smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@](OCC[N+](C)(C)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O)(c1ccccc1)c1ccccn1	575417234	WWKJPSSUVBOOLN-WQFGEHHISA-O	447.508	0.330	5	30	ICBC	
C[N+](C)(CCOC(c1ccccc1)c1ccccc1)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	31495147	OAIGZXXQYIJBLR-WJJPVSRMSA-O	432.493	0.761	5	30	ICBC	world
CC(=O)OC[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	44170451	OIIXOWIQJYONGM-UYTYNIKBSA-N	427.362	0.486	5	30	ICBC	in-vitro
C[C@](OCC[N+](C)(C)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O)(c1ccccc1)c1ccccn1	575417233	WWKJPSSUVBOOLN-LIMCDQMVSA-O	447.508	0.330	5	30	ICBC	
CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(C)=O)[C@@H](O)[C@@H]1OC(C)=O	44963912	JUHIIFBVHGQNAI-DUQPFJRNSA-N	426.378	0.059	5	30	ICBC	in-vitro
O=[N+]([O-])c1ccc(NCCCOCCOCCOCCOC[C@@H](O)CO)c([N+](=O)[O-])c1	43163777	PANODFDTENMUSV-INIZCTEOSA-N	447.441	0.725	5	30	ICBC	
O=[N+]([O-])c1ccc(NCCCOCCOCCOCCOC[C@H](O)CO)c([N+](=O)[O-])c1	43163775	PANODFDTENMUSV-MRXNPFEDSA-N	447.441	0.725	5	30	ICBC	
C[C@](OCC[N+](C)(C)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccn1	575417232	WWKJPSSUVBOOLN-GBQYIURDSA-O	447.508	0.330	5	30	ICBC	
O=[N+]([O-])C1(Br)COC(CC2OCC(Br)([N+](=O)[O-])CO2)OC1	38647078	IKKTUSZWZQTPMM-UHFFFAOYSA-N	436.009	0.858	5	30	ICBC	
C[N+](C)(CCOC(c1ccccc1)c1ccccc1)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O	604970624	OAIGZXXQYIJBLR-YOWRRBNZSA-O	432.493	0.761	5	30	ICBC	
C[N+](C)(CCOC(c1ccccc1)c1ccccc1)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O	604970623	OAIGZXXQYIJBLR-MJCUUPPCSA-O	432.493	0.761	5	30	ICBC	
C[N+](C)(CCOC(c1ccccc1)c1ccccc1)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O	604970622	OAIGZXXQYIJBLR-BZEYQNPTSA-O	432.493	0.761	5	30	ICBC