smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCN(CC)C(=O)c1ccc([B-](F)(F)F)cc1	169746042	HTROAWGOOMQABF-UHFFFAOYSA-N	244.045	2.223	70	50	BEIA	in-vitro
O=S(=O)(Cl)CCc1c(F)cccc1F	156940509	FUFBQWQNKRRDEH-UHFFFAOYSA-N	240.658	2.076	70	50	BEIA	
O=S(=O)(F)Oc1ccc2c(c1)CCCCN2	1875390003	GUZNHWWBHPTEEU-UHFFFAOYSA-N	245.275	2.028	70	50	BEIA	
O=S(=O)(F)Cc1cccc(Cl)c1	258006936	GYDPZDHCJMBODC-UHFFFAOYSA-N	208.641	2.139	70	50	BEIA	
OC[C@@H]1CCCN(C[C@@H]2CC=CCC2)C1	218306390	ZTSREBCMQWCTRO-CHWSQXEVSA-N	209.333	2.047	70	50	BEIA	
O=S(=O)(F)c1cc(F)cc(Cl)c1	238854979	PZVMNNOCQXZTAI-UHFFFAOYSA-N	212.604	2.137	70	50	BEIA	
CC(C)Oc1cc(=O)[nH]c2ccccc12	217431594	MWSMGUSWPWUZCA-UHFFFAOYSA-N	203.241	2.315	70	50	BEIA	
CC1(C)[C@@H]2CC[C@H]1[C@@H](S(=O)(=O)F)C2	1857785581	ZFTHFYRMVIIYEF-CSMHCCOUSA-N	206.282	2.110	70	50	BEIA	
CC(C)c1ccc(S(=O)(=O)F)cc1	105395760	OAEGHLYWVJNQGT-UHFFFAOYSA-N	202.250	2.468	70	50	BEIA	
CN(C)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F	159816330	RIGXHKDOSIIYQD-PSASIEDQSA-N	225.238	2.157	70	50	BEIA	
Cc1cc(F)c(C=O)cc1[B-](F)(F)F	216709137	JJUNCRZPVHLMQM-UHFFFAOYSA-N	204.939	2.001	70	50	BEIA	
COc1cc([B-](F)(F)F)ccc1Cl	211425841	QPTGUQMDSGPVPY-UHFFFAOYSA-N	209.383	2.403	70	50	BEIA	
CSc1cccc(OS(=O)(=O)F)c1	1875375868	QMXXOJWAJDRIMD-UHFFFAOYSA-N	222.262	2.002	70	50	BEIA	
Cc1ccc(C(=O)CN)c(C)c1Br	217116182	QYLWSMKMXWMXFJ-UHFFFAOYSA-N	242.116	2.207	70	50	BEIA	
COc1nccc([B-](F)(F)F)c1C(F)(F)F	170177799	QFGOCJXAGBPCRB-UHFFFAOYSA-N	243.923	2.163	70	50	BEIA	
O=S(=O)(Oc1ccccc1F)C(F)(F)F	114570723	QQHVKUUJFNKEAG-UHFFFAOYSA-N	244.165	2.054	70	50	BEIA	
Cc1c(F)ccc(S(=O)(=O)Cl)c1F	100555803	QIXBRAHDJLFTRQ-UHFFFAOYSA-N	226.631	2.201	70	50	BEIA	
COc1ccccc1OC(=O)CCCl	167543090	BICBSZSOQRDEOD-UHFFFAOYSA-N	214.648	2.230	70	50	BEIA	
Cc1ccc(S(=O)(=O)Cl)cc1C	59681397	DNMQPRPJIWTNAX-UHFFFAOYSA-N	204.678	2.231	70	50	BEIA	in-vitro
CCOC(CCCCC[SiH3])(OCC)OCC	1307286755	YODNNXAZYQVKOM-UHFFFAOYSA-N	248.439	2.094	70	50	BEIA	
Cn1ccc2cccc(S(=O)(=O)Cl)c21	100009159	DVEZDWQOMVECCI-UHFFFAOYSA-N	229.688	2.106	70	50	BEIA	in-vitro
Cc1cc(S(=O)(=O)F)c(Cl)cc1F	675066159	XXAYOAMWWJYSFM-UHFFFAOYSA-N	226.631	2.446	70	50	BEIA	
C[C@@H](c1ccc(F)cc1)S(=O)(=O)F	757183341	OETZFKJXYBEOPN-LURJTMIESA-N	206.213	2.186	70	50	BEIA	
O=S(=O)(F)CC[C@@H]1CCc2ccccc21	675066417	OMSZQWIQRDBXCD-JTQLQIEISA-N	228.288	2.406	70	50	BEIA	
Cc1ccccc1[C@@H](C)CC(=O)N1CC[C@@H](N)C1	160215710	CYNAYGVNCHCDDS-QWHCGFSZSA-N	246.354	2.048	70	50	BEIA	
O=S(=O)(Cl)c1ccc(Cl)c(F)c1	59338621	RFNFVLMVKPVCRW-UHFFFAOYSA-N	229.059	2.407	70	50	BEIA	in-vitro
Cc1nc(Cl)sc1S(=O)(=O)Cl	100013868	IBMLFZUEKAQELM-UHFFFAOYSA-N	232.113	2.032	70	50	BEIA	in-vitro
O=S(=O)(Cl)Cc1ccccc1Cl	59681446	CHPZYFXSICSCNY-UHFFFAOYSA-N	225.096	2.409	70	50	BEIA	in-vitro
Cn1ccc2c(S(=O)(=O)Cl)cccc21	100031445	HFWFOJFQXZBLAU-UHFFFAOYSA-N	229.688	2.106	70	50	BEIA	in-vitro
Cc1cccc(OS(=O)(=O)C(F)(F)F)c1	113241862	JKQWRNLLUVAYLV-UHFFFAOYSA-N	240.202	2.223	70	50	BEIA	
O=S(=O)(F)c1ccc(Cl)cc1F	143866905	LWAIUOCPJVOAMO-UHFFFAOYSA-N	212.604	2.137	70	50	BEIA	
O=S(=O)(Cl)/C=C\c1ccccc1	100050118	ONWRSBMOCIQLRK-SREVYHEPSA-N	202.662	2.226	70	50	BEIA	
Cc1c(Cl)cccc1S(=O)(=O)F	149883775	WCJWNLYVEWUAFI-UHFFFAOYSA-N	208.641	2.307	70	50	BEIA	
CC(C)[SiH](c1ccc(CO)cc1)C(C)C	169824675	MPZFTIXZOMTYQQ-UHFFFAOYSA-N	222.404	2.433	70	50	BEIA	
