smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCN(CCN2CCCC2)CC1	217683227	TYHTXLAJCIBHLO-UHFFFAOYSA-N	414.304	-0.461	70	20	HBID	
O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1O)c1cc(S(=O)(=O)F)c[nH]1	1025698306	JWABFGTYLMZJOI-AYLJWORCSA-N	413.427	-0.602	70	20	HBID	
O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)[C@@H]1CCS(=O)(=O)C1	780370892	UFJVNRWPBYJGAQ-MRVPVSSYSA-N	400.431	-0.911	70	20	HBID	
Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cn1	1338401626	YRPUOSMMJCUNPU-UHFFFAOYSA-N	419.460	-0.011	70	20	HBID	
O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1O)c1cc(S(=O)(=O)F)c[nH]1	1025698140	FEMQNQGPEPPCTB-HKSQYMQFSA-N	401.416	-0.458	70	20	HBID	
O=C(NC[C@H](CO)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1cc(S(=O)(=O)F)c[nH]1	1756550187	PPFFCLWOXKMGMZ-PMABYBCHSA-N	401.416	-0.697	70	20	HBID	
Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cn1C	1120944404	MKASADAYTGWBSE-UHFFFAOYSA-N	419.460	-0.138	70	20	HBID	
O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@@H]1O)c1cc(S(=O)(=O)F)c[nH]1	970676723	JWABFGTYLMZJOI-FVPRTTFKSA-N	413.427	-0.602	70	20	HBID	
O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1346040718	OBBXQZFRDDQBHE-UHFFFAOYSA-N	400.388	-0.894	70	20	HBID	
O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	771829888	MXQMVBUUOCXKSY-UHFFFAOYSA-N	405.385	-0.323	70	20	HBID	
O=C(N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1O)[C@@H]1C[C@H]2CC[C@@H]1O2	1025760956	QOAOIASBVQRUSX-HKSQYMQFSA-N	401.416	-0.458	70	20	HBID	
O=C(Nc1cncc(OS(=O)(=O)F)c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	2088594933	MUIDSQRWFJUOQD-KOLCDFICSA-N	421.428	-0.351	70	20	HBID	
O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)[C@H]1CCc2nncn2C1	793448879	VVAHKCOSCKSHBZ-VIFPVBQESA-N	403.417	-0.492	70	20	HBID	
NS(=O)(=O)c1ccc(NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)nc1	780377810	ZIWFVQMUKGSTFQ-UHFFFAOYSA-N	410.430	-0.307	70	20	HBID	
COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1520864899	DNWQORNKHWEBPA-LBPRGKRZSA-N	404.464	-0.028	70	20	HBID	
O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1cc(S(=O)(=O)F)c[nH]1	1756550186	PPFFCLWOXKMGMZ-LFZZHCOGSA-N	401.416	-0.697	70	20	HBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(S(=O)(=O)Cc2ccon2)CC1	1354470113	VYKHMOKCICHSGZ-UHFFFAOYSA-N	406.417	-0.051	70	20	HBID	
O=C(N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	969329227	OFLAAEUGRLTYGM-FVPRTTFKSA-N	413.427	-0.602	70	20	HBID	
O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)c1cc(S(=O)(=O)F)c[nH]1	1346342465	WERLUACDXMBFJG-UHFFFAOYSA-N	410.431	-0.068	70	20	HBID	
Cn1cc(S(=O)(=O)NCC(=O)N2CCN(CC(F)(F)C(F)F)CC2)cn1	217195888	GTGWLIZMQUHUHW-UHFFFAOYSA-N	401.386	-0.257	70	20	HBID	
CN(C)c1nc(N)nc(CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1	217098427	YHMYSNGJOAWGJH-UHFFFAOYSA-N	401.500	-0.093	70	20	HBID	
O=C(CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1)Nc1nncs1	1520866279	VPDDVKZSPCNLHP-UHFFFAOYSA-N	402.433	-0.079	70	20	HBID	
CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1263791268	NXEVTIDAHFKQCA-UHFFFAOYSA-N	416.478	-0.597	70	20	HBID	
O=C(Nc1cncc(OS(=O)(=O)F)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	2088594934	MUIDSQRWFJUOQD-MWLCHTKSSA-N	421.428	-0.351	70	20	HBID	
NS(=O)(=O)c1ccc(NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nc1	771831920	SUXVJKFDSDJBQJ-UHFFFAOYSA-N	410.430	-0.307	70	20	HBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1	1121032599	UMJMPOYKGSOVSL-NSHDSACASA-N	409.461	-0.061	70	20	HBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1	1121032598	UMJMPOYKGSOVSL-LLVKDONJSA-N	409.461	-0.061	70	20	HBID	
O=C(N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1O)[C@@H]1C[C@H]2CC[C@@H]1O2	970846609	QOAOIASBVQRUSX-ZLMWFLMHSA-N	401.416	-0.458	70	20	HBID	
O=C(Nc1cncc(OS(=O)(=O)F)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	2088594932	MUIDSQRWFJUOQD-GXSJLCMTSA-N	421.428	-0.351	70	20	HBID	
COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1520864895	DNWQORNKHWEBPA-GFCCVEGCSA-N	404.464	-0.028	70	20	HBID	
O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)[C@H]1CCS(=O)(=O)C1	771831987	VMTSGURWVGVOFM-QMMMGPOBSA-N	400.431	-0.911	70	20	HBID	
O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)[C@@H]1CCc2nncn2C1	793448872	VVAHKCOSCKSHBZ-SECBINFHSA-N	403.417	-0.492	70	20	HBID	
O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)[C@@H]1CCS(=O)(=O)C1	771831986	VMTSGURWVGVOFM-MRVPVSSYSA-N	400.431	-0.911	70	20	HBID	
O=C(N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	1024915996	OFLAAEUGRLTYGM-AYLJWORCSA-N	413.427	-0.602	70	20	HBID	
O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)[C@H]1CCc2nncn2C1	848946022	IORFKOBDBPTWPB-VIFPVBQESA-N	403.417	-0.492	70	20	HBID	
O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)N[C@@H]1CCS(=O)(=O)C1	780379443	IANDTWYVLXLETF-MRVPVSSYSA-N	415.446	-0.976	70	20	HBID	
O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)N[C@H]1CCS(=O)(=O)C1	780379447	IANDTWYVLXLETF-QMMMGPOBSA-N	415.446	-0.976	70	20	HBID	
O=C(Nc1cncc(OS(=O)(=O)F)c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	2088594935	MUIDSQRWFJUOQD-ONGXEEELSA-N	421.428	-0.351	70	20	HBID	
O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)[C@@H]1CCc2nncn2C1	848946021	IORFKOBDBPTWPB-SECBINFHSA-N	403.417	-0.492	70	20	HBID	
Cn1c(CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc(=O)n(C)c1=O	217494059	LRCGFMDDTQJAPO-UHFFFAOYSA-N	402.480	-0.529	70	20	HBID	
O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	780382585	IYCKVPMNBQFXRA-UHFFFAOYSA-N	405.385	-0.323	70	20	HBID	
O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1O)c1cc(S(=O)(=O)F)c[nH]1	970678100	FEMQNQGPEPPCTB-ZLMWFLMHSA-N	401.416	-0.458	70	20	HBID	
O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)[C@H]1CCS(=O)(=O)C1	780370895	UFJVNRWPBYJGAQ-QMMMGPOBSA-N	400.431	-0.911	70	20	HBID