smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1OC(C)=O)C(=O)c1c(O)ccc(O)c1C3=O	205077266	FKMONJWTOKSCPP-FGZHOGPDSA-N	428.393	1.976	10	30	IDCC	
CCn1c(O)c(/N=N/c2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c(C)c(C#N)c1=O	238790259	GUSVOAPXYDAHPH-ISLYRVAYSA-N	442.431	1.663	10	30	IDCC	
Nc1ccc(O)c2c1C(=O)c1c(O)ccc(Nc3cccc(S(N)(=O)=O)c3)c1C2=O	31302752	DMYARGFVXSUNTD-UHFFFAOYSA-N	425.422	1.846	10	30	IDCC	
CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12	1772572883	YITUGUNLCGLOII-GXTWGEPZSA-N	434.435	1.901	10	30	IDCC	
CC[C@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1OC(C)=O)C(=O)c1c(O)ccc(O)c1C3=O	205077244	FKMONJWTOKSCPP-YADHBBJMSA-N	428.393	1.976	10	30	IDCC	
CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC	4175468	RWCVSDKDFSVZNF-KRYGIPSASA-N	428.393	1.414	10	30	IDCC	in-vitro
CC[C@@](O)(C(=O)O)c1cc2n(c(=O)c1CO)Cc1cc3c(CN(C)C)c(O)ccc3nc1-2	22067027	DPQJTQJZJNYUEC-QHCPKHFHSA-N	439.468	1.367	10	30	IDCC	in-vitro
CC[C@]1(O)CCc2c(O)c3c(c(O)c2[C@@H]1OC(C)=O)C(=O)c1c(O)ccc(O)c1C3=O	205077209	FKMONJWTOKSCPP-VXKWHMMOSA-N	428.393	1.976	10	30	IDCC	
CC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@@H]1OC(C)=O)C(=O)c1c(O)ccc(O)c1C3=O	205077230	FKMONJWTOKSCPP-FCHUYYIVSA-N	428.393	1.976	10	30	IDCC	
Nc1cc(S(=O)(=O)O)c(O)c2c1C(=O)c1c(O)cc(-c3ccc(O)cc3)c(N)c1C2=O	31374658	YFKFBKUGGPWWFB-UHFFFAOYSA-N	442.405	1.657	10	30	IDCC