Cc1cc(S(=O)(=O)Cl)ccc1F	59681311	ALEQALYEZFNWOP-UHFFFAOYSA-N	208.641	2.062	70	50	BEIA	in-vitro
CC(C)(C)C[C@H](CO)Nc1ccccn1	161423111	NHJAOESEPSRUTE-SNVBAGLBSA-N	208.305	2.291	70	50	BEIA	
O=S(=O)(Cl)c1ccc(F)c(F)c1F	95676930	XFTDZYFHXRZLEF-UHFFFAOYSA-N	230.594	2.031	70	50	BEIA	in-vitro
Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CN)cc1	161234568	BIRGLZHIHITJAN-WFASDCNBSA-N	246.354	2.253	70	50	BEIA	
Cc1ccc(S(=O)(=O)Cl)c(F)c1	95676662	SDBFDPOFXLVGQF-UHFFFAOYSA-N	208.641	2.062	70	50	BEIA	in-vitro
C[Si](C)(C)I	169743066	CSRZQMIRAZTJOY-UHFFFAOYSA-N	200.095	2.256	70	50	BEIA	
CCOc1ccc([B-](F)(F)F)cc1[N+](=O)[O-]	170018653	BITMJUGGYCFATQ-UHFFFAOYSA-N	233.962	2.048	70	50	BEIA	
O=S(=O)(F)C1=Cc2ccccc2CC1	238853877	LMWHKYCBVCCYRU-UHFFFAOYSA-N	212.245	2.273	70	50	BEIA	
O=S(=O)(Cl)c1ccc2c(c1)CCCC2	100003670	FNEIMPFRVQQOMV-UHFFFAOYSA-N	230.716	2.493	70	50	BEIA	in-vitro
Cc1ccc(CN(C)C(=O)Cc2cccnc2)o1	218635621	MHYLLFUUTYBDCL-UHFFFAOYSA-N	244.294	2.184	70	50	BEIA	
COc1cc(C)c(S(=O)(=O)Cl)cc1C	59681377	RGOCLWBHRMQADB-UHFFFAOYSA-N	234.704	2.240	70	50	BEIA	
COc1ccc(S(=O)(=O)Cl)cc1Cl	59654527	UMTPXDWZAKJPNY-UHFFFAOYSA-N	241.095	2.276	70	50	BEIA	in-vitro
CCN(C1CCCCC1)S(=O)(=O)Cl	100501472	BRDCOXLJAUYXRI-UHFFFAOYSA-N	225.741	2.125	70	50	BEIA	
O=S(=O)(F)Oc1ccc(C(F)(F)F)cc1	1875374299	JIPIPFSVXLVHKY-UHFFFAOYSA-N	244.165	2.299	70	50	BEIA	
O=S(=O)(Cl)c1ccc(F)c(Cl)c1	59796772	DXFXNSNBZNELII-UHFFFAOYSA-N	229.059	2.407	70	50	BEIA	in-vitro
Cc1cc2c(S(=O)(=O)Cl)cccc2cn1	100025039	QLIQMMPZJXCVPK-UHFFFAOYSA-N	241.699	2.471	70	50	BEIA	
CCOCCn1c(=N)sc2ccccc21	217429032	BCMUZMHIRGXEEX-UHFFFAOYSA-N	222.313	2.219	70	50	BEIA	
Nc1nnn(-c2ccc(F)cc2)c1C(F)(F)F	218689985	XZFQOCGSRBXSFX-UHFFFAOYSA-N	246.167	2.007	70	50	BEIA	
O=S(=O)(F)Oc1cccc2ccccc12	196577574	GEZWNEDYJCOWLU-UHFFFAOYSA-N	226.228	2.433	70	50	BEIA	
O=S(=O)(F)c1ccc(Cl)s1	105395314	XZQCGAGVTAESGC-UHFFFAOYSA-N	200.643	2.060	70	50	BEIA	
O=S(=O)(F)c1cccc(C(F)(F)F)c1	149994331	XVDQMADDVVHZNM-UHFFFAOYSA-N	228.166	2.364	70	50	BEIA	
CCCC(=O)Nc1ccc([B-](F)(F)F)cc1	169808936	VZPPQLFBMKAXQM-UHFFFAOYSA-N	230.018	2.480	70	50	BEIA	
COc1ccc(Cl)c([B-](F)(F)F)c1	203317137	UAQSBMFKHHVEON-UHFFFAOYSA-N	209.383	2.403	70	50	BEIA	
Cc1ccc(F)cc1S(=O)(=O)Cl	95713652	NPEWBMJAUUSBLE-UHFFFAOYSA-N	208.641	2.062	70	50	BEIA	in-vitro
CC(C)c1cc(C#N)ccc1OS(=O)(=O)F	1875389985	CFVSSNVIBGUIEI-UHFFFAOYSA-N	243.259	2.275	70	50	BEIA	
Brc1cnn2c1OCC1(CCC1)C2	217475625	WSTOVXHEVKXNLO-UHFFFAOYSA-N	243.104	2.208	70	50	BEIA	
Cc1cnc2c(S(=O)(=O)Cl)cccc2c1	72400067	XCMAYGDQKTWICK-UHFFFAOYSA-N	241.699	2.471	70	50	BEIA	in-vitro
Cc1nc2ccc(S(=O)(=O)F)cc2s1	675065552	KGMSYUNLZDVJNX-UHFFFAOYSA-N	231.273	2.263	70	50	BEIA	
C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)F	1875375029	OOTAWQURURQIDD-ZETCQYMHSA-N	235.255	2.033	70	50	BEIA	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)[C@@H](C)N)C1	161289617	ZYJWGKORXCVAQI-XQQFMLRXSA-N	246.354	2.047	70	50	BEIA	
O=S(=O)(Cl)c1ccccc1C1CC1	725665696	NYBACMNBYNBVCQ-UHFFFAOYSA-N	216.689	2.492	70	50	BEIA	
O=C(c1cc(Cl)ccn1)[B-](F)(F)F	585091569	GHJJLLIPZWRPLJ-UHFFFAOYSA-N	208.355	2.304	70	50	BEIA	
COc1c(Br)cc(O)c(F)c1F	217086700	WYWZBPOFHTYFFA-UHFFFAOYSA-N	239.015	2.442	70	50	BEIA	
