smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(NC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1)Nc1ccccc1	20421215	JYVBBUSBFMDFHL-UHFFFAOYSA-N	369.381	2.555	5	30	FFBC	
CC(C)(C)[S@](=O)N[C@H](C[N+](=O)[O-])c1cc(F)cc(Br)c1	2048485882	WGGMMFAEMZMFKV-GIPWTMENSA-N	367.240	2.958	5	30	FFBC	
CCSc1ncccc1C(=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3118388	NFPDDDFEXNDMKE-UHFFFAOYSA-N	364.339	2.734	5	30	FFBC	
CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3cc([N+](=O)[O-])ccc32)CC1	71257563	JVAILULNFTYIAC-UHFFFAOYSA-N	362.386	2.810	5	30	FFBC	
COc1ccccc1C1=NO[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1	4334877	WAHWAVDUMOEKLY-AWEZNQCLSA-N	356.334	2.953	5	30	FFBC	
COC(=O)[C@H](O)[C@@H](Sc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1	22011502	FULUJKXDCQTJJV-CVEARBPZSA-N	363.391	2.971	5	30	FFBC	
Cc1cc(C)cc(NC(=O)NC[C@H](O)COc2ccc([N+](=O)[O-])cc2)c1	1033887	RWFYZLRFNRVSGO-INIZCTEOSA-N	359.382	2.773	5	30	FFBC	
C[N+]1(Cc2ccc(C(=O)O)cc2)CCN(Cc2ccc(C(=O)O)cc2)CC1	143258539	SFVYGHRBMPPZSI-UHFFFAOYSA-O	369.441	2.545	5	30	FFBC	
CCOC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1	3045613	IMEPHDUIZPFHTI-UHFFFAOYSA-N	374.349	2.689	5	30	FFBC	
CC(=O)Oc1ccccc1/C=C1/N=C(c2cccc([N+](=O)[O-])c2)OC1=O	1041627	IQOVOFWOBPQWQT-XNTDXEJSSA-N	352.302	2.865	5	30	FFBC	
COc1ccc(OC)c(S(=O)(=O)Oc2ccc(C)cc2[N+](=O)[O-])c1	3120043	UEDMIWPXGSNVMO-UHFFFAOYSA-N	353.352	2.688	5	30	FFBC	
COc1ccc2c3c1O[C@H]1C4(CC[C@@H](C=C2)[C@@]31CC[N+](C)(C)[O-])OCCO4	205153760	KBHJZRDRSMDBNO-YSGRDPCXSA-N	373.449	2.838	5	30	FFBC	
COC(=O)[C@@H](O)[C@H](Sc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1	22011507	FULUJKXDCQTJJV-JKSUJKDBSA-N	363.391	2.971	5	30	FFBC	
CC(=O)Nc1cccc(OCCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1	4321582	IFPRHISSEVLKHB-UHFFFAOYSA-N	357.366	2.752	5	30	FFBC	
CN1C(=O)c2ccccc2Sc2cc([N+](=O)[O-])ccc2S1(=O)=O	1044312	KAAIQWKJMYDEPA-UHFFFAOYSA-N	350.377	2.520	5	30	FFBC	
Cc1cc(-c2nnc(CSc3nnc(N)s3)o2)ccc1[N+](=O)[O-]	3138532	XEILLSABZMRYQD-UHFFFAOYSA-N	350.385	2.679	5	30	FFBC	
CCOC(=O)c1cnc2c(ccc3c(O)c(C(=O)OCC)cnc32)c1O	5114838	PMZGJTQGPUEOKK-UHFFFAOYSA-N	356.334	2.548	5	30	FFBC	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C)cc2[N+](=O)[O-])cc1	3131816	GKJAVKYPUCNKAQ-UHFFFAOYSA-N	350.352	2.629	5	30	FFBC	
O=C(Oc1cc(=O)oc2c1c(=O)n1c3c(cccc23)CC1)c1cccs1	1036073	ZKQDGGLBERECBC-UHFFFAOYSA-N	365.366	2.945	5	30	FFBC	
