smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	104580003	NRBLVWUJTCZMHI-UHFFFAOYSA-N	420.250	1.897	5	30	HDBC	
Nc1[nH]c(=S)[nH]c(=O)c1C(c1ccc([N+](=O)[O-])cc1)c1c(N)[nH]c(=S)[nH]c1=O	8636849	PVDKMTPPGBQOTO-UHFFFAOYSA-N	419.448	1.431	5	30	HDBC	
Cc1noc(C)c1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	15035817	ICMUUYZUPDAHQD-UHFFFAOYSA-N	408.436	1.566	5	30	HDBC	
CCCCOCCn1c(=N)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O	31392566	UECNRPKDQBDEFZ-UHFFFAOYSA-N	406.442	1.364	5	30	HDBC	
Cn1c(=O)c([N+](=O)[O-])c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21	1036854	DLIDALHUSAXDCZ-UHFFFAOYSA-N	406.354	1.454	5	30	HDBC	
CN(C)S(=O)(=O)c1ccc(NC=C([N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1	2265278839	BNGVAANGNBFQDC-UHFFFAOYSA-N	411.461	1.898	5	30	HDBC	
O=[N+]([O-])c1ccc(OC[C@H](O)CNCCNc2nccc(C(F)(F)F)n2)cc1	4299473	ZBORAOPONNNRAL-GFCCVEGCSA-N	401.345	1.845	5	30	HDBC	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(N)=O	98090472	HDOWWXJOIAEGEC-GJZGRUSLSA-N	406.439	1.507	5	30	HDBC	
N=C(N)c1ccc(NCCCNc2ccc(C(=N)N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	27433071	ZMDDUDRQHBLMAP-UHFFFAOYSA-N	400.399	1.985	5	30	HDBC	
Cn1c(=O)c([N+](=O)[O-])c(N)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21	3958031	FLUFQNIBXHCUAG-UHFFFAOYSA-N	405.370	1.331	5	30	HDBC	
O=[N+]([O-])c1ccc(OC[C@@H](O)CNCCNc2nccc(C(F)(F)F)n2)cc1	4299474	ZBORAOPONNNRAL-LBPRGKRZSA-N	401.345	1.845	5	30	HDBC	
CC(C)OCCCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O	5114464	CLWTUYRFIABBIN-UHFFFAOYSA-N	407.426	1.244	5	30	HDBC	
Cc1ccc(NC(=O)NC(=O)CNCn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1	33890724	MPZRIUUPKGGUOW-UHFFFAOYSA-N	410.390	1.509	5	30	HDBC	
O=[N+]([O-])c1ccc2c(c1)OCCOCCOCCOC[C@H]([N+](=O)[O-])OCCO2	299803343	KAPDVRSSQALHSB-MRXNPFEDSA-N	402.356	1.035	5	30	HDBC	
O=[N+]([O-])c1ccc2c(c1)OCCOCCOCCOC[C@@H]([N+](=O)[O-])OCCO2	299803342	KAPDVRSSQALHSB-INIZCTEOSA-N	402.356	1.035	5	30	HDBC