smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])C[C@@]1(O)CO[C@@H](OCc2ccccc2)[C@H](O)[C@H]1O	22051017	MCEJVWPYHIIEJJ-FDYHWXHSSA-N	299.279	-0.711	5	30	CBBC	in-vitro
O=[N+]([O-])c1ccc([C@H]2NC(CO)(CO)CO2)cc1	20223515	DDVHWDFQHZUGKS-JTQLQIEISA-N	254.242	-0.063	5	30	CBBC	
C[N+]1(CC2=C(C(=O)O)N3C(=O)[C@H](N)[C@H]3SC2)CCCC1	38316470	IIVPIDBZUUAWTF-JOYOIKCWSA-O	298.388	-0.192	5	30	CBBC	
O=[N+]([O-])C(I)([N+](=O)[O-])[N+](=O)[O-]	95754145	PVYWOZWHSJHJFC-UHFFFAOYSA-N	276.930	-0.137	5	30	CBBC	
O=[N+]([O-])c1ccc([C@@H]2NC(CO)(CO)CO2)cc1	20223517	DDVHWDFQHZUGKS-SNVBAGLBSA-N	254.242	-0.063	5	30	CBBC	
O=C1N=c2c3c(ccc2=C1NO)[C@H]([N+](=O)[O-])CCC3	14951580	FQJXCCSUWTUFRG-SECBINFHSA-N	261.237	-0.413	5	30	CBBC	in-vitro
Cn1c([N+](=O)[O-])cnc1N1CCN(S(C)(=O)=O)C1=O	4217442	FNSHYEAUAUHIMB-UHFFFAOYSA-N	289.273	-0.470	5	30	CBBC	in-man
O=[N+]([O-])C[C@@]1(O)CO[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1O	44962944	MCEJVWPYHIIEJJ-UMSGYPCISA-N	299.279	-0.711	5	30	CBBC	in-vitro
O=C1N=c2c3c(ccc2=C1NO)[C@@H]([N+](=O)[O-])CCC3	14951586	FQJXCCSUWTUFRG-VIFPVBQESA-N	261.237	-0.413	5	30	CBBC	in-vitro
O=[N+]([O-])C[C@@]1(O)CO[C@@H](OCc2ccccc2)[C@H](O)[C@@H]1O	22051022	MCEJVWPYHIIEJJ-YVECIDJPSA-N	299.279	-0.711	5	30	CBBC	in-vitro
C[N+]1(CC2=C(C(=O)O)N3C(=O)[C@H](N)[C@@H]3SC2)CCCC1	38316471	IIVPIDBZUUAWTF-CABZTGNLSA-O	298.388	-0.192	5	30	CBBC	
O=[N+]([O-])c1cccc([C@@H]2N[C@H](CO)[C@@H](O)[C@H]2O)c1	33962465	TXCZBCUDSLSUBC-YTWAJWBKSA-N	254.242	-0.678	5	30	CBBC	
CC[N+](C)(CC)CCn1cnc2c1c(=O)n(C)c(=O)n2C	5115118	RJQGWJDZVFJJNM-UHFFFAOYSA-N	294.379	-0.080	5	30	CBBC	
Cn1cnc([N+](=O)[O-])c1NCCN1CCNC1=O	4302396	JASBDHHYXXTEDC-UHFFFAOYSA-N	254.250	-0.235	5	30	CBBC	
O=[N+]([O-])C[C@@]1(O)CO[C@@H](OCc2ccccc2)[C@@H](O)[C@@H]1O	44962942	MCEJVWPYHIIEJJ-WUHRBBMRSA-N	299.279	-0.711	5	30	CBBC	in-vitro
O=[N+]([O-])c1ccccc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O	44804595	YPQCLGUTGDQYNI-PXIYARARSA-N	271.225	-0.587	5	30	CBBC	
O=C(O)[C@H](O)[C@@H](O)C(=O)Nc1ccccc1[N+](=O)[O-]	39193523	HTOIMXXCKYQKQM-HTQZYQBOSA-N	270.197	-0.660	5	30	CBBC	
O=C(OCCO)c1cc(C(=O)OCCO)cc([N+](=O)[O-])c1	5784050	DVVHFUKYLNIPIH-UHFFFAOYSA-N	299.235	-0.107	5	30	CBBC