smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC1(C)O[C@H]2[C@H](CO)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H](O)[C@H]2O1	22065042	FMELJKWGVVVNFM-YHQUGGNUSA-N	341.316	0.572	5	30	ECBC	in-vitro
CC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(C)=O	13515026	GAZIIOYXDWTTMC-GFCCVEGCSA-O	342.305	0.321	5	30	ECBC	in-vitro
O=C(O)[C@H]1CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	4324291	IXMYIVNVIIYNMT-NEPJUHHUSA-N	334.332	0.749	5	30	ECBC	
COc1cccc([C@@H](c2c(N)n(C)c(=O)n(C)c2=O)[C@H](C)[N+](=O)[O-])c1	102862	QKFISFMTHJJUGA-CABZTGNLSA-N	348.359	0.472	5	30	ECBC	
CC(=O)OC[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(C)=O	13515045	GAZIIOYXDWTTMC-LBPRGKRZSA-O	342.305	0.321	5	30	ECBC	
COc1ccc([C@H](C[N+](=O)[O-])c2c(N)n(C)c(=O)n(C)c2=O)cc1	101877	UMSXCEXPQNUODD-NSHDSACASA-N	334.332	0.083	5	30	ECBC	
CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ccnc2[N+](=O)[O-])CC1	96347508	GTBQYNYWCIOHNH-UHFFFAOYSA-N	339.352	0.871	5	30	ECBC	
O=C(O)[C@@H]1CC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	4324295	IXMYIVNVIIYNMT-NWDGAFQWSA-N	334.332	0.749	5	30	ECBC	
COc1ccccc1[C@@H](C[N+](=O)[O-])c1c(N)n(C)c(=O)n(C)c1=O	101899	RCJPUSOUOAULCR-SNVBAGLBSA-N	334.332	0.083	5	30	ECBC	
NS(=O)(=O)c1ccc(I)cc1[N+](=O)[O-]	84193185	ZQVLHIZSXGLZLE-UHFFFAOYSA-N	328.087	0.847	5	30	ECBC	
COc1cccc([C@@H](c2c(N)n(C)c(=O)n(C)c2=O)[C@@H](C)[N+](=O)[O-])c1	102866	QKFISFMTHJJUGA-SKDRFNHKSA-N	348.359	0.472	5	30	ECBC	
Cn1c(=O)c2c3nc4cc(F)ccc4cc3c(=O)n(C)c2n(C)c1=O	135995	UXTLHYXPMXIXSF-UHFFFAOYSA-N	340.314	0.776	5	30	ECBC	
Cc1ccc(OC[C@@H](O)CN2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1	119233	SKRBYZSAQPFRPY-ZDUSSCGKSA-N	337.376	0.840	5	30	ECBC	
Nc1cc(CN2CCOCC2)ccc1NC(=O)c1n[nH]cc1[N+](=O)[O-]	504523239	KFFYKTFJFKOBMN-UHFFFAOYSA-N	346.347	0.985	5	30	ECBC	
O=[N+]([O-])c1ccc(OCCOCCO)cc1OCCOCCO	1615773780	ZSISQPQPHUHHBO-UHFFFAOYSA-N	331.321	0.370	5	30	ECBC	
CC1(C)O[C@H]2[C@H](CO)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@H](O)[C@H]2O1	44963958	FMELJKWGVVVNFM-VJTDZRGJSA-N	341.316	0.572	5	30	ECBC	in-vitro
O=C(CCCn1ccnc1[N+](=O)[O-])NCCn1cncc1[N+](=O)[O-]	17217479	UPAXAMPOZYLHQR-UHFFFAOYSA-N	337.296	0.493	5	30	ECBC	
COc1cccc([C@H](c2c(N)n(C)c(=O)n(C)c2=O)[C@H](C)[N+](=O)[O-])c1	102869	QKFISFMTHJJUGA-JOYOIKCWSA-N	348.359	0.472	5	30	ECBC	
COc1ccccc1[C@@H](c1c(N)n(C)c(=O)n(C)c1=O)[C@H](C)[N+](=O)[O-]	102906	MFFVYROVQWNVBE-CABZTGNLSA-N	348.359	0.472	5	30	ECBC	
O=C(O)[C@@H]1CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	4324294	IXMYIVNVIIYNMT-VXGBXAGGSA-N	334.332	0.749	5	30	ECBC	
Cc1ccc2cc3c(=O)n(C)c4c(c(=O)n(C)c(=O)n4C)c3nc2c1	86449	PKQLHTQMCHJURO-UHFFFAOYSA-N	336.351	0.946	5	30	ECBC	
