)C)N1CCC(C(=O)O)CC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.05	0.02	0.92	0
eln046486-038_1_1_c5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	84358-12-3	O=C(OC(C)(C)C)N1CCCC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.04	0.95	0
eln046486-038_1_1_c6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	59378-75-5	O=C(OC(C)(C)C)N1CCC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.32	0.68	1
eln046486-038_1_1_d1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	142253-55-2	O=C(OC(C)(C)C)N1CC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.32	0.71	1
eln046486-038_1_1_d2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	51673-83-7	O=C(O)C1OCCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.78	0.16	0.07	1
eln046486-038_1_1_d3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	30379-55-6	O=C(O)COCC=1C=CC=CC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.02	0.17	0.81	1
eln046486-038_1_1_d4	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	5337-03-1	O=C(O)C1CCOCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.5	0.48	0	1
eln046486-038_1_1_d5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	59433-50-0	O=C(OC(C)(C)C)N1CCCC1C(=O)O	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.15	0.86	1
eln046486-038_1_1_d6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	1128-61-6	FC=1C=CC=2N=C(C=CC2C1)C	1	873397-34-3	O=C(O)C1COCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.54	0.07	0.39	1
eln046486-039_1_1_a1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	89364-31-8	O=C(O)C1COCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.43	0.59	1
eln046486-039_1_1_a2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	3721-95-7	O=C(O)C1CCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0	1	0
eln046486-039_1_1_a3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	114012-41-8	O=C(O)C1COC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.32	0	0.68	1
eln046486-039_1_1_a4	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	24537-50-6	O=C1NCCC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.38	0.01	0.62	1
eln046486-039_1_1_a5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	98-89-5	O=C(O)C1CCCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.11	0	0.89	1
eln046486-039_1_1_a6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	4771-80-6	O=C(O)C1CC=CCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0	1	0
eln046486-039_1_1_b1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	3400-45-1	O=C(O)C1CCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.15	0.74	0.1	1
eln046486-039_1_1_b2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	75-98-9	O=C(O)C(C)(C)C	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0	1	0
eln046486-039_1_1_b3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	224584-18-3	O=C(O)C12CC(C1)(C2)C(F)(F)F	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0	1	0
eln046486-039_1_1_b5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	122665-97-8	O=C(O)C1CCC(F)(F)CC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.04	0.96	0
eln046486-039_1_1_b6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	79-09-4	O=C(O)CC	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.17	0.82	1
eln046486-039_1_1_c1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	93-40-3	O=C(O)CC1=CC=C(OC)C(OC)=C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0	1	0
eln046486-039_1_1_c2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	16874-33-2	O=C(O)C1OCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.5	0.12	0.39	1
eln046486-039_1_1_c3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	53293-00-8	O=C(O)CCCC#C	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0	1	0
eln046486-039_1_1_c4	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	84358-13-4	O=C(OC(C)(C)C)N1CCC(C(=O)O)CC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.1	0.9	1
eln046486-039_1_1_c5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	84358-12-3	O=C(OC(C)(C)C)N1CCCC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.08	0.92	1
eln046486-039_1_1_c6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	59378-75-5	O=C(OC(C)(C)C)N1CCC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.17	0.06	0.77	1
eln046486-039_1_1_d1	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	142253-55-2	O=C(OC(C)(C)C)N1CC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.34	0.65	1
eln046486-039_1_1_d2	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	51673-83-7	O=C(O)C1OCCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.14	0.17	0.7	1
eln046486-039_1_1_d3	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	30379-55-6	O=C(O)COCC=1C=CC=CC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.03	0	0.97	0
eln046486-039_1_1_d4	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	5337-03-1	O=C(O)C1CCOCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.84	0	0.16	1
eln046486-039_1_1_d5	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	59433-50-0	O=C(OC(C)(C)C)N1CCCC1C(=O)O	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0.22	0.24	0.54	1
eln046486-039_1_1_d6	in_house	alkylation	minisci	hte_screening	40	18	n2	0.5	16	st_400	130-15-4	O=C1C=CC(=O)C=2C=CC=CC12	1	873397-34-3	O=C(O)C1COCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	""	""	0	""	""	0	67-68-5	O=S(C)C	0.96774	7732-18-5	O	0.03226	0	0.86	0.13	1