CSc1ccccc1S(=O)(=O)Cl	100503076	ALICADXOSCQKJD-UHFFFAOYSA-N	222.718	2.336	70	50	BEIA	in-vitro
Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CN)cc1	161234319	BIRGLZHIHITJAN-DOMZBBRYSA-N	246.354	2.253	70	50	BEIA	
O=S(=O)(Cl)c1ccc(Cl)cc1F	95676599	ZFZRENUEJCOCRE-UHFFFAOYSA-N	229.059	2.407	70	50	BEIA	in-vitro
CCOc1ccc(C)cc1S(=O)(=O)Cl	100153521	UXIMQTGBQKUZAN-UHFFFAOYSA-N	234.704	2.321	70	50	BEIA	
O=S(=O)(Cl)c1ccc2c(c1)CCC2	100003056	SWLIXMXSCZYVTQ-UHFFFAOYSA-N	216.689	2.103	70	50	BEIA	in-vitro
Fc1ccc2c([B-](F)(F)F)cncc2c1	1848350332	XHSBJAXXVZOOBW-UHFFFAOYSA-N	213.950	2.428	70	50	BEIA	
Clc1ccccc1C[SiH2]c1ccccc1	169817673	GTGRTKFZCSKAFN-UHFFFAOYSA-N	232.786	2.334	70	50	BEIA	
O=S(=O)(Cl)c1ccccc1Cl	59796726	KMVZDSQHLDGKGV-UHFFFAOYSA-N	211.069	2.268	70	50	BEIA	in-vitro
F[B-](F)(F)c1cc(-c2ccccc2)n[nH]1	169995720	ILSNNCUYNGZXLM-UHFFFAOYSA-N	210.975	2.131	70	50	BEIA	
COc1cc(C2(N)CC2)ccc1Br	217116462	BYFAZJJWNGPXFL-UHFFFAOYSA-N	242.116	2.406	70	50	BEIA	
Cc1ccc(S(=O)(=O)F)cc1CCl	685947648	YHZTULIGBYQYRQ-UHFFFAOYSA-N	222.668	2.392	70	50	BEIA	
O=S(=O)(F)Oc1ccccc1CC1CC1	1875390004	HCPILRRILHSPIA-UHFFFAOYSA-N	230.260	2.232	70	50	BEIA	
Cc1ccccc1[C@H](C)CC(=O)N1CC[C@@H](N)C1	160215841	CYNAYGVNCHCDDS-CHWSQXEVSA-N	246.354	2.048	70	50	BEIA	
COc1ccc(S(=O)(=O)F)c(C(F)F)c1	958678327	PLKOLBJKMAPTPE-UHFFFAOYSA-N	240.202	2.291	70	50	BEIA	
CC1CCN(C(=O)CC[B-](F)(F)F)CC1	396141820	NLGZEYYFRWJJQI-UHFFFAOYSA-N	222.039	2.482	70	50	BEIA	
O=S(=O)(Cl)c1cc(F)cc(Cl)c1	100162153	DMJUAPPEXOKHSW-UHFFFAOYSA-N	229.059	2.407	70	50	BEIA	in-vitro
O=S(=O)(F)CC[C@H]1CCc2ccccc21	675066418	OMSZQWIQRDBXCD-SNVBAGLBSA-N	228.288	2.406	70	50	BEIA	
CC(=O)c1c(C)cc(C)cc1OS(=O)(=O)F	1875374212	FUINJWZBEAIIMY-UHFFFAOYSA-N	246.259	2.099	70	50	BEIA	
O=S(=O)(F)c1ccc(F)cc1Cl	238855271	RDKDHUAQLUVUHQ-UHFFFAOYSA-N	212.604	2.137	70	50	BEIA	
COc1cc(NC(=O)N2CCCC2)ccc1F	160231081	HPKCMHIPSUZYRT-UHFFFAOYSA-N	238.262	2.462	70	50	BEIA	
CC(C)[C@@H]1CC(=O)Oc2cc3c(cc21)OCO3	217782854	JMZBKLGEKCSVGF-QMMMGPOBSA-N	234.251	2.464	70	50	BEIA	biogenic
COc1ccc(S(=O)(=O)F)c(CCl)c1	1775956586	OPWRJLVTFIVFBM-UHFFFAOYSA-N	238.667	2.092	70	50	BEIA	
CN(C)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F	159816731	RIGXHKDOSIIYQD-WPRPVWTQSA-N	225.238	2.157	70	50	BEIA	
O=S(=O)(F)c1ccc(Cl)c(F)c1	675065393	DAWPREQFUUFIGV-UHFFFAOYSA-N	212.604	2.137	70	50	BEIA	
O=S(=O)(Cl)c1ccc(Cl)s1	59681298	SORSTNOXGOXWAO-UHFFFAOYSA-N	217.098	2.329	70	50	BEIA	in-vitro
COc1ccc(Cl)cc1S(=O)(=O)Cl	95713613	FCJGLIMDVOTBLO-UHFFFAOYSA-N	241.095	2.276	70	50	BEIA	in-vitro
O=S(=O)(Cl)c1cc(-c2ccno2)cs1	100291649	BJBJAMREHYSGCC-UHFFFAOYSA-N	249.700	2.331	70	50	BEIA	in-vitro
Cc1nn(C(C)C)c(C)c1S(=O)(=O)Cl	100094852	SQDVWKASBVFCQE-UHFFFAOYSA-N	236.724	2.008	70	50	BEIA	in-vitro
Cc1cc(S(=O)(=O)Cl)cc([N+](=O)[O-])c1C	100499578	LCWYOBCPIMJWSV-UHFFFAOYSA-N	249.675	2.139	70	50	BEIA	
O=S(=O)(F)/C=C/c1ccc(F)cc1	252538775	NHPUDAOXEBLXOM-AATRIKPKSA-N	204.197	2.096	70	50	BEIA	
O=S(=O)(F)C1=Cc2ccccc2OCC1	675065722	NEOXFBLUXLXDTE-UHFFFAOYSA-N	228.244	2.109	70	50	BEIA	
Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1	100013940	XXSBXVHIYGQWDV-UHFFFAOYSA-N	240.202	2.223	70	50	BEIA	in-vitro
CCCc1ccc(S(=O)(=O)F)cc1	105395763	QUANWRLXHIFDCR-UHFFFAOYSA-N	202.250	2.297	70	50	BEIA	
O=S(=O)(Cl)c1cccc(OC(F)F)c1	59796758	VKSMJFRQQMGYHS-UHFFFAOYSA-N	242.630	2.216	70	50	BEIA	in-vitro