COc1ccccc1[C@@H](c1c(N)n(C)c(=O)n(C)c1=O)[C@@H](C)[N+](=O)[O-]	102909	MFFVYROVQWNVBE-SKDRFNHKSA-N	348.359	0.472	5	30	ECBC	
COc1ccc([C@@H](C[N+](=O)[O-])c2c(N)n(C)c(=O)n(C)c2=O)cc1	101881	UMSXCEXPQNUODD-LLVKDONJSA-N	334.332	0.083	5	30	ECBC	
O=C(O)[C@H]1CC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	4324292	IXMYIVNVIIYNMT-RYUDHWBXSA-N	334.332	0.749	5	30	ECBC	
COc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	8648580	PBIHJTBSHRUXKZ-UHFFFAOYSA-N	347.305	0.533	5	30	ECBC	
COC(CC(F)([N+](=O)[O-])[N+](=O)[O-])(CC(F)([N+](=O)[O-])[N+](=O)[O-])OC	100066840	ZBPKHPPWHMNISJ-UHFFFAOYSA-N	348.171	0.109	5	30	ECBC	
COc1ccc(C[N+](C)(CCCNC=O)CCCNC=O)cc1N	5159426	KCKZSUCYNGROGA-UHFFFAOYSA-O	337.444	0.496	5	30	ECBC	
COc1ccccc1[C@H](c1c(N)n(C)c(=O)n(C)c1=O)[C@H](C)[N+](=O)[O-]	102914	MFFVYROVQWNVBE-JOYOIKCWSA-N	348.359	0.472	5	30	ECBC	
COc1cccc([C@H](c2c(N)n(C)c(=O)n(C)c2=O)[C@@H](C)[N+](=O)[O-])c1	102873	QKFISFMTHJJUGA-BXKDBHETSA-N	348.359	0.472	5	30	ECBC	
Cc1ccc(OC[C@H](O)CN2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1	119231	SKRBYZSAQPFRPY-CYBMUJFWSA-N	337.376	0.840	5	30	ECBC	
Cc1ccc2nc3c(cc2c1)c(=O)n(C)c1c3c(=O)n(C)c(=O)n1C	161543	YIGZGNBPCHLAIC-UHFFFAOYSA-N	336.351	0.946	5	30	ECBC	
Cn1c(N)c([C@@H](C[N+](=O)[O-])c2ccccc2Cl)c(=O)n(C)c1=O	101883	CLAXZQGGQUXLTI-VIFPVBQESA-N	338.751	0.728	5	30	ECBC	
COC(=O)C(C(=O)OC)c1c([N+](=O)[O-])c(=O)n(C)c2ccccc12	86099	NHSHRXZECDQCRE-UHFFFAOYSA-N	334.284	0.876	5	30	ECBC	
Cn1c(=O)c2c(O)c([N+](=O)[O-])c(=O)n(-c3ccccc3)c2n(C)c1=O	161674	GVXWDASBKYMEAC-UHFFFAOYSA-N	344.283	0.002	5	30	ECBC	
O=C(N1CCOCC1)N1CCCN(c2ccc([N+](=O)[O-])cn2)CC1	20405977	HXUMFDIVJWNIKL-UHFFFAOYSA-N	335.364	0.954	5	30	ECBC	
CN(C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8616516	JYRGCQQGQKPFCU-UHFFFAOYSA-N	332.338	0.733	5	30	ECBC	
Cn1c(N)c([C@H](C[N+](=O)[O-])c2ccccc2Cl)c(=O)n(C)c1=O	101885	CLAXZQGGQUXLTI-SECBINFHSA-N	338.751	0.728	5	30	ECBC	
COc1ccccc1[C@H](c1c(N)n(C)c(=O)n(C)c1=O)[C@@H](C)[N+](=O)[O-]	102916	MFFVYROVQWNVBE-BXKDBHETSA-N	348.359	0.472	5	30	ECBC	
CC1(C)OC[C@H]2O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@H](O)[C@@H](O)[C@H]2O1	44963960	WMXICGHJKXEDDR-POQQGIQPSA-N	341.316	0.572	5	30	ECBC	in-vitro
CC1(C)O[C@H]2[C@@H](CO)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@H](O)[C@H]2O1	44963956	FMELJKWGVVVNFM-RGDJUOJXSA-N	341.316	0.572	5	30	ECBC	in-vitro
CC1(C)O[C@H]2[C@@H](CO)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H](O)[C@H]2O1	22065048	FMELJKWGVVVNFM-HTOAHKCRSA-N	341.316	0.572	5	30	ECBC	in-vitro
COc1ccccc1[C@H](C[N+](=O)[O-])c1c(N)n(C)c(=O)n(C)c1=O	101895	RCJPUSOUOAULCR-JTQLQIEISA-N	334.332	0.083	5	30	ECBC	
CCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O	5115207	MJRAWDJHNNPSHG-UHFFFAOYSA-N	335.319	0.448	5	30	ECBC