smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
[N-]=[N+]=N[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	83301338	KSRDTSABQYNYMP-DVKNGEFBSA-N	205.170	-1.903	10	30	BACC	
[N-]=[N+]=NC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O	5131975	MHJXKGUVFXJLBQ-MGCNEYSASA-N	221.169	-2.175	10	30	BACC	
[N-]=[N+]=N[C@@H]1[C@@H](CO)O[C@H](O)[C@H](O)[C@H]1O	196460996	UMVGRQGCOVIFLI-DVKNGEFBSA-N	205.170	-1.903	10	30	BACC	
[N-]=[N+]=N[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]1O	196460983	UMVGRQGCOVIFLI-VFUOTHLCSA-N	205.170	-1.903	10	30	BACC	
[N-]=[N+]=NC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O	95921630	SCEUDJRSQLNFKT-ZXXMMSQZSA-N	205.170	-1.902	10	30	BACC	
CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H]1O	22002311	DITZTAYZVSZBCC-BNWJMWRWSA-N	219.197	-1.249	10	30	BACC	
[N-]=[N+]=N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O	39304210	URARQBMUQIRZQO-FPRJBGLDSA-N	205.170	-1.903	10	30	BACC	
[N-]=[N+]=N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O	221554333	URARQBMUQIRZQO-QBFJYBIGSA-N	205.170	-1.903	10	30	BACC	
CO[C@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]1O	38284031	DITZTAYZVSZBCC-ZFYZTMLRSA-N	219.197	-1.249	10	30	BACC	biogenic
[N-]=[N+]=NC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O	34543671	SCEUDJRSQLNFKT-ARQDHWQXSA-N	205.170	-1.902	10	30	BACC	
CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@@H]1O	22002320	DITZTAYZVSZBCC-ULQPCXBYSA-N	219.197	-1.249	10	30	BACC	
[N-]=[N+]=N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	39304214	URARQBMUQIRZQO-AIECOIEWSA-N	205.170	-1.903	10	30	BACC	
CO[C@@H]1O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@@H]1O	22002315	DITZTAYZVSZBCC-MLKOFDEISA-N	219.197	-1.249	10	30	BACC	
CN(C)C(=O)CNC1=NC(=O)C(=O)S1	39097628	FXYZAJSCUIWKQE-UHFFFAOYSA-N	215.234	-1.180	10	30	BACC	
[N-]=[N+]=N[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1O	142404653	KFJSKWBEWBTBDI-AIECOIEWSA-N	205.170	-1.903	10	30	BACC	
[N-]=[N+]=NC[C@H](O)[C@@H](O)[C@H](O)C(=O)CO	100091209	DHCFCMVDOWDQHL-OTWZMJIISA-N	205.170	-2.059	10	30	BACC	in-vitro
[N-]=[N+]=N[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	34428338	HFKUSYWEILNCQU-CIOUUCGESA-N	219.153	-1.811	10	30	BACC	
CO[C@@H]1O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H]1O	22002306	DITZTAYZVSZBCC-CXNFULCWSA-N	219.197	-1.249	10	30	BACC