Cc1cccc(CS(=O)(=O)Cl)c1	59681451	ICTNKQWSHVQWGK-UHFFFAOYSA-N	204.678	2.064	70	50	BEIA	in-vitro
Cc1c(S(=O)(=O)Cl)ccc(F)c1F	263624449	QOODHWMEMMTQBH-UHFFFAOYSA-N	226.631	2.201	70	50	BEIA	
O=S(=O)(Cl)c1cc(Cl)ccc1F	95676709	OZKAHSNNKADHTK-UHFFFAOYSA-N	229.059	2.407	70	50	BEIA	in-vitro
Cc1ccc(F)c(S(=O)(=O)Cl)c1	59681442	MOZTWWZAQLPJMT-UHFFFAOYSA-N	208.641	2.062	70	50	BEIA	in-vitro
O=S(=O)(Cl)CC[C@H]1C[C@H]2CC[C@H]1C2	156936882	BOYOENMDTZTPPR-CIUDSAMLSA-N	222.737	2.381	70	50	BEIA	
O=S(=O)(F)c1ccc(Cl)nc1Cl	238856381	VVZGLRMVCMWUJE-UHFFFAOYSA-N	230.047	2.047	70	50	BEIA	
CC1(n2cc(Br)cn2)CC1	217694070	IURKSULHIVAFQM-UHFFFAOYSA-N	201.067	2.155	70	50	BEIA	
O=S(=O)(Cl)/C=C/c1ccccc1	95736044	ONWRSBMOCIQLRK-VOTSOKGWSA-N	202.662	2.226	70	50	BEIA	in-vitro
CC(C)(C)OC(=O)N1CC([B-](F)(F)F)C1	205583961	YLEBDYTXMGVBKQ-UHFFFAOYSA-N	224.011	2.455	70	50	BEIA	in-vitro
Cc1nn(C2CCCC2)cc1S(=O)(=O)Cl	100777557	OAVGZEJCZUVDQN-UHFFFAOYSA-N	248.735	2.234	70	50	BEIA	
Cc1cc(C)cc(S(=O)(=O)Cl)c1	95707977	LSAGRAXLOLZVKO-UHFFFAOYSA-N	204.678	2.231	70	50	BEIA	in-vitro
CCO[C@H](C)C(=O)Nc1cc(C2CC2)nc(C)n1	159996987	WXGOVSYGNGVYQX-MRVPVSSYSA-N	249.314	2.026	70	50	BEIA	
Cc1ccc(/C=C/S(=O)(=O)F)cc1	299805517	RVGPUPOFFYNUAC-VOTSOKGWSA-N	200.234	2.265	70	50	BEIA	
O=S(=O)(Cl)c1ccc(Cl)nc1Cl	59796865	OCZHXCDELJNNNS-UHFFFAOYSA-N	246.502	2.316	70	50	BEIA	
O=S(=O)(Cl)c1cccc2cncc(F)c12	100038478	UZUCKWMDQGESLP-UHFFFAOYSA-N	245.662	2.301	70	50	BEIA	
CC(C)CN(CC(C)C)S(=O)(=O)Cl	100552864	CFTXQYYCUYPIKX-UHFFFAOYSA-N	227.757	2.084	70	50	BEIA	
O=S(=O)(F)c1sccc1Br	238833232	AFWKFASXLKKAFR-UHFFFAOYSA-N	245.094	2.169	70	50	BEIA	
F[B-](F)(F)c1cccnc1C(F)(F)F	170177446	IKEAVGMVGBTOFI-UHFFFAOYSA-N	213.897	2.155	70	50	BEIA	
Cc1ccc(B(O)c2ccc(C)c(C)c2)cc1C	169747450	RLUUJGCHAAXMFW-UHFFFAOYSA-N	238.139	2.018	70	50	BEIA	
Nc1ccc2cc(OS(=O)(=O)F)ccc2c1	1857780088	HTKFQESDYSHEKI-UHFFFAOYSA-N	241.243	2.015	70	50	BEIA	
Cn1ccc2ccc(S(=O)(=O)Cl)cc21	114603427	NNIPJCDUMHKFGJ-UHFFFAOYSA-N	229.688	2.106	70	50	BEIA	in-vitro
O=S(=O)(F)c1ccc(-c2cnco2)s1	675063466	FRYKDICSMPZHME-UHFFFAOYSA-N	233.245	2.061	70	50	BEIA	
O=S(=O)(Cl)c1ccc(C2CC2)cc1	100026597	QCHUBTJEGZWBFJ-UHFFFAOYSA-N	216.689	2.492	70	50	BEIA	in-vitro
O=S(=O)(F)c1ccccc1C(F)(F)F	103621353	ZGHIWBACRZVGLY-UHFFFAOYSA-N	228.166	2.364	70	50	BEIA	
O=C(CCl)NC/C=C/c1ccccc1	168087119	WMKDMUZAJVWCMI-QPJJXVBHSA-N	209.676	2.055	70	50	BEIA	
COc1cccc(Cl)c1[B-](F)(F)F	238373983	YXQCLATWNSXHJD-UHFFFAOYSA-N	209.383	2.403	70	50	BEIA	
F[B-](F)(F)c1ccc2c(c1)CCCO2	169807976	FWCOELSFAOWBQJ-UHFFFAOYSA-N	200.976	2.066	70	50	BEIA	
Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CN)cc1	161234442	BIRGLZHIHITJAN-IUODEOHRSA-N	246.354	2.253	70	50	BEIA	
Cc1cc(S(=O)(=O)F)c2ncccc2c1	675063337	CLDDLOYHGALEQX-UHFFFAOYSA-N	225.244	2.201	70	50	BEIA	
CCCCN(CCCC)S(=O)(=O)Cl	97949400	VMJGICXHKZERPD-UHFFFAOYSA-N	227.757	2.372	70	50	BEIA	in-vitro
O=C(NC[B-](F)(F)F)OCc1ccccc1	208327586	XGCJBRGUALHEOZ-UHFFFAOYSA-N	231.990	2.299	70	50	BEIA	
CSc1ccc(S(=O)(=O)Cl)cc1	100000490	ZCCHKGQZUSPUGJ-UHFFFAOYSA-N	222.718	2.336	70	50	BEIA	in-vitro
Cc1ccc(/C=C\S(=O)(=O)F)cc1	314195432	RVGPUPOFFYNUAC-SREVYHEPSA-N	200.234	2.265	70	50	BEIA	
Fc1ncc(Br)cc1[B-](F)(F)F	169989953	CJQBRKDBOKLOIY-UHFFFAOYSA-N	242.786	2.038	70	50	BEIA	
