smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOC(=O)C(=O)C(=O)C(=O)OCC	1632620	HYFOWJVQCLIAIO-UHFFFAOYSA-N	202.162	-0.749	10	30	BBCC	
CC(=O)NC1=C[C@H](O)c2nonc2[C@@H]1O	4359044	BPTNHAQHRCCWMM-YLWLKBPMSA-N	211.177	-0.830	10	30	BBCC	
Cn1nnc2c1C(=O)c1cnncc1C2=O	29123130	CBLUYKNIXJXUAT-UHFFFAOYSA-N	215.172	-0.620	10	30	BBCC	
CC1(C)O[C@H]2OC(CO)(CO)[C@H](N=[N+]=[N-])[C@H]2O1	6754974	GUPBGRHABGKBNJ-QYNIQEEDSA-N	245.235	-0.104	10	30	BBCC	
CC1(C)O[C@@H]2[C@@H](O)[C@H](CN=[N+]=[N-])O[C@@]2(CO)O1	22049477	ONUPUTISMDMKFY-LKHWLPBLSA-N	245.235	-0.104	10	30	BBCC	
CC(=O)NC1=C[C@@H](O)c2nonc2[C@H]1O	4359054	BPTNHAQHRCCWMM-XRGYYRRGSA-N	211.177	-0.830	10	30	BBCC	
Nc1ccc(OCCS(N)(=O)=O)cc1	70049417	BRMWXBXLAUSXLI-UHFFFAOYSA-N	216.262	-0.064	10	30	BBCC	
[N-]=[N+]=N[C@H]1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1O	96347710	UJTLQEPJDHHFHA-SHYZEUOFSA-N	237.219	-0.089	10	30	BBCC	
Nc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	38590741	SLLMCDDTDIJDCF-GWOFURMSSA-N	241.243	-0.913	10	30	BBCC	
[N-]=[N+]=NC[C@@H](O)[C@H]1OC(=O)C(O)=C1O	238707580	SHGNWVZFICKATG-DUZGATOHSA-N	201.138	-0.089	10	30	BBCC	
CC(=O)C(=O)CCn1cnc2c(=O)[nH]cnc21	5114134	WGVLKCJJZFOIBX-UHFFFAOYSA-N	234.215	-0.332	10	30	BBCC	
CC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@@H](N=[N+]=[N-])[C@H]2O1	200897595	JWFYCLGFRYLADC-FMDGEEDCSA-N	245.235	-0.105	10	30	BBCC	
[N-]=[N+]=NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CN=[N+]=[N-]	5178975	YZCLVXZZMAYDMT-KVTDHHQDSA-N	232.200	-0.949	10	30	BBCC	
NCCNCc1cccc(O)c1CNCCN	33611493	CGMOQQQFLMKYAH-UHFFFAOYSA-N	238.335	-0.511	10	30	BBCC	
O=C(OCCO)c1cc(O)c(O)c(O)c1	111886275	NNCBVVNCQYNPPB-UHFFFAOYSA-N	214.173	-0.048	10	30	BBCC	
CC(=O)NC1=C[C@@H](O)c2nonc2[C@@H]1O	4359048	BPTNHAQHRCCWMM-SVGQVSJJSA-N	211.177	-0.830	10	30	BBCC	
CC(=O)N[C@H](C(N)=O)c1ccc(O)c(O)c1	39098793	YISHZKQUAALBTH-VIFPVBQESA-N	224.216	-0.240	10	30	BBCC	
[N-]=[N+]=NC[C@H](O)[C@H]1OC(=O)C(O)=C1O	238681817	SHGNWVZFICKATG-JLAZNSOCSA-N	201.138	-0.089	10	30	BBCC	
CC1(C)OC[C@]2(O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]2O)O1	95921629	SFLKASYCODSQOM-JAKMQLQISA-N	245.235	-0.104	10	30	BBCC	
CC1(C)O[C@H]2O[C@H]([C@H](O)CN=[N+]=[N-])[C@H](O)[C@H]2O1	32107279	MAJOJEYOMRHMDB-OZRXBMAMSA-N	245.235	-0.105	10	30	BBCC	in-vitro
CN(C)C(=O)n1cc[n+](C(=O)N(C)C)c1	33900459	RNWYCOQITSHEBG-UHFFFAOYSA-N	211.245	-0.165	10	30	BBCC	
CC1(C)O[C@H]2OC(CO)(CO)[C@@H](N=[N+]=[N-])[C@H]2O1	6754969	GUPBGRHABGKBNJ-VQVTYTSYSA-N	245.235	-0.104	10	30	BBCC	
CC(=O)NC1=C[C@H](O)c2nonc2[C@H]1O	4359051	BPTNHAQHRCCWMM-XNCJUZBTSA-N	211.177	-0.830	10	30	BBCC	
CC1(C)O[C@@H]2[C@@H](O1)OC(CO)(CO)[C@@H]2N=[N+]=[N-]	6754980	GUPBGRHABGKBNJ-XVMARJQXSA-N	245.235	-0.104	10	30	BBCC	in-vitro
CC1(C)O[C@@H]2[C@H](O)[C@H](CN=[N+]=[N-])O[C@@]2(CO)O1	22049482	ONUPUTISMDMKFY-SZACMFPPSA-N	245.235	-0.104	10	30	BBCC	
CC(=O)N[C@@H](C(N)=O)c1ccc(O)c(O)c1	39098795	YISHZKQUAALBTH-SECBINFHSA-N	224.216	-0.240	10	30	BBCC	
CC1(C)O[C@H]2[C@@H](O)[C@H](CN=[N+]=[N-])O[C@@]2(CO)O1	604970544	ONUPUTISMDMKFY-AZRUVXNYSA-N	245.235	-0.104	10	30	BBCC	
Nc1ccc(N2CCNS2(=O)=O)cc1	82656089	IWYWMZXVRBJVPT-UHFFFAOYSA-N	213.262	-0.077	10	30	BBCC	
CC1(C)O[C@H]2[C@H](N=[N+]=[N-])C(CO)(CO)O[C@@H]2O1	6754977	GUPBGRHABGKBNJ-ACZMJKKPSA-N	245.235	-0.104	10	30	BBCC	in-vitro