eln_id	plate_no	ipc_no	well	temperature_degC	time_h	atmosphere	scale_mol	concentration_moll	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	solvent_1_cas	solvent_1_smiles	solvent_1_fraction	solvent_2_cas	solvent_2_smiles	solvent_2_fraction
eln044720-049	1	1	b2	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	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	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	d4	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	1	5337-03-1	O=C(O)C1CCOCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	d6	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	1	873397-34-3	O=C(O)C1COCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	a4	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	1	24537-50-6	O=C1NCCC(C(=O)O)C1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	d3	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	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	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	c5	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	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	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	c3	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	1	53293-00-8	O=C(O)CCCC#C	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	c2	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	1	16874-33-2	O=C(O)C1OCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	b5	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	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	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	a6	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	1	4771-80-6	O=C(O)C1CC=CCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	d2	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	1	51673-83-7	O=C(O)C1OCCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	b6	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	1	79-09-4	O=C(O)CC	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	a3	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	1	114012-41-8	O=C(O)C1COC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	c4	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	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	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	a5	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	1	98-89-5	O=C(O)C1CCCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	c6	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	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	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	a2	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	1	3721-95-7	O=C(O)C1CCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	b1	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	1	3400-45-1	O=C(O)C1CCCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	a1	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	1	89364-31-8	O=C(O)C1COCC1	20	7727-54-0	O=S(=O)(O)OOS(=O)(=O)O.N	6	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	c1	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	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	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	d1	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	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	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	b3	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	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	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355
eln044720-049	1	1	d5	40	18	n2	0.000000500	0.016	st_400	685112-46-3	O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3	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	7732-18-5	O	0.03225806452	67-68-5	O=S(C)C	0.9677419355