Cc1ccc(CS(=O)(=O)F)cc1C	675063356	QXYTXICDVKRRHI-UHFFFAOYSA-N	202.250	2.103	70	50	BEIA	
CCc1ccc(S(=O)(=O)Cl)s1	100146623	DTRJLPLCPLOEHO-UHFFFAOYSA-N	210.707	2.238	70	50	BEIA	in-vitro
O=S(=O)(Cl)CCCCC(F)(F)F	100554818	UBXGNBBPHWQKJR-UHFFFAOYSA-N	224.631	2.288	70	50	BEIA	
Cc1cc(F)cc(S(=O)(=O)Cl)c1	100550881	NVUHCPPLBJCKCJ-UHFFFAOYSA-N	208.641	2.062	70	50	BEIA	in-vitro
Cc1cc(F)c(F)c(S(=O)(=O)Cl)c1	263623701	JWDHHJCCCXGZNR-UHFFFAOYSA-N	226.631	2.201	70	50	BEIA	
CC(C)c1cccc(S(=O)(=O)F)c1	206567773	GFODGZUQXRATAR-UHFFFAOYSA-N	202.250	2.468	70	50	BEIA	
O=S(=O)(Cl)Cc1ccc(Cl)cc1	59681315	DBJRPJSDYFDWPV-UHFFFAOYSA-N	225.096	2.409	70	50	BEIA	in-vitro
Cc1ccc(C(=O)NC[B-](F)(F)F)cc1	208326484	ARTQIUDHFNKMFV-UHFFFAOYSA-N	215.991	2.111	70	50	BEIA	
c1nc(N[C@@H]2C[C@@H]3OCC[C@@H]32)c2ccsc2n1	217582478	WYXNNPLANHYVJK-QNSHHTMESA-N	247.323	2.281	70	50	BEIA	
O=S(=O)(F)Cc1cc(F)ccc1Cl	675065236	DWQHSYYRPGXWLC-UHFFFAOYSA-N	226.631	2.278	70	50	BEIA	
Cc1ccccc1OS(=O)(=O)C(F)(F)F	143794549	RBOGJRXPKONDGC-UHFFFAOYSA-N	240.202	2.223	70	50	BEIA	
O=S(=O)(F)c1coc2ccccc12	725268740	KSMQIMVYJFHMKN-UHFFFAOYSA-N	200.190	2.091	70	50	BEIA	
CC(=O)OCC[Si](Cl)(Cl)Cl	195767106	DPFKBFAYVWIVRK-UHFFFAOYSA-N	221.543	2.205	70	50	BEIA	
COCCn1c(=N)sc2c(C)cc(C)cc21	217430210	NFVVXGIITHJZTM-UHFFFAOYSA-N	236.340	2.446	70	50	BEIA	
COc1cc(C)c(S(=O)(=O)Cl)c(C)c1	59337395	FARJAHHRGCAAOY-UHFFFAOYSA-N	234.704	2.240	70	50	BEIA	in-vitro
O=S(=O)(F)c1cccc(Br)c1	100016968	LELPUBDFQNSHLE-UHFFFAOYSA-N	239.065	2.107	70	50	BEIA	in-vitro
F[B-](F)(F)C1=CCC2(CC1)OCCO2	238700934	GFTNDSYMHMGTAH-UHFFFAOYSA-N	206.980	2.226	70	50	BEIA	
O=S(=O)(F)c1ccccc1Br	100216069	CVLBPNVZAWKPFN-UHFFFAOYSA-N	239.065	2.107	70	50	BEIA	
O=S(=O)(Cl)CC[C@@H]1C[C@H]2CC[C@H]1C2	252751640	BOYOENMDTZTPPR-XHNCKOQMSA-N	222.737	2.381	70	50	BEIA	
COc1ccc(Cl)c(S(=O)(=O)Cl)c1	100508009	MEAYPBQBXNTXBT-UHFFFAOYSA-N	241.095	2.276	70	50	BEIA	
Cc1cc(-c2ccc(S(=O)(=O)Cl)o2)on1	100104749	HAAGKUCFHFJVMM-UHFFFAOYSA-N	247.659	2.171	70	50	BEIA	in-vitro
CC(C)Oc1cccc(OS(=O)(=O)F)c1	1875390021	KWKIKKCJUGEEAX-UHFFFAOYSA-N	234.248	2.067	70	50	BEIA	
O=S(=O)(Cl)c1cnc(Cl)c(Cl)c1	100025470	AXIWIKRWIWIPGT-UHFFFAOYSA-N	246.502	2.316	70	50	BEIA	
CCCCCOCC(=O)NC1CC=CC1	160982752	PWIARKSPFLGGJO-UHFFFAOYSA-N	211.305	2.028	70	50	BEIA	
O=S(=O)(Cl)c1ccc(F)cc1Cl	95713669	FCFPJKHVCHKCMP-UHFFFAOYSA-N	229.059	2.407	70	50	BEIA	in-vitro
COc1cc(C)c(C)cc1S(=O)(=O)Cl	59681381	FQEJULWDCYVGCA-UHFFFAOYSA-N	234.704	2.240	70	50	BEIA	in-vitro
O=S(=O)(Oc1cccc(F)c1)C(F)(F)F	114575766	LKAKRVBLXMUOHC-UHFFFAOYSA-N	244.165	2.054	70	50	BEIA	
O[C@@H]1[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2	217215943	MNSAONVBUPKIOD-ZSHCYNCHSA-N	245.366	2.322	70	50	BEIA	
O=S(=O)(F)c1ncc(Cl)cc1Cl	306400566	OJBWJLXXWMCQGA-UHFFFAOYSA-N	230.047	2.047	70	50	BEIA	
O=S(=O)(Cl)C1(c2ccccc2)CC1	100111880	LYYCQAQCTDHPOK-UHFFFAOYSA-N	216.689	2.244	70	50	BEIA	in-vitro
Cc1ccc(C[C@@H](C)N(C)S(=O)(=O)F)cc1	1875374887	IMODKAKXIMZHMD-SNVBAGLBSA-N	245.319	2.072	70	50	BEIA	
O=S(=O)(F)Oc1ccccc1C(F)(F)F	1875389986	CLAAIZULFGQICG-UHFFFAOYSA-N	244.165	2.299	70	50	BEIA	
N#Cc1ccc(Cl)cc1S(=O)(=O)Cl	100013786	PHNDFODTTWOSSX-UHFFFAOYSA-N	236.079	2.139	70	50	BEIA	in-vitro
CCO[C@@H](C)C(=O)Nc1cc(C2CC2)nc(C)n1	159996832	WXGOVSYGNGVYQX-QMMMGPOBSA-N	249.314	2.026	70	50	BEIA	
