smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COC(=O)C1=C[C@@H](OS(C)(=O)=O)[C@@H](NC(C)=O)[C@@H]2OC(C)(C)O[C@H]12	2265351900	MSMAUOFJNKAHQX-KKOKHZNYSA-N	363.388	-0.531	30	30	FBEC	
CC(=O)N[C@H]1/C(=N\O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	100053066	QHLGKFLFCWDLOA-RWMKSRPCSA-N	360.319	-0.896	30	30	FBEC	
CC(=O)N[C@H]1C(=NOC(=O)Nc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O	261151619	PBLNJFVQMUMOJY-FDYHWXHSSA-N	353.331	-0.834	30	30	FBEC	
CC(=O)OC[C@H]1O[C@@H](n2cnc(C#N)n2)[C@@H](OC(C)=O)[C@H]1OC(C)=O	39649822	IXMTWJNGXZIMAL-VZZFWQQMSA-N	352.303	-0.526	30	30	FBEC	in-vitro
C=CCOC[C@@H]1O[C@@H](C(OC)OC)[C@H](O)[C@H]1n1cc(C)c(O)nc1=O	585138913	AJMLPNBBVZBGFK-WUHRBBMRSA-N	356.375	-0.252	30	30	FBEC	
CC(=O)OC[C@H]1O[C@@H](n2cnc(C#N)c2N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	34164442	KWUWYLFGHOSANL-GUIRCDHDSA-N	366.330	-0.339	30	30	FBEC	in-vitro
CC(=O)OC[C@H]1O[C@@H](n2cnc(C#N)n2)[C@H](OC(C)=O)[C@H]1OC(C)=O	204918517	IXMTWJNGXZIMAL-YXCITZCRSA-N	352.303	-0.526	30	30	FBEC	in-vitro
COC(=O)C1=C[C@H](OS(C)(=O)=O)[C@@H](NC(C)=O)[C@@H]2OC(C)(C)O[C@H]12	2265351901	MSMAUOFJNKAHQX-QCNOEVLYSA-N	363.388	-0.531	30	30	FBEC	
CC(=O)OC[C@H]1O[C@@H](n2cnc(C#N)c2N)[C@H](OC(C)=O)[C@H]1OC(C)=O	90568413	KWUWYLFGHOSANL-QVHKTLOISA-N	366.330	-0.339	30	30	FBEC	in-vitro
CC(=O)N[C@H]1[C@@H](S)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	39037975	NABDIVBRJQHAOY-DHGKCCLASA-N	363.388	-0.428	30	30	FBEC	
CN1C(=O)/C(=C\NCc2ccccc2)C(=O)c2c1n(C)c(=O)n(C)c2=O	100293017	YFOVFGQYRJWYPL-BENRWUELSA-N	354.366	-0.083	30	30	FBEC	
CC(=O)OC[C@H]1O[C@@H](n2cnc(C#N)c2N)[C@@H](OC(C)=O)[C@H]1OC(C)=O	34164440	KWUWYLFGHOSANL-UKTARXLSSA-N	366.330	-0.339	30	30	FBEC	in-vitro
CC(=O)OC[C@H]1O[C@@H](n2cnc(C#N)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	39649824	IXMTWJNGXZIMAL-RUZUBIRVSA-N	352.303	-0.526	30	30	FBEC	in-vitro
CN1C(=O)/C(=C\NCc2cccnc2)C(=O)c2c1n(C)c(=O)n(C)c2=O	1044353	SYUPIXUGODKKNP-LUAWRHEFSA-N	355.354	-0.688	30	30	FBEC	
CC(=O)OC[C@H]1O[C@@H](n2cnc(C#N)c2N)[C@H](OC(C)=O)[C@@H]1OC(C)=O	34164444	KWUWYLFGHOSANL-RGCMKSIDSA-N	366.330	-0.339	30	30	FBEC	in-vitro
C=C(CC(=O)OCCCS(=O)(=O)O)C(=O)OCCCS(=O)(=O)O	25723477	BYLRZCIZXYKLQL-UHFFFAOYSA-N	374.389	-0.425	30	30	FBEC	
CONc1nc(/N=C/N(C)C)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	95908375	YADAJUFWZGPTNE-ZJBPOAJDSA-N	351.367	-0.338	30	30	FBEC	
COC(=O)[C@H](CCC(=O)N[C@@H](CS)C(=O)OC)NC(=O)C(F)(F)F	4352770	PFXPTRCYPGFZAZ-BQBZGAKWSA-N	374.337	-0.426	30	30	FBEC