O=C(Nc1ccccc1C(=O)NCc1ccccn1)c1ccc([N+](=O)[O-])o1	1042569	LKYUPGWOYAPWCX-UHFFFAOYSA-N	366.333	2.765	5	30	FFBC	
C[C@H](C[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C)C(=O)O	1848349936	DPEDERVAIVBSLJ-PWSUYJOCSA-N	368.386	2.847	5	30	FFBC	
O=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1	1036998	ZAHDDDBHKVUPJK-UHFFFAOYSA-N	359.426	2.896	5	30	FFBC	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc([N+](=O)[O-])c1	1043347	TYXRHAOAENLYNW-QGZVFWFLSA-N	367.361	2.590	5	30	FFBC	
CCn1nc(C)c([N+](=O)[O-])c1-c1nnnn1-c1ccc(C(F)(F)F)cc1	1047669	JRKDDUUEJNZZRD-UHFFFAOYSA-N	367.291	2.781	5	30	FFBC	
O=C(Cc1ccccc1)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	1037010	PBNPNYJGZXQBGK-UHFFFAOYSA-N	367.405	2.558	5	30	FFBC	
COC(=O)[C@@H](O)[C@@H](Sc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1	22011498	FULUJKXDCQTJJV-HOTGVXAUSA-N	363.391	2.971	5	30	FFBC	
O=[N+]([O-])/C=C1\CCCN1c1cc(O)c(N2CCC/C2=C\[N+](=O)[O-])cc1O	5394727	QIQGKOLLASBSOU-WGDLNXRISA-N	362.342	2.534	5	30	FFBC	
COc1ccccc1C1=NO[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1	1035291	WAHWAVDUMOEKLY-CQSZACIVSA-N	356.334	2.953	5	30	FFBC	
COC(=O)c1sccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	2162803	DGOXCGCZEGEKBV-UHFFFAOYSA-N	357.365	2.519	5	30	FFBC	
CCOC(=O)c1c(NC(=O)c2cc(C)on2)c2cc([N+](=O)[O-])ccc2n1C	4307621	TXYZJUYONKONNO-UHFFFAOYSA-N	372.337	2.812	5	30	FFBC	
O=C1NCCCC[C@H]1Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	4306703	HHYZNTQFJBNUSS-MRVPVSSYSA-N	362.264	2.602	5	30	FFBC	
COC(=O)Cc1c(Cl)nc(Cc2ccc([N+](=O)[O-])cc2)nc1Cl	113847906	GUTCRFGLBLOCGC-UHFFFAOYSA-N	356.165	2.998	5	30	FFBC	
CCOc1ccc(Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])cc1	5139916	SIFKXZAVMBSRMB-UHFFFAOYSA-N	365.411	2.987	5	30	FFBC	
COC(=O)c1cc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1	96327751	CGNYRXBURZLBKG-UHFFFAOYSA-N	360.278	2.743	5	30	FFBC	
CN(C)S(=O)(=O)c1ccc(Sc2ccccc2N)c([N+](=O)[O-])c1	201174684	HARPNAMTBPNGCV-UHFFFAOYSA-N	353.425	2.579	5	30	FFBC	
Cc1cc(C)cc(NC(=O)NC[C@@H](O)COc2ccc([N+](=O)[O-])cc2)c1	1033888	RWFYZLRFNRVSGO-MRXNPFEDSA-N	359.382	2.773	5	30	FFBC	
CC(C)(C)[S@@](=O)N[C@@H](C[N+](=O)[O-])c1cc(F)cc(Br)c1	2048485883	WGGMMFAEMZMFKV-PRWKNARSSA-N	367.240	2.958	5	30	FFBC	
COc1ccc(S(=O)(=O)Oc2ccc(C)cc2[N+](=O)[O-])cc1OC	2158377	NVFXMHZOYXAVSF-UHFFFAOYSA-N	353.352	2.688	5	30	FFBC	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc([N+](=O)[O-])c1	1043348	TYXRHAOAENLYNW-KRWDZBQOSA-N	367.361	2.590	5	30	FFBC	