CCOCc1c(C)[nH]c2ccccc2c1=O	217428641	VCBSUAJHMHNRGZ-UHFFFAOYSA-N	217.268	2.373	70	50	BEIA	
CCOCCn1c(=N)sc2cc(F)ccc21	217429143	GUVROLYCNYPHIA-UHFFFAOYSA-N	240.303	2.358	70	50	BEIA	
COc1ccc(S(=O)(=O)Cl)c(C)c1C	100150612	WYOJSJPQGYIIIR-UHFFFAOYSA-N	234.704	2.240	70	50	BEIA	
N#Cc1ccc([B-](F)(F)F)cc1Cl	252478575	APSLHIFRTOITTR-UHFFFAOYSA-N	204.367	2.266	70	50	BEIA	
O=Cc1ccc(Cl)c(S(=O)(=O)Cl)c1	1857784478	DBELTFXMFBRHAD-UHFFFAOYSA-N	239.079	2.080	70	50	BEIA	
O=S(=O)(F)c1ccc(C2CC2)cc1F	1772718121	TWVXXBXJMRPTAY-UHFFFAOYSA-N	218.224	2.361	70	50	BEIA	
O=S(=O)(Cl)c1ccc(-c2cnco2)cc1	95681630	QCGUTLAPXWBIMM-UHFFFAOYSA-N	243.671	2.269	70	50	BEIA	
CC[C@@H](SC)c1nc([C@H]2CCOC2)no1	161383299	DKQKOVRAFWRBKO-JGVFFNPUSA-N	228.317	2.388	70	50	BEIA	
Cc1ccc(C(=O)OCc2cncs2)o1	159576044	GEYWOERYDCMUKY-UHFFFAOYSA-N	223.253	2.402	70	50	BEIA	
O=S(=O)(Cl)Cc1cccc(Cl)c1	59681341	LXTGNVLBPVVMSL-UHFFFAOYSA-N	225.096	2.409	70	50	BEIA	in-vitro
Cc1cc(S(=O)(=O)Cl)cc(F)c1F	263624124	NQCIHNUONUIJPF-UHFFFAOYSA-N	226.631	2.201	70	50	BEIA	
Cc1cc(F)ccc1S(=O)(=O)Cl	95676648	XLPGWKNCWMFHOD-UHFFFAOYSA-N	208.641	2.062	70	50	BEIA	in-vitro
Cc1ccc(CS(=O)(=O)F)c(C)c1	757071354	ZKSPLWJVIMSMDR-UHFFFAOYSA-N	202.250	2.103	70	50	BEIA	
O=S(=O)(Cl)c1ccc2ncccc2c1	72400373	AUDKCUOUBLCZQR-UHFFFAOYSA-N	227.672	2.162	70	50	BEIA	in-vitro
CC[C@H](SC)c1nc([C@@H]2CCOC2)no1	161383012	DKQKOVRAFWRBKO-SFYZADRCSA-N	228.317	2.388	70	50	BEIA	
Nc1ccc2ccc(OS(=O)(=O)F)cc2c1	1875390032	MKZDTVDPKBMVAE-UHFFFAOYSA-N	241.243	2.015	70	50	BEIA	
O=S(=O)(Cl)c1cc2ccccc2o1	95749442	RWCKBBSBRTUUHR-UHFFFAOYSA-N	216.645	2.360	70	50	BEIA	in-vitro
Cc1sc(C)c(S(=O)(=O)F)c1C	675065987	CTKUKAAABVSECY-UHFFFAOYSA-N	208.279	2.332	70	50	BEIA	
Cc1ccc(S(=O)(=O)F)cc1Cl	100254456	GMIYUPVDARXJAI-UHFFFAOYSA-N	208.641	2.307	70	50	BEIA	
O=S(=O)(Cl)c1ccc(F)c2ncccc12	59253073	WFHNJMBOSBJIPK-UHFFFAOYSA-N	245.662	2.301	70	50	BEIA	in-vitro
Cn1ccc2cc(S(=O)(=O)Cl)ccc21	100032256	UGZYASSOUPYFAI-UHFFFAOYSA-N	229.688	2.106	70	50	BEIA	in-vitro
O=S(=O)(F)c1cc(F)ccc1Cl	238855997	UMLVDPYHGSCPQY-UHFFFAOYSA-N	212.604	2.137	70	50	BEIA	
CCOc1ccc(S(=O)(=O)F)cc1OCC	675063684	KMSKTGLSKKGODW-UHFFFAOYSA-N	248.275	2.142	70	50	BEIA	
O=S(=O)(OC1=CCCCC1)C(F)(F)F	43910461	WVSCRRLWRRANJY-UHFFFAOYSA-N	230.207	2.311	70	50	BEIA	in-vitro
COc1cc(S(=O)(=O)Cl)c(C)cc1C	100153284	AMZJHRQSVQIDBS-UHFFFAOYSA-N	234.704	2.240	70	50	BEIA	
COc1cc(CN)c(F)cc1Br	216926238	ZWKIMGCYJLGJDF-UHFFFAOYSA-N	234.068	2.056	70	50	BEIA	
O=S(=O)(F)Oc1ccc(Cl)cc1F	1875390073	RJHYHKLYOVTADG-UHFFFAOYSA-N	228.603	2.072	70	50	BEIA	
CCc1nc2cc(S(=O)(=O)F)ccc2o1	675065758	OYYHPXUOPUFSQO-UHFFFAOYSA-N	229.232	2.048	70	50	BEIA	
CC(=O)Nc1ccc2c(c1)CN1CCCC1=N2	217876309	UCZBCDAAJYWAIS-UHFFFAOYSA-N	229.283	2.284	70	50	BEIA	biogenic
CC(C)(C)c1ccc(S(=O)(=O)Cl)nc1	218812991	CAZOKONKSMNYDR-UHFFFAOYSA-N	233.720	2.307	70	50	BEIA	
O=S(=O)(F)c1ccc(Br)cc1	100017625	AOXWZFUBFROIHA-UHFFFAOYSA-N	239.065	2.107	70	50	BEIA	in-vitro
O=S(=O)(Cl)c1cc(F)c(F)c(F)c1	95676601	HSEHKULCGSMHAE-UHFFFAOYSA-N	230.594	2.031	70	50	BEIA	in-vitro
Nc1cccc2cc(S(=O)(=O)F)ccc12	721406423	JRNYPRZNAXNTAC-UHFFFAOYSA-N	225.244	2.080	70	50	BEIA	
COc1cc(S(=O)(=O)Cl)ccc1Cl	100153525	RHOMFRDKCUYVOH-UHFFFAOYSA-N	241.095	2.276	70	50	BEIA	
