smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
[N-]=[N+]=NCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	33976017	VGCOVRUENPCVTD-DWOUCZDBSA-N	249.223	-1.887	10	50	BACA	
[N-]=[N+]=NCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	138506823	VGCOVRUENPCVTD-JAJWTYFOSA-N	249.223	-1.887	10	50	BACA	in-vitro
[N-]=[N+]=NC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	5131878	CMLRUUHRGSJVMD-DVKNGEFBSA-N	205.170	-1.903	10	50	BACA	biogenic,in-vitro
[N-]=[N+]=NCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	138506959	VGCOVRUENPCVTD-QQGCVABSSA-N	249.223	-1.887	10	50	BACA	
[N-]=[N+]=NCCO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O	200430348	VGCOVRUENPCVTD-QYYLWSOASA-N	249.223	-1.887	10	50	BACA	
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N=[N+]=[N-]	38325609	QYZPIZZUWJKSTF-XUUWZHRGSA-N	219.197	-1.249	10	50	BACA	in-vitro
CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1N=[N+]=[N-]	217708815	QYZPIZZUWJKSTF-PFCGLBSHSA-N	219.197	-1.249	10	50	BACA	
[N-]=[N+]=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	57990082	URARQBMUQIRZQO-UKFBFLRUSA-N	205.170	-1.903	10	50	BACA	in-vitro
[N-]=[N+]=NCCO[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	95921705	QGYGQHVACBKGHS-OOJXKGFFSA-N	249.223	-1.885	10	50	BACA	
[N-]=[N+]=NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	238730616	VGCOVRUENPCVTD-PVFLNQBWSA-N	249.223	-1.887	10	50	BACA	
[N-]=[N+]=N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	57990080	URARQBMUQIRZQO-QZABAPFNSA-N	205.170	-1.903	10	50	BACA	in-vitro
COC(=O)[C@H]1S[C@@H](C(=O)OC)C(=O)C1=O	101172773	BYUYLICTAZWKMB-OLQVQODUSA-N	232.213	-1.045	10	50	BACA	
[N-]=[N+]=NCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	59649568	VGCOVRUENPCVTD-WCMLQCRESA-N	249.223	-1.887	10	50	BACA	
[N-]=[N+]=NCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	59649576	VGCOVRUENPCVTD-FMGWEMOISA-N	249.223	-1.887	10	50	BACA	
COC(=O)[C@H]1S[C@H](C(=O)OC)C(=O)C1=O	101172777	BYUYLICTAZWKMB-WDSKDSINSA-N	232.213	-1.045	10	50	BACA	
[N-]=[N+]=N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	25721242	KSRDTSABQYNYMP-FPRJBGLDSA-N	205.170	-1.903	10	50	BACA	biogenic,in-vitro
[N-]=[N+]=NCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	200430416	VGCOVRUENPCVTD-IMFYSGRJSA-N	249.223	-1.887	10	50	BACA	
CC(=O)N[C@H]1[C@H](N=[N+]=[N-])O[C@H](CO)[C@@H](O)[C@@H]1O	5234415	CCZCDCDASZJFGK-FMDGEEDCSA-N	246.223	-1.760	10	50	BACA	in-vitro
CC(=O)OC[C@@H]1O[C@H](N=[N+]=[N-])[C@H](O)[C@@H](O)[C@H]1O	257346025	OVLKFGPGWIMBDH-ZXVYDBTHSA-N	247.207	-1.333	10	50	BACA	
[N-]=[N+]=NCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	199250357	VGCOVRUENPCVTD-GWVFRZDISA-N	249.223	-1.887	10	50	BACA	
CC(=O)OC[C@@H]1O[C@H](N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O	257346024	OVLKFGPGWIMBDH-YMVPXFTJSA-N	247.207	-1.333	10	50	BACA	
COCC1=NNC(=O)C1=CNN1CCOCC1	1857777772	PYEQYESVAJKWSK-UHFFFAOYSA-N	240.263	-1.161	10	50	BACA	
[N-]=[N+]=NCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O	221402941	VGCOVRUENPCVTD-YMVPXFTJSA-N	249.223	-1.887	10	50	BACA	
[N-]=[N+]=NC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	5131851	CMLRUUHRGSJVMD-PHYPRBDBSA-N	205.170	-1.903	10	50	BACA	
CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1N=[N+]=[N-]	257346101	QYZPIZZUWJKSTF-ULQPCXBYSA-N	219.197	-1.249	10	50	BACA	
[N-]=[N+]=NCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	221151505	VGCOVRUENPCVTD-UIAUGNHASA-N	249.223	-1.887	10	50	BACA	
CC(=O)N[C@@H]1[C@H](N=[N+]=[N-])O[C@H](CO)[C@H](O)[C@@H]1O	200430128	CCZCDCDASZJFGK-DWOUCZDBSA-N	246.223	-1.760	10	50	BACA	
COC(=O)[C@@H]1S[C@@H](C(=O)OC)C(=O)C1=O	101172781	BYUYLICTAZWKMB-PHDIDXHHSA-N	232.213	-1.045	10	50	BACA	
[N-]=[N+]=NC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	32107130	CMLRUUHRGSJVMD-VFUOTHLCSA-N	205.170	-1.903	10	50	BACA	biogenic,in-vitro
[N-]=[N+]=N[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	36056221	KSRDTSABQYNYMP-PQMKYFCFSA-N	205.170	-1.903	10	50	BACA	in-vitro
CC(=O)OC[C@@H]1O[C@H](N=[N+]=[N-])[C@H](O)[C@H](O)[C@@H]1O	257346023	OVLKFGPGWIMBDH-WCMLQCRESA-N	247.207	-1.333	10	50	BACA	
CC(=O)OC[C@@H]1O[C@H](N=[N+]=[N-])[C@H](O)[C@H](O)[C@H]1O	257346022	OVLKFGPGWIMBDH-TXXZRHAASA-N	247.207	-1.333	10	50	BACA	
[N-]=[N+]=NCCO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O	200430379	VGCOVRUENPCVTD-DMHSOCPYSA-N	249.223	-1.887	10	50	BACA	
[N-]=[N+]=NC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	3956743	CMLRUUHRGSJVMD-FPRJBGLDSA-N	205.170	-1.903	10	50	BACA	
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1N=[N+]=[N-]	217708898	QYZPIZZUWJKSTF-VOQCIKJUSA-N	219.197	-1.249	10	50	BACA	
O=C1c2no[n+]([O-])c2C(=O)c2no[n+]([O-])c21	2765798	KBNOTZOYLNNXMK-UHFFFAOYSA-N	224.088	-2.295	10	50	BACA	
[N-]=[N+]=N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	39946259	KSRDTSABQYNYMP-VFUOTHLCSA-N	205.170	-1.903	10	50	BACA	in-vitro
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1N=[N+]=[N-]	238850629	CCZCDCDASZJFGK-IMFYSGRJSA-N	246.223	-1.760	10	50	BACA	
[N-]=[N+]=NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	218101085	VGCOVRUENPCVTD-CBQIKETKSA-N	249.223	-1.887	10	50	BACA	
COCC1=NNC(=O)C1=CNCC(=O)OC	2040736783	WIYFDTWEGLGKLE-UHFFFAOYSA-N	227.220	-1.235	10	50	BACA