smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN(C)c1ccc(C(Nc2ccc(S(=O)(=O)O)cc2)c2ccc(N(C)C)cc2)cc1	33506274	GWNOPYKHUMPPBG-UHFFFAOYSA-N	425.554	4.267	10	30	IICC	
CC1=NN(c2ccccc2Cl)C(=O)[C@@H]1/N=N/c1ccc(Cl)cc1S(=O)(=O)O	100357155	NVZMMVHKEJYBEU-FZFLATATSA-N	427.269	4.115	10	30	IICC	
Nc1ccc(/N=N/c2ccc(Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)cc2)c(N)c1	111905098	JMFLQEZGKLTFCK-GHVJWSGMSA-N	428.430	4.165	10	30	IICC	
CC1=NN(c2ccc(Cl)cc2)C(=O)[C@H]1/N=N/c1cc(S(=O)(=O)O)ccc1Cl	100359936	SVYADQBCBQONGJ-CVTQAYBASA-N	427.269	4.115	10	30	IICC	
O=C1Nc2ccccc2C1=Cc1ccc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1	2265279104	BAYQPEJHCWBBGE-UHFFFAOYSA-N	426.476	4.414	10	30	IICC	
Cc1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc3c2O)c(C)c1	103594920	BLAGSUZRRUZRMM-FMQUCBEESA-N	436.467	4.071	10	30	IICC	
O=[N+]([O-])c1cc(Cl)c(/N=N/c2ccc(NC[C@@H](O)CO)c3ccccc23)c([N+](=O)[O-])c1	31459757	XDBOSNLBUUIWCY-GHPOMHATSA-N	445.819	4.490	10	30	IICC	
O=[N+]([O-])c1cc(Cl)c(/N=N/c2ccc(NC[C@H](O)CO)c3ccccc23)c([N+](=O)[O-])c1	31459751	XDBOSNLBUUIWCY-FYKQZTOXSA-N	445.819	4.490	10	30	IICC	
O=C(Nn1c(O)c(/N=N/c2ccccc2[N+](=O)[O-])c2ccccc2c1=O)c1ccccc1	38643631	KJKHOROFNANLFA-WCWDXBQESA-N	429.392	4.415	10	30	IICC	
CC(=O)Nc1cc(NS(=O)(=O)c2ccccc2)ccc1/N=N/c1ncc([N+](=O)[O-])s1	33609045	LMVIHKFPEMITLX-QZQOTICOSA-N	446.470	4.226	10	30	IICC	
CCOC(=O)c1ccc(NC=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1	2015013	SBAPCVUKHIXKME-UHFFFAOYSA-N	427.460	4.154	10	30	IICC	
CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@H]1/N=N/c1cc(S(=O)(=O)O)ccc1Cl	100359928	SVYADQBCBQONGJ-FZFLATATSA-N	427.269	4.115	10	30	IICC	
CCn1c(OC(C)=O)c(CN2CCCCC2)c(C)c(/N=N/c2ccccc2[N+](=O)[O-])c1=O	142104754	HTPAHTKFHIIJTA-WCWDXBQESA-N	441.488	4.411	10	30	IICC	
Cc1c(/N=N/c2ccc(N)cc2N)cc(S(=O)(=O)O)cc1/N=N/c1ccc(N)cc1N	33505844	YYWMAUUKARXEGE-OWUYFMIJSA-N	440.489	4.401	10	30	IICC	
Nc1c(-c2ccc3c(c2N)C(=O)c2ccccc2C3=O)ccc2c1C(=O)c1ccccc1C2=O	199862060	GHPKHIZDZZWUEZ-UHFFFAOYSA-N	444.446	4.069	10	30	IICC	
CCN(CC)c1nc(C)c(/N=N/c2cc(Cl)c(S(=O)(=O)O)cc2Cl)c(N)n1	111896684	LXIMXNKAEKRXQO-QURGRASLSA-N	433.321	4.182	10	30	IICC	
COc1cc(C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C(C)(C)C)cc(OC)c1OC	2265279804	YRGMJAJXLWWQGE-UHFFFAOYSA-N	439.468	4.453	10	30	IICC	
CC1=NN(c2ccccc2Cl)C(=O)[C@H]1/N=N/c1ccc(Cl)cc1S(=O)(=O)O	100357162	NVZMMVHKEJYBEU-CVTQAYBASA-N	427.269	4.115	10	30	IICC	
CCN1C(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S	2265241376	VMWRTHJXDGDFAF-UHFFFAOYSA-N	430.507	4.404	10	30	IICC	
Cc1ccc(Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)cc1S(=O)(=O)O	238790448	PDOHTHBCXQAQBX-UHFFFAOYSA-N	446.484	4.049	10	30	IICC