COC(=O)CC[Si](Cl)(Cl)Cl	169898245	GHWAWUSLARFVNH-UHFFFAOYSA-N	221.543	2.205	70	50	BEIA	
Cc1cc(F)cc(F)c1S(=O)(=O)Cl	263623121	DVDCSTWPUGOJLX-UHFFFAOYSA-N	226.631	2.201	70	50	BEIA	
O=S(=O)(F)c1sccc1C1CC1	1775999718	UXMRFTYZTOFKCF-UHFFFAOYSA-N	206.263	2.284	70	50	BEIA	
O=S(=O)(Cl)Cc1cccc(S)c1	642886454	SIXKALWQFUQSNW-UHFFFAOYSA-N	222.718	2.044	70	50	BEIA	
CSc1cccc(CN(C)c2ncncn2)c1	218712115	HMRBWXAJFWXYCW-UHFFFAOYSA-N	246.339	2.230	70	50	BEIA	
C=Cc1ccc(S(=O)(=O)Cl)cc1	100038102	VHEKFTULOYIMSU-UHFFFAOYSA-N	202.662	2.257	70	50	BEIA	in-vitro
CN(C)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F	159816478	RIGXHKDOSIIYQD-SCZZXKLOSA-N	225.238	2.157	70	50	BEIA	
CC(C)[C@H]1CC(=O)Oc2cc3c(cc21)OCO3	217782930	JMZBKLGEKCSVGF-MRVPVSSYSA-N	234.251	2.464	70	50	BEIA	biogenic
CCCn1c(=N)sc2cc3c(cc21)OCO3	217430987	JYDALVAXKGHTRT-UHFFFAOYSA-N	236.296	2.321	70	50	BEIA	
CCc1ccc(S(=O)(=O)Cl)cc1	59796719	LACFLXDRFOQEFZ-UHFFFAOYSA-N	204.678	2.177	70	50	BEIA	in-vitro
O=S(=O)(Cl)c1ccc(OC(F)F)cc1	95676723	ANZLDHZFNLCQAS-UHFFFAOYSA-N	242.630	2.216	70	50	BEIA	in-vitro
O=S(=O)(Cl)c1ccc(-c2cnco2)s1	95681632	MAGTZUMWQUDWAH-UHFFFAOYSA-N	249.700	2.331	70	50	BEIA	
O=S(=O)(F)Cc1c(F)cccc1Cl	675067125	ZPIBJQBQODPXJP-UHFFFAOYSA-N	226.631	2.278	70	50	BEIA	
CC(=O)Oc1c(F)c(F)c(F)c(F)c1F	100071271	ZXTVBLZVILLKPM-UHFFFAOYSA-N	226.100	2.307	70	50	BEIA	in-vitro
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)[C@@H](C)N)C1	161289858	ZYJWGKORXCVAQI-UPJWGTAASA-N	246.354	2.047	70	50	BEIA	
Cc1nc2ccc(S(=O)(=O)Cl)cc2o1	100634620	NHBYTQPVOGBVBM-UHFFFAOYSA-N	231.660	2.064	70	50	BEIA	in-vitro
CN(C(N)=O)[C@@H](c1ccc(F)cc1)C1CC1	160785027	AZJSVFRIUUCPCK-LLVKDONJSA-N	222.263	2.287	70	50	BEIA	
O=S(=O)(Cl)Cc1cc(F)cc(F)c1	100014150	VJJZLXRMDXUBPP-UHFFFAOYSA-N	226.631	2.033	70	50	BEIA	in-vitro
Cc1cnc2c(S(=O)(=O)F)cccc2c1	253388081	BBMVHGRPYILMFY-UHFFFAOYSA-N	225.244	2.201	70	50	BEIA	
O=S(=O)(Cl)c1cc(F)ccc1Cl	100507941	IKUKZLDGZFXXNE-UHFFFAOYSA-N	229.059	2.407	70	50	BEIA	in-vitro
O=S(=O)(Cl)c1cccc(F)c1Cl	100508089	JGUJGYPYRWDTMV-UHFFFAOYSA-N	229.059	2.407	70	50	BEIA	
O=S(=O)(F)c1cccc2ccccc12	60096977	MYKMYBMCWFRCHA-UHFFFAOYSA-N	210.229	2.498	70	50	BEIA	
CO[C@H](CS(=O)(=O)Cl)C1CCCCC1	258345997	UJCJXHZWSNOHNI-SECBINFHSA-N	240.752	2.150	70	50	BEIA	
O=S(=O)(Cl)c1ccc(Cl)cc1	59699236	ZLYBFBAHAQEEQQ-UHFFFAOYSA-N	211.069	2.268	70	50	BEIA	
CCc1cc(S(=O)(=O)Cl)ccc1OC	59336500	LKFURLPDNDFSNK-UHFFFAOYSA-N	234.704	2.185	70	50	BEIA	
O=S(=O)(F)c1cc2ccccc2o1	675063562	WTYCXVZTTOBNTG-UHFFFAOYSA-N	200.190	2.091	70	50	BEIA	
CC1(C)Cc2cc(S(=O)(=O)Cl)ccc2O1	59231177	SPOYJMNDIKTIEJ-UHFFFAOYSA-N	246.715	2.328	70	50	BEIA	in-vitro
O=S(=O)(F)c1cnc(-c2ccccc2)s1	1875369094	QFRJEWSLLFCBSW-UHFFFAOYSA-N	243.284	2.468	70	50	BEIA	
O=S(=O)(F)C1(COCc2ccccc2)CC1	675066947	ZXXTXOXMSSUGDH-UHFFFAOYSA-N	244.287	2.035	70	50	BEIA	
O=C(O)c1cc(Cl)ccc1[B-](F)(F)F	216708937	WJYYWMMRPJJEIC-UHFFFAOYSA-N	223.366	2.093	70	50	BEIA	
Cc1ccc(F)c(F)c1S(=O)(=O)Cl	263624824	UNGFIPSPBINDRB-UHFFFAOYSA-N	226.631	2.201	70	50	BEIA	
Cc1cc(S(=O)(=O)Cl)c(C)s1	59796778	CMTPCYKEUFDVAU-UHFFFAOYSA-N	210.707	2.292	70	50	BEIA	in-vitro
O=S(=O)(F)c1cccc(Cl)c1F	143793438	DIHRARNRWXPQBU-UHFFFAOYSA-N	212.604	2.137	70	50	BEIA	
CC(C)(C)OC(=O)n1cccc1[B-](F)(F)F	197150906	JSONAYJOJGSPOG-UHFFFAOYSA-N	234.006	2.326	70	50	BEIA	in-vitro
