smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2C(=O)N1CCOCC1	3128823	XSZMUEPCRLOIJR-UHFFFAOYSA-N	383.316	2.187	5	30	GEBC	
Cc1nn(C)c(NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-]	4323895	MQULNLOFATUYMC-UHFFFAOYSA-N	380.213	2.249	5	30	GEBC	
O=C(CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1	5379156	YQMYCLQUUAANHT-HNNXBMFYSA-N	397.343	2.063	5	30	GEBC	
COC(=O)c1cnc(Sc2ccccc2NS(C)(=O)=O)c([N+](=O)[O-])c1	12370030	NUJJVVZMDCPIME-UHFFFAOYSA-N	383.407	2.299	5	30	GEBC	
O=[N+]([O-])c1ccc([C@@H]2OC[C@@]3(CO)CO[C@H](c4ccc([N+](=O)[O-])cc4)N23)cc1	252428498	IHUNRWNYOHTVKX-BCDXTJNWSA-N	387.348	2.294	5	30	GEBC	
Cc1ccc2nc3c(cc2c1)c(=O)n(-c1ccccc1)c1c3c(=O)n(C)c(=O)n1C	1044026	RRMWXMICQJDZBJ-UHFFFAOYSA-N	398.422	2.398	5	30	GEBC	
Cn1cnc([N+](=O)[O-])c1Sc1n[nH]c(=O)n1-c1ccccc1C(F)(F)F	1031074	HPHCUEBOXNTVJM-UHFFFAOYSA-N	386.315	2.372	5	30	GEBC	
O=[N+]([O-])c1cc([C@@H]2OCC3(CO)CO[C@@H](c4csc([N+](=O)[O-])c4)N23)cs1	20223526	QDXHPNWMEPEEFQ-STQMWFEESA-N	399.406	2.417	5	30	GEBC	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1	20413321	IOLCZGTULGNBHP-UHFFFAOYSA-N	382.829	2.154	5	30	GEBC	
O=[N+]([O-])c1ccc([C@H]2OCC3(CO)CO[C@H](c4ccc([N+](=O)[O-])cc4)N23)cc1	20223518	IHUNRWNYOHTVKX-IAGOWNOFSA-N	387.348	2.294	5	30	GEBC	
C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@@H]1O[C@@H]12	100158533	LERNTVKEWCAPOY-RIGSZMOESA-N	392.522	2.346	5	30	GEBC	world
O=[N+]([O-])c1cc([C@@H]2OC[C@@]3(CO)CO[C@H](c4csc([N+](=O)[O-])c4)N23)cs1	252428604	QDXHPNWMEPEEFQ-BTTYYORXSA-N	399.406	2.417	5	30	GEBC	
O=C(CC[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1	5379160	YQMYCLQUUAANHT-OAHLLOKOSA-N	397.343	2.063	5	30	GEBC	
O=[N+]([O-])c1ccc([C@@H]2OCC3(CO)CO[C@@H](c4ccc([N+](=O)[O-])cc4)N23)cc1	20223520	IHUNRWNYOHTVKX-IRXDYDNUSA-N	387.348	2.294	5	30	GEBC	
COc1ccc(CCNC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	1028272	OZTMJSBGKPNAQQ-UHFFFAOYSA-N	389.433	2.459	5	30	GEBC	
C[N+]1(C)[C@H]2C[C@@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@@H]1O[C@@H]12	100489810	LERNTVKEWCAPOY-ZSBSYDTGSA-N	392.522	2.346	5	30	GEBC	world
O=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccc([N+](=O)[O-])o1	2162739	BAIAELTVVAFGNW-UHFFFAOYSA-N	383.364	2.457	5	30	GEBC	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncc(Br)cn2)CC1	1042063	KJGYZDQNVZIZCU-UHFFFAOYSA-N	392.213	2.110	5	30	GEBC	
O=[N+]([O-])c1ccc2nc(N3CCNCC3)ccc2c1I	26641882	IRGBJHWMPCBAGK-UHFFFAOYSA-N	384.177	2.157	5	30	GEBC	in-vitro
COC(=O)C(C(=O)OC)c1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12	1044030	HVUMFMMRKZYWNX-UHFFFAOYSA-N	396.355	2.329	5	30	GEBC	
CCOC(=O)C(C(=O)OCC)c1c([N+](=O)[O-])c(=O)n2c3c(cccc13)CCC2	2565026	VWWSTLLWOZIKAY-UHFFFAOYSA-N	388.376	2.066	5	30	GEBC	
O=[N+]([O-])c1ccc(C2=Nn3c(Cn4nnc5ccccc54)nnc3SC2)cc1	1036078	SMOAYLLQHDJEHD-UHFFFAOYSA-N	392.404	2.337	5	30	GEBC	
O=c1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[nH]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc12	100171382	IWAAXWFVRXGJLD-UHFFFAOYSA-N	375.209	2.314	5	30	GEBC	
Cn1c(=O)c2c3nc4ccccc4cc3c(=O)n(-c3ccccc3)c2n(C)c1=O	1042005	YAVHXMUZVIEWPR-UHFFFAOYSA-N	384.395	2.090	5	30	GEBC	
O=[N+]([O-])c1cc([C@H]2OCC3(CO)CO[C@H](c4csc([N+](=O)[O-])c4)N23)cs1	20223524	QDXHPNWMEPEEFQ-CHWSQXEVSA-N	399.406	2.417	5	30	GEBC	
Cc1nn(C)c(NN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)c1[N+](=O)[O-]	12340325	VGZFDLRBKBRQJY-UHFFFAOYSA-N	396.319	2.321	5	30	GEBC	
COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)c1ccc([N+](=O)[O-])o1	1042584	PKJLMHPRZMDJJQ-UHFFFAOYSA-N	380.309	2.253	5	30	GEBC