smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
[N-]=[N+]=NC[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	104459915	SXQJFSPBUVMKMT-SLPGGIOYSA-N	189.171	-1.222	10	30	AACC	
O=C(O)C(=O)C(=O)C(=O)O	5178386	BLNNXYDKWOJQGK-UHFFFAOYSA-N	146.054	-1.706	10	30	AACC	in-vitro
CNC(=O)CNC(=O)C=[N+]=[N-]	95865786	XKIYAXBBZOYLIY-UHFFFAOYSA-N	156.145	-1.851	10	30	AACC	
O=C1C(=O)[C@H](O)[C@H]1O	34120430	LOXKJXLULTVXGW-JCYAYHJZSA-N	116.072	-2.140	10	30	AACC	
N[C@H]1C(=O)C(=O)[C@@H]1N	79455899	DSYGTZHXERYDBE-JCYAYHJZSA-N	114.104	-2.207	10	30	AACC	
[N-]=[N+]=CC(=O)NCC(N)=O	4727053	JSBXCTZQDYMKJQ-UHFFFAOYSA-N	142.118	-2.112	10	30	AACC	
CC(=O)C(=O)[C@H](O)CO	1532387	UYTRITJAZOPLCZ-SCSAIBSYSA-N	132.115	-1.502	10	30	AACC	in-vitro,metabolite
[N-]=[N+]=N[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	307093734	DHFFHQUOZLQWBU-FCAWWPLPSA-N	175.144	-1.264	10	30	AACC	
CC(=O)C(=O)[C@@H](O)CO	100073273	UYTRITJAZOPLCZ-BYPYZUCNSA-N	132.115	-1.502	10	30	AACC	in-vitro
N[C@@H]1C(=O)C(=O)[C@@H]1N	79455893	DSYGTZHXERYDBE-XIXRPRMCSA-N	114.104	-2.207	10	30	AACC	
C=c1c(=O)n2c(c(=O)n1C)=CCC2	39114140	YVSDONURQUPYGD-UHFFFAOYSA-N	178.191	-1.859	10	30	AACC	
O=C1C(=O)[C@H](O)[C@@H]1O	34120428	LOXKJXLULTVXGW-XIXRPRMCSA-N	116.072	-2.140	10	30	AACC	
[N-]=[N+]=N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O	104524288	WVWBURHISBVZHI-MBMOQRBOSA-N	175.144	-1.264	10	30	AACC	
N[C@@H]1C(=O)C(=O)[C@H]1N	79455896	DSYGTZHXERYDBE-LWMBPPNESA-N	114.104	-2.207	10	30	AACC	
O=C1C(=O)[C@@H](O)[C@@H]1O	34120429	LOXKJXLULTVXGW-LWMBPPNESA-N	116.072	-2.140	10	30	AACC