smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@@H](CC(C)(C)C)[C@H](CC[C@@H](C)CC(C)(C)C)CS(=O)(=O)Cl	104230808	BYXWNIKZQNBQEI-OWCLPIDISA-N	353.012	6.096	70	50	FKIA	
CCCCCCCCCCCCCCCCCC[Si](C)(Cl)Cl	170159689	GYWBHBXGYTYXRG-UHFFFAOYSA-N	367.521	8.798	70	50	FKIA	
CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl	100025870	VDRWNKIQBYUKGD-UHFFFAOYSA-N	353.012	6.817	70	50	FKIA	
CCCC[B-]1(CCCC)N(c2ccccc2)C(=S)Nc2cccc[n+]21	195774016	UIKRQZISWMCSRG-UHFFFAOYSA-N	353.344	5.082	70	50	FKIA	
COc1ccc(-c2coc3ccc(OC/C=C/c4ccccc4)cc23)cc1	217855253	ARWRQEPFYJJFRH-VMPITWQZSA-N	356.421	6.201	70	50	FKIA	biogenic
O=C(c1ccc(-c2cccc(F)c2)nc1)N1CCC[C@@H]1c1ccc(F)cc1	218145403	IPVKEMXVUWSTAB-OAQYLSRUSA-N	364.395	5.004	70	50	FKIA	
Clc1ccccc1CC[SiH](Cc1ccccc1)Cc1ccccc1	169817666	BCMPTLIVBDFZCL-UHFFFAOYSA-N	350.965	5.673	70	50	FKIA	
CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(S(=O)(=O)Cl)cc21	199701883	CGXNRHIOGIMWBE-UHFFFAOYSA-N	372.006	5.592	70	50	FKIA	
O=C(c1ccc(-c2cccc(F)c2)nc1)N1CCC[C@H]1c1ccc(F)cc1	218145472	IPVKEMXVUWSTAB-NRFANRHFSA-N	364.395	5.004	70	50	FKIA	
Brc1ccc(N=C=Nc2ccc(Br)cc2)cc1	139627974	PIMZILIECAOPJI-UHFFFAOYSA-N	352.029	5.349	70	50	FKIA	
C[C@@H]1[C@@H](B(Br)[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)C[C@H]2C[C@@H]1C2(C)C	170155492	FKBAVEASVZAXFW-NAVXHOJHSA-N	365.208	6.517	70	50	FKIA	
CCCCOc1ccc(C(C)(C)CC(C)(C)C)cc1S(=O)(=O)Cl	101022696	ALVCNVAIQNSHRD-UHFFFAOYSA-N	360.947	5.507	70	50	FKIA	
Cl[Si](Cl)(Cl)CCCCCC[Si](Cl)(Cl)Cl	169875838	ICJGKYTXBRDUMV-UHFFFAOYSA-N	353.052	5.857	70	50	FKIA	
C[C@@H](CC(C)(C)C)[C@@H](CC[C@@H](C)CC(C)(C)C)CS(=O)(=O)Cl	104230798	BYXWNIKZQNBQEI-PMPSAXMXSA-N	353.012	6.096	70	50	FKIA	
CC[Si](CC)(CC)[SiH]([Si](CC)(CC)CC)[Si](CC)(CC)CC	170170561	WNGZMQFMMHZKBG-UHFFFAOYSA-N	374.910	6.974	70	50	FKIA	
C[C@H]1[C@@H](B(Br)[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)C[C@H]2C[C@@H]1C2(C)C	170155494	FKBAVEASVZAXFW-GGMNAPOESA-N	365.208	6.517	70	50	FKIA	
C[C@H](CC[C@H](CS(=O)(=O)Cl)[C@H](C)CC(C)(C)C)CC(C)(C)C	101016727	BYXWNIKZQNBQEI-BZUAXINKSA-N	353.012	6.096	70	50	FKIA	
CC(C)c1cccc(C(C)C)c1N=C=Nc1c(C(C)C)cccc1C(C)C	8637108	XLDBGFGREOMWSL-UHFFFAOYSA-N	362.561	8.317	70	50	FKIA	in-vitro
CC(C)[SiH](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(C)C	169794834	HLHROOLJMZEEDN-UHFFFAOYSA-N	362.352	5.892	70	50	FKIA	
C=CC[SiH](CCCCCCCCCC)CCCCCCCCCC	169818529	QIXBNCJIAITIBB-UHFFFAOYSA-N	352.723	8.681	70	50	FKIA	
CCCCCCCC[SiH](CCCCCCCC)CCCCCCCC	169743523	JBAALNCKQCMFDH-UHFFFAOYSA-N	368.766	9.295	70	50	FKIA	
C[C@H](CC[C@@H](CS(=O)(=O)Cl)[C@H](C)CC(C)(C)C)CC(C)(C)C	101016735	BYXWNIKZQNBQEI-OAGGEKHMSA-N	353.012	6.096	70	50	FKIA	
CCCCN(CCCC)c1cccc2c(S(=O)(=O)Cl)cccc12	95698217	PIZHBGYIKYGXBV-UHFFFAOYSA-N	353.915	5.174	70	50	FKIA	in-vitro
C[Si](Cl)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169806141	SNVXETNSVRUKHB-UHFFFAOYSA-N	361.107	5.394	70	50	FKIA	in-vitro
Cc1nc(Cl)sc1C(=O)NCCC(c1ccccc1)c1ccccc1	218432367	UNPSLRVUYZBYAU-UHFFFAOYSA-N	370.905	5.057	70	50	FKIA