smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N[C@H](CO)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	44460300	XDEYPLQVZMOAIA-GFCCVEGCSA-N	414.201	2.379	5	30	HEBC	
O=C(NC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1c(F)cccc1Cl	20413294	FPDOWBXHDIZHDE-UHFFFAOYSA-N	407.789	2.454	5	30	HEBC	
N[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(F)cc(Br)c1	584596500	NXORJYZUJCFUAX-GFCCVEGCSA-N	418.244	2.475	5	30	HEBC	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nc1	20413318	MXINXFMGACLIIY-UHFFFAOYSA-N	400.819	2.293	5	30	HEBC	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)(C)O)[C@@H]1c1ccccc1[N+](=O)[O-]	22061058	MOZPKZYMNVFLSU-QGZVFWFLSA-N	404.419	2.317	5	30	HEBC	in-vitro
N[C@@H](COCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	238791467	NFIOESHTKBWMPF-OALUTQOASA-N	412.446	2.068	5	30	HEBC	
Cn1c(=O)c2c3nc4ccc(F)cc4cc3c(=O)n(-c3ccccc3)c2n(C)c1=O	1042016	CKOHQSUEVQAQMR-UHFFFAOYSA-N	402.385	2.229	5	30	HEBC	
COC(=O)C1=C(C(OC)OC)NC=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	105853642	ASUYWCQAXXTOAK-OAHLLOKOSA-N	420.418	2.163	5	30	HEBC	
COC(=O)C1=C(C(OC)OC)NC=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	105853647	ASUYWCQAXXTOAK-HNNXBMFYSA-N	420.418	2.163	5	30	HEBC	
N[C@@H](CO)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	44460301	XDEYPLQVZMOAIA-LBPRGKRZSA-N	414.201	2.379	5	30	HEBC	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)(C)O)[C@H]1c1ccccc1[N+](=O)[O-]	22061061	MOZPKZYMNVFLSU-KRWDZBQOSA-N	404.419	2.317	5	30	HEBC	in-vitro
Cc1nn(Cc2nnc(SCC(=O)Nc3ccccc3)n2C)c(C)c1[N+](=O)[O-]	1038230	IHRSDGDUWAUDQR-UHFFFAOYSA-N	401.452	2.316	5	30	HEBC