smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cc(F)cnc3Cl)sc2C1	1820382568	QDCTUNHXITUYQY-VIFPVBQESA-N	500.002	2.417	10	20	KECD	
COc1cc([N+](=O)[O-])c([C@@H](C)O)cc1OCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]	1857523846	MRHIPHHAKWDGIH-JGCGQSQUSA-N	851.945	2.425	10	20	KECD	
O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1c(F)ccnc1Cl)CC2	1828240524	WMIYWRBYDSFSRH-QMMMGPOBSA-N	500.002	2.417	10	20	KECD	
O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(F)cnc1Cl)CC2	1828244871	UYLQPKHFIJFKKT-VIFPVBQESA-N	500.002	2.417	10	20	KECD	
O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(Cl)nc1F)CC2	1828240185	PGCIBJOSVYYSBH-QMMMGPOBSA-N	500.002	2.417	10	20	KECD	
O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cc(F)cnc3Cl)sc2C1	1820382567	QDCTUNHXITUYQY-SECBINFHSA-N	500.002	2.417	10	20	KECD	
O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(Cl)nc1F)CC2	1828240184	PGCIBJOSVYYSBH-MRVPVSSYSA-N	500.002	2.417	10	20	KECD	
COc1cc([N+](=O)[O-])c([C@H](C)O)cc1OCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]	1857523847	MRHIPHHAKWDGIH-YTTGMZPUSA-N	851.945	2.425	10	20	KECD	
O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(F)cnc1Cl)CC2	1828244870	UYLQPKHFIJFKKT-SECBINFHSA-N	500.002	2.417	10	20	KECD	
Oc1cc(O)c2c(c1)O[C@]1(c3cc(O)c(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C4	198714037	WODBGULXKVZGQF-WWFYOJLTSA-N	592.509	2.499	10	20	KECD	
O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1c(F)ccnc1Cl)CC2	1828240522	WMIYWRBYDSFSRH-MRVPVSSYSA-N	500.002	2.417	10	20	KECD	
O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1nc(Cl)ccc1F)CC2	1828239913	KFGYPUATAQFFBY-QMMMGPOBSA-N	500.002	2.417	10	20	KECD	
O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1nc(Cl)ccc1F)CC2	1828239912	KFGYPUATAQFFBY-MRVPVSSYSA-N	500.002	2.417	10	20	KECD