smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCn1nc(C)c([N+](=O)[O-])c1C(=O)NCC(=O)c1ccc(Cl)cc1	1047667	NYGBDVIQYMSVDY-UHFFFAOYSA-N	350.762	2.386	5	30	FEBC	
CN1CCN(c2ccc3nc(-c4ccc(N)c([N+](=O)[O-])c4)[nH]c3c2)CC1	34190202	OPDPHVPWVJKBIO-UHFFFAOYSA-N	352.398	2.472	5	30	FEBC	
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CCCN1CCOCC1	20458405	XJLGJUZDQWCIKP-UHFFFAOYSA-N	369.377	2.066	5	30	FEBC	
COC(=O)c1cnc(Sc2nnc(C(F)(F)F)n2C)c([N+](=O)[O-])c1	4394890	WYDMEGNHRZKQLK-UHFFFAOYSA-N	363.277	2.075	5	30	FEBC	
NC(=O)C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	4306707	BMTHFNSSRWVDKW-UHFFFAOYSA-N	362.264	2.224	5	30	FEBC	
COc1ccc2c3c1O[C@H]1C4(CC[C@@H]5[C@@H](C2)[N@@+](C)([O-])CC[C@@]351)OCCO4	2265351709	IKHKGFWXOOLZRK-OVOPWMMNSA-N	359.422	2.120	5	30	FEBC	
COc1ccc2c(c1OC)C[N@+]1(C)CCc3cc4c(cc3[C@]1(O)C2)OCO4	605706788	OYYYRRRQDQTELE-YADHBBJMSA-N	370.425	2.337	5	30	FEBC	
COc1cc([C@H]2NC(=O)c3cc([N+](=O)[O-])ccc3N2)cc(OC)c1OC	4299771	ZKCIRVWBJSGDGE-MRXNPFEDSA-N	359.338	2.475	5	30	FEBC	
O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1	29555769	PVJZMPTVZJCOIA-UHFFFAOYSA-N	355.398	2.141	5	30	FEBC	
O=[N+]([O-])c1ccc(-c2nc(N(CCO)CCO)c3ccccc3n2)s1	6117740	QPDGFLZXRKDMRL-UHFFFAOYSA-N	360.395	2.058	5	30	FEBC	
Cc1nn(Cc2nnc(SCC(=O)C(C)(C)C)n2C)c(C)c1[N+](=O)[O-]	1038227	POTQYHXBJPNTJK-UHFFFAOYSA-N	366.447	2.292	5	30	FEBC	
O=C(OCCNc1ccc([N+](=O)[O-])cn1)c1cc2ccccc2oc1=O	20413244	ALXLGTPSCJWNPV-UHFFFAOYSA-N	355.306	2.365	5	30	FEBC	
COC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1	1046902	CKFWUKPYDQFKSS-UHFFFAOYSA-N	360.322	2.299	5	30	FEBC	
C[N+](C)(CCO)CCCNC(=O)c1cc2c(ccc3ccccc32)oc1=O	38647693	BPJMYCSESXGRMF-UHFFFAOYSA-O	369.441	2.135	5	30	FEBC	
Cc1nc(-c2ccc(S(=O)(=O)NN)cc2)c(-c2ccc([N+](=O)[O-])cc2)o1	1041025	ZXFDVXNOPPGRKN-UHFFFAOYSA-N	374.378	2.377	5	30	FEBC	
CC(C)Nc1nc(N(C)C)nc2c1nnc1c3cc([N+](=O)[O-])ccc3nn21	31490170	CJPNQUBNSDHCSV-UHFFFAOYSA-N	367.373	2.015	5	30	FEBC	
COc1ccc2c(c1OC)C[N@@+]1(C)CCc3cc4c(cc3[C@@]1(O)C2)OCO4	605706776	OYYYRRRQDQTELE-FCHUYYIVSA-N	370.425	2.337	5	30	FEBC	
O=[N+]([O-])c1nccn1CCOc1ccccc1I	5117308	ZWZZOWNBKMKCPK-UHFFFAOYSA-N	359.123	2.475	5	30	FEBC	
O=C1N[C@@H]2[C@H](CCCCC(=O)Oc3ccccc3[N+](=O)[O-])SC[C@@H]2N1	43771647	ALDYXYRBHNYQRB-XEGUGMAKSA-N	365.411	2.226	5	30	FEBC	
O=C(OCCS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(Cl)c1	1046949	BBYGFSKHWGMTCP-UHFFFAOYSA-N	370.770	2.274	5	30	FEBC	
COc1ccc2c3c1O[C@H]1C4(CC[C@@H]5[C@@H](C2)[N@+](C)([O-])CC[C@@]351)OCCO4	2265351706	IKHKGFWXOOLZRK-KOWPUWFMSA-N	359.422	2.120	5	30	FEBC	
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCN1CCOCC1	20458402	IPHQMEZATQRREA-UHFFFAOYSA-N	369.377	2.066	5	30	FEBC	
O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1S(=O)(=O)O	38171720	YFPQLLJMKAPUQU-UHFFFAOYSA-N	355.284	2.199	5	30	FEBC	
COc1ccc2c(c1OC)C[N@@+]1(C)CCc3cc4c(cc3[C@]1(O)C2)OCO4	605706783	OYYYRRRQDQTELE-FGZHOGPDSA-N	370.425	2.337	5	30	FEBC	
Cc1ccc(OP(=O)(NCC[N+](C)(C)C)NCC[N+](C)(C)C)cc1	2016314	FKLPGSRHZVAFMJ-UHFFFAOYSA-N	358.467	2.074	5	30	FEBC	
COc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)[N@+](C)([O-])CC[C@@]351)OCCO4	2265351707	IKHKGFWXOOLZRK-KRKZGFAGSA-N	359.422	2.120	5	30	FEBC	
COc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)[N+](C)(C)CC[C@@]351)OCCO4	205153717	FDLUJMLAOSZHJQ-BWMZKYQQSA-N	358.458	2.252	5	30	FEBC	
O=C(CSc1nnnn1-c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1	1029695	DROMFZFNCQJCKC-UHFFFAOYSA-N	357.351	2.251	5	30	FEBC	
O=C(N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C(Cl)(Cl)Cl	19993947	RAAMCIFZOHPDPO-UHFFFAOYSA-N	353.593	2.009	5	30	FEBC	
Nc1nnc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1	12369601	JFLOLSPEDIXOBO-UHFFFAOYSA-N	350.238	2.373	5	30	FEBC	
COc1cc([C@@H]2NC(=O)c3cc([N+](=O)[O-])ccc3N2)cc(OC)c1OC	4299772	ZKCIRVWBJSGDGE-INIZCTEOSA-N	359.338	2.475	5	30	FEBC	
CCCCc1cc2c(=O)cc(C(=O)O)[nH]c2c2c(=O)cc(C(=O)O)[nH]c12	4215124	BQVIONBNDNFCCP-UHFFFAOYSA-N	356.334	2.109	5	30	FEBC	in-man
COc1ccc2c(c1OC)C[N@+]1(C)CCc3cc4c(cc3[C@@]1(O)C2)OCO4	605706786	OYYYRRRQDQTELE-VXKWHMMOSA-N	370.425	2.337	5	30	FEBC	
COc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)[N@@+](C)([O-])CC[C@@]351)OCCO4	2265351708	IKHKGFWXOOLZRK-MLCNXQFFSA-N	359.422	2.120	5	30	FEBC	
O=C(NCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	3131876	UFLWLEFNZUTMQE-UHFFFAOYSA-N	359.294	2.090	5	30	FEBC