smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(Nc1ccccc1C(=O)NCCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1	4300282	NMYPVSNHRMVHNI-UHFFFAOYSA-N	410.474	3.453	5	30	HGBC	
CN(N[C@@H]1OC(=O)c2ccccc21)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	8616600	HOJVUCIWXJYJBS-CQSZACIVSA-N	412.280	3.332	5	30	HGBC	
O=c1[nH]nc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1C1CCCCC1	15924112	OCLBVUCPJACMCY-UHFFFAOYSA-N	402.436	3.327	5	30	HGBC	
Cc1ccc(OC[C@H]2SCCN2S(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1	1025335	JBMPTJFRCIDESE-QGZVFWFLSA-N	412.464	3.185	5	30	HGBC	
CCOC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	536554692	UIJLGEPOKJAPKX-GFCCVEGCSA-N	412.851	3.395	5	30	HGBC	
Cc1nn(Cc2nnc(SCC(=O)c3ccc(Cl)cc3)n2C)c(C)c1[N+](=O)[O-]	1038225	AHGSXXZXDSVQEX-UHFFFAOYSA-N	420.882	3.213	5	30	HGBC	
Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(c3ccccc3oc1=O)O2	13657800	HEUDTEUHXCTBOV-HNNXBMFYSA-N	403.350	3.379	5	30	HGBC	
CCOC(=O)C(C(=O)OCC)c1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12	2559203	CFTHDOGVTFOYSU-UHFFFAOYSA-N	424.409	3.109	5	30	HGBC	
Cc1ccc(OC[C@@H]2SCCN2S(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1	1025337	JBMPTJFRCIDESE-KRWDZBQOSA-N	412.464	3.185	5	30	HGBC	
COc1ccc(S(=O)(=O)Nc2ccc3oc4ncccc4c(=O)c3c2)cc1OC	1042516	HPZFCVWKXLQTKJ-UHFFFAOYSA-N	412.423	3.159	5	30	HGBC	
O=C(CSc1n[nH]c(=O)n1-c1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1	95626659	FMUWUSGFVLNYQZ-UHFFFAOYSA-N	424.360	3.463	5	30	HGBC	
O=C(CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1)N(c1ccccc1)C1CCCCC1	4324248	SPJBCBLUDSEKRV-UHFFFAOYSA-N	423.517	3.478	5	30	HGBC	
CN(N[C@H]1OC(=O)c2ccccc21)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	8616598	HOJVUCIWXJYJBS-AWEZNQCLSA-N	412.280	3.332	5	30	HGBC	
O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(F)cc1F	1037978	CZURKGZQYUMJSD-UHFFFAOYSA-N	424.303	3.304	5	30	HGBC	
O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(I)cc1	1046113	ZUKSMNWCQGVMCZ-CQSZACIVSA-N	422.178	3.247	5	30	HGBC	
COc1cc(C=CC(=O)N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC	2265279700	WCJFUCNJKATEBH-UHFFFAOYSA-N	415.421	3.113	5	30	HGBC	
O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	19834434	DDAJXIYQONUBGN-UHFFFAOYSA-N	411.340	3.243	5	30	HGBC	
COc1cc([C@@H]2OC(c3cc(C)ccc3[N+](=O)[O-])=NN2C(C)=O)cc(OC)c1OC	1033045	ATOXKWCMYBAWAN-FQEVSTJZSA-N	415.402	3.168	5	30	HGBC	
Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc([N+](=O)[O-])cc1)c1c(c3ccccc3oc1=O)O2	13657802	HEUDTEUHXCTBOV-OAHLLOKOSA-N	403.350	3.379	5	30	HGBC	
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2I)cc1	4347467	XMMOHVZZJJESSD-UHFFFAOYSA-N	404.185	3.000	5	30	HGBC	
O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(I)cc1	100393926	ZUKSMNWCQGVMCZ-AWEZNQCLSA-N	422.178	3.247	5	30	HGBC	
O=[N+]([O-])c1ccc2c(c1)OCCOCCCOCOc1ccccc1OCCO2	299803493	TZQBGGZTAPCRBL-UHFFFAOYSA-N	405.403	3.205	5	30	HGBC	
COc1cc2c(=O)n(CCN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5	1912582	UVXCXZBZPFCAAJ-UHFFFAOYSA-N	421.453	3.010	5	30	HGBC	
O=C(NC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1)Nc1ccc(Cl)cc1	20421213	IJIONVXIKPCIOI-UHFFFAOYSA-N	403.826	3.208	5	30	HGBC	
COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3-n3cccc3)CC2)cc1	4307380	WPKWBIURVHTMDZ-UHFFFAOYSA-N	406.442	3.357	5	30	HGBC	
COc1cc([C@H]2OC(c3cc(C)ccc3[N+](=O)[O-])=NN2C(C)=O)cc(OC)c1OC	1033044	ATOXKWCMYBAWAN-HXUWFJFHSA-N	415.402	3.168	5	30	HGBC	
Cc1cc(OC(=O)c2nn(-c3ccccc3)nc2C)n(-c2ccc([N+](=O)[O-])cc2)n1	1044539	JPDPHXHACVVPEP-UHFFFAOYSA-N	404.386	3.197	5	30	HGBC