smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1CC[C@H](N2Cc3c(/N=[N+](\[O-])c4cccc5c4C(=O)N([C@H]4CCC(=O)NC4=O)C5)cccc3C2=O)C(=O)N1	2048528985	WOFOEAVGFYGIDS-BEDJWIMGSA-N	530.497	1.134	10	20	KDCD	
O=C1CC[C@@H](N2Cc3c(/N=[N+](\[O-])c4cccc5c4C(=O)N([C@@H]4CCC(=O)NC4=O)C5)cccc3C2=O)C(=O)N1	2048528987	WOFOEAVGFYGIDS-QRUXHWFASA-N	530.497	1.134	10	20	KDCD	
CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCCOCCN=[N+]=[N-])cc1	1857792257	JHWPYSXSHDOPHL-SVEHJYQDSA-N	728.808	1.738	10	20	KDCD	
O=C1CC[C@H](N2Cc3c(N=Nc4cccc5c4C(=O)N([C@@H]4CCC(=O)NC4=O)C5)cccc3C2=O)C(=O)N1	2332239689	LGWSPSBMNXLFSS-MOPGFXCFSA-N	514.498	1.624	10	20	KDCD	
O=C1CC[C@H](N2Cc3c(N=[N+]([O-])c4cccc5c4C(=O)N([C@@H]4CCC(=O)NC4=O)C5)cccc3C2=O)C(=O)N1	2332239693	WOFOEAVGFYGIDS-MOPGFXCFSA-N	530.497	1.134	10	20	KDCD	
O=C1CC[C@H](N2Cc3cccc(/N=N/c4cccc5c4CN([C@@H]4CCC(=O)NC4=O)C5=O)c3C2=O)C(=O)N1	2048528891	LGWSPSBMNXLFSS-LRVLQJNLSA-N	514.498	1.624	10	20	KDCD	
O=C1CC[C@H](N2Cc3c(/N=[N+](\[O-])c4cccc5c4C(=O)N([C@@H]4CCC(=O)NC4=O)C5)cccc3C2=O)C(=O)N1	2048528988	WOFOEAVGFYGIDS-RDIODGBISA-N	530.497	1.134	10	20	KDCD	
O=C1CC[C@H](N2Cc3c(/N=N/c4cccc5c4C(=O)N([C@H]4CCC(=O)NC4=O)C5)cccc3C2=O)C(=O)N1	2048528893	LGWSPSBMNXLFSS-UNIQPNKISA-N	514.498	1.624	10	20	KDCD	
[N-]=[N+]=NCCOCCOCCOCCN(CCOCCOCCOCCN=[N+]=[N-])C(=O)CCOCCOCCC(=O)O	1857791857	HWCACWQZMXKCSB-UHFFFAOYSA-N	607.662	1.433	10	20	KDCD	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O	103292628	KRZBCHWVBQOTNZ-ZSGFIFMUSA-N	516.455	1.030	10	20	KDCD	
O=C1CC[C@H](N2Cc3c(N=Nc4cccc5c4C(=O)N([C@H]4CCC(=O)NC4=O)C5)cccc3C2=O)C(=O)N1	2332239690	LGWSPSBMNXLFSS-OALUTQOASA-N	514.498	1.624	10	20	KDCD	
O=C1CC[C@H](N2Cc3c(N=[N+]([O-])c4cccc5c4C(=O)N([C@H]4CCC(=O)NC4=O)C5)cccc3C2=O)C(=O)N1	2332239694	WOFOEAVGFYGIDS-OALUTQOASA-N	530.497	1.134	10	20	KDCD	
CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1[C@H](O)[C@@H](Cc1c(O)c(O)c(C(N)=O)c(O)c1N(C)C)C(C(=O)O)=C2O	2048529607	QVXMQTSSDFEXBJ-WIUDPPPLSA-N	617.656	1.326	10	20	KDCD	
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]	1857523822	OQTVAPCRFCFCFU-UHFFFAOYSA-N	541.639	1.109	10	20	KDCD	
O=C1CC[C@@H](N2Cc3c(N=Nc4cccc5c4C(=O)N([C@@H]4CCC(=O)NC4=O)C5)cccc3C2=O)C(=O)N1	2332239692	LGWSPSBMNXLFSS-RTBURBONSA-N	514.498	1.624	10	20	KDCD	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@@](OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)C[C@H]1O	585662625	IYXQRCXQQWUFQV-JFZVQIRRSA-N	516.455	1.030	10	20	KDCD	
O=C1CC[C@H](N2Cc3cccc(/[N+]([O-])=N/c4cccc5c4CN([C@@H]4CCC(=O)NC4=O)C5=O)c3C2=O)C(=O)N1	2048528986	WOFOEAVGFYGIDS-BLPMQRONSA-N	530.497	1.134	10	20	KDCD	
O=C1CC[C@@H](N2Cc3c(N=[N+]([O-])c4cccc5c4C(=O)N([C@@H]4CCC(=O)NC4=O)C5)cccc3C2=O)C(=O)N1	2332239696	WOFOEAVGFYGIDS-RTBURBONSA-N	530.497	1.134	10	20	KDCD	
O=C1CC[C@H](N2Cc3cccc(N=Nc4cccc5c4CN([C@@H]4CCC(=O)NC4=O)C5=O)c3C2=O)C(=O)N1	2332239691	LGWSPSBMNXLFSS-RBUKOAKNSA-N	514.498	1.624	10	20	KDCD	
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]	2048532413	MJRWWLRDMAXCFR-UHFFFAOYSA-N	629.745	1.142	10	20	KDCD	
CC(C)(C)OC(=O)NCCOCCOCCC(=O)N(CCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCC(=O)O	1857791767	KGAMPVINRLXGCH-UHFFFAOYSA-N	681.781	1.648	10	20	KDCD	
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]	2048532328	BDFYYRYBZUPGSL-UHFFFAOYSA-N	538.639	1.954	10	20	KDCD	
O=C1CC[C@@H](N2Cc3c(/N=N/c4cccc5c4C(=O)N([C@@H]4CCC(=O)NC4=O)C5)cccc3C2=O)C(=O)N1	2048528890	LGWSPSBMNXLFSS-FJBDMCAGSA-N	514.498	1.624	10	20	KDCD	
O=C1CC[C@H](N2Cc3cccc([N+]([O-])=Nc4cccc5c4CN([C@@H]4CCC(=O)NC4=O)C5=O)c3C2=O)C(=O)N1	2332239695	WOFOEAVGFYGIDS-RBUKOAKNSA-N	530.497	1.134	10	20	KDCD	
CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1[C@@H](O)[C@@H](Cc1c(O)c(O)c(C(N)=O)c(O)c1N(C)C)C(C(=O)O)=C2O	2048529606	QVXMQTSSDFEXBJ-MQJDWESPSA-N	617.656	1.326	10	20	KDCD	
O=C1CC[C@H](N2Cc3c(/N=N/c4cccc5c4C(=O)N([C@@H]4CCC(=O)NC4=O)C5)cccc3C2=O)C(=O)N1	2048528892	LGWSPSBMNXLFSS-OLDZSPKPSA-N	514.498	1.624	10	20	KDCD