COC(=O)c1ccsc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	8618121	XFPYZJQQAWFWSU-UHFFFAOYSA-N	351.296	2.603	5	30	FFBC	
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccc(C)c1[N+](=O)[O-]	44154421	FVZVWQIZIMBLIE-UHFFFAOYSA-N	374.393	2.826	5	30	FFBC	
CN(C)S(=O)(=O)c1ccc(Sc2ccccc2[N+](=O)[O-])c(N)c1	33609049	RPLFTSQDXKCPHC-UHFFFAOYSA-N	353.425	2.579	5	30	FFBC	
O=C1NCCCC[C@@H]1Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	4306705	HHYZNTQFJBNUSS-QMMMGPOBSA-N	362.264	2.602	5	30	FFBC	
COC(=O)c1cccc(NC(=S)NC(=O)c2csc([N+](=O)[O-])c2)c1	3138724	DCCPIOWYYFEEBW-UHFFFAOYSA-N	365.392	2.570	5	30	FFBC	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C)c([N+](=O)[O-])c2)cc1	3131820	CKOMUHFBAWJEIB-UHFFFAOYSA-N	350.352	2.629	5	30	FFBC	
CCCN(CCC)CCc1cccc([N+](=O)[O-])c1CC(=O)C(=O)OCC	22005664	WOOIUFZMYXSJNR-UHFFFAOYSA-N	364.442	2.934	5	30	FFBC	
CC(=O)Oc1ccccc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O	1041606	GZHZFMNOBLXGKX-XNTDXEJSSA-N	352.302	2.865	5	30	FFBC	
CCOC(=O)c1c(NC(=O)c2ccno2)c2cc([N+](=O)[O-])ccc2n1C	4307620	JATWBDGVMHEUSX-UHFFFAOYSA-N	358.310	2.504	5	30	FFBC	
CCOC(=O)C(C)(C(=O)OCC)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1	66055304	MOYAVKBQHMQBJO-UHFFFAOYSA-N	363.288	2.998	5	30	FFBC	
O=C(NC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1	1044209	NUWIEYLKIGKZSB-UHFFFAOYSA-N	353.378	2.629	5	30	FFBC	
COC(=O)[C@H](O)[C@H](Sc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1	22011511	FULUJKXDCQTJJV-HZPDHXFCSA-N	363.391	2.971	5	30	FFBC	
COC(=O)c1cnc(Sc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1	4394891	WFVVSHOGMMYCPI-UHFFFAOYSA-N	357.351	2.713	5	30	FFBC	
CC(=O)Nc1cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2oc1=O	1040703	JKPDDFFURJQHOM-UHFFFAOYSA-N	367.317	2.912	5	30	FFBC	
O=[N+]([O-])c1ccc(N2CCCN(C(=S)Nc3ccccc3)CC2)nc1	20406014	DSCQAFLKKZXBCB-UHFFFAOYSA-N	357.439	2.899	5	30	FFBC	
C[C@@H](C[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C)C(=O)O	1848349924	DPEDERVAIVBSLJ-CMPLNLGQSA-N	368.386	2.847	5	30	FFBC	
O=[N+]([O-])c1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1	20224058	XYSBNBDMPQPMLH-UHFFFAOYSA-N	353.304	2.730	5	30	FFBC	
O=C(Oc1cc(=O)oc2c1c(=O)n1c3c(cccc23)CC1)c1ccccc1	1036072	JFXJPALAKOIIEH-UHFFFAOYSA-N	359.337	2.883	5	30	FFBC