CCOc1ccc(S(=O)(=O)Cl)cc1C	100000492	JRNNYBPPOSWFCO-UHFFFAOYSA-N	234.704	2.321	70	50	BEIA	
Cc1ccc(S(=O)(=O)Cl)c(C)c1	100004371	FREOGXBZEAMJQN-UHFFFAOYSA-N	204.678	2.231	70	50	BEIA	in-vitro
O=S(=O)(Cl)CC1CCC(F)(F)CC1	156932681	IGJWGORKZDBDCH-UHFFFAOYSA-N	232.679	2.381	70	50	BEIA	
O=S(=O)(Cl)c1cccc2cnccc12	45329200	WHIDHHUCCTYJKA-UHFFFAOYSA-N	227.672	2.162	70	50	BEIA	in-vitro
C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)F	1875375028	OOTAWQURURQIDD-SSDOTTSWSA-N	235.255	2.033	70	50	BEIA	
Cc1ccc(S(=O)(=O)F)c2cccnc12	675063407	SBZGKQHAUBVBTM-UHFFFAOYSA-N	225.244	2.201	70	50	BEIA	
[N-]=[N+]=Nc1ccc(S(=O)(=O)F)cc1	1772716765	UYQFQEIAEBMAOC-UHFFFAOYSA-N	201.182	2.287	70	50	BEIA	
Cc1ccc2cccnc2c1S(=O)(=O)Cl	100132506	IBKAMDKVGHVQEV-UHFFFAOYSA-N	241.699	2.471	70	50	BEIA	in-vitro
CC(C)(C)C[C@@H](CO)Nc1ccccn1	161422972	NHJAOESEPSRUTE-JTQLQIEISA-N	208.305	2.291	70	50	BEIA	
CCCOc1ccc(S(=O)(=O)Cl)cc1	100068866	LHYZGURMLPSRFU-UHFFFAOYSA-N	234.704	2.403	70	50	BEIA	
O=S(=O)(Cl)CCCc1ccccc1	59681502	DUWPDKKXSBXWLY-UHFFFAOYSA-N	218.705	2.188	70	50	BEIA	in-vitro
Cc1c(F)cccc1S(=O)(=O)Cl	100005187	WKJLXHQGXSWSCK-UHFFFAOYSA-N	208.641	2.062	70	50	BEIA	in-vitro
CSc1cc(C(=O)N(C)C)ccc1F	160636007	WPUCHZQEASKYKU-UHFFFAOYSA-N	213.277	2.249	70	50	BEIA	
C=CCCOc1ccc(S(=O)(=O)F)cc1	950757499	LBTZULLLNQLVCP-UHFFFAOYSA-N	230.260	2.300	70	50	BEIA	
O=S(=O)(Oc1ccc(F)cc1)C(F)(F)F	100542050	FEHSEZUGDOTYAE-UHFFFAOYSA-N	244.165	2.054	70	50	BEIA	
CSc1ccc2c(c1)sc(=N)n2C	217428602	ZUQVIQWZHJYLAL-UHFFFAOYSA-N	210.327	2.441	70	50	BEIA	
O=S(=O)(F)c1ccccc1OC(F)(F)F	139733481	TVJUACJBZQBRKR-UHFFFAOYSA-N	244.165	2.243	70	50	BEIA	
Cc1cc(S(=O)(=O)Cl)c2ncccc2c1	100012352	JZXUJBAZGSPYJP-UHFFFAOYSA-N	241.699	2.471	70	50	BEIA	in-vitro
CCOc1ccc(S(=O)(=O)Cl)cc1	100013163	XIWSSFMVSKKXRJ-UHFFFAOYSA-N	220.677	2.013	70	50	BEIA	in-vitro
O=S(=O)(Cl)Cc1ccc(F)c(F)c1	100043006	CBFHDOKDFDXNES-UHFFFAOYSA-N	226.631	2.033	70	50	BEIA	
Cc1cccc(S(=O)(=O)Cl)c1F	100006361	MQSQFPZVCHUKJH-UHFFFAOYSA-N	208.641	2.062	70	50	BEIA	in-vitro
CCCOc1ccc(OS(=O)(=O)F)cc1	1875389937	RIVSGFULEUVUHT-UHFFFAOYSA-N	234.248	2.069	70	50	BEIA	
O=S(=O)(Cl)c1ccc2ncsc2c1	72399402	XQOLJTWXFUSVOR-UHFFFAOYSA-N	233.701	2.224	70	50	BEIA	in-vitro
O=S(=O)(F)c1cccc([C@H]2CC2(F)F)c1	1772717953	AWQLKWCUKOHQKD-MRVPVSSYSA-N	236.214	2.467	70	50	BEIA	
CC(C)Oc1ccc(S(=O)(=O)Cl)cc1	100004087	IJWCRHKAQNFJLT-UHFFFAOYSA-N	234.704	2.401	70	50	BEIA	in-vitro
O=S(=O)(F)c1ccc2ccccc2c1	103525252	LGWYRYDAHZTSKX-UHFFFAOYSA-N	210.229	2.498	70	50	BEIA	
Cc1ccc(C)c(S(=O)(=O)Cl)c1	95676414	FZVZUIBYLZZOEW-UHFFFAOYSA-N	204.678	2.231	70	50	BEIA	in-vitro
CC[Si]([SiH](C)C)([SiH](C)C)[SiH](C)C	169817755	OLYCHVJXKANGTJ-UHFFFAOYSA-N	234.640	2.150	70	50	BEIA	
O=S(=O)(Cl)c1c(F)cccc1Cl	100171995	FJSIDPINTJZFNS-UHFFFAOYSA-N	229.059	2.407	70	50	BEIA	in-vitro
C[C@H]1C[C@@H](C)C[C@H](S(=O)(=O)Cl)C1	252176248	SBTQLDPVPSEMKH-JIGDXULJSA-N	210.726	2.380	70	50	BEIA	
COc1c(C)cc(S(=O)(=O)Cl)cc1C	100150610	VEGVNPNJUIRSMO-UHFFFAOYSA-N	234.704	2.240	70	50	BEIA	
N#Cc1cccc(Cl)c1S(=O)(=O)Cl	101447464	HKLHWYFHASHTMM-UHFFFAOYSA-N	236.079	2.139	70	50	BEIA	in-vitro
O=S(=O)(Cl)c1ccc2cccnc2c1	97973144	ZSLBTAMFISNVKS-UHFFFAOYSA-N	227.672	2.162	70	50	BEIA	in-vitro
COc1cccc2c1CN(C(C)(C)C)C2=O	216701180	AXCOGCLNDYQRNH-UHFFFAOYSA-N	219.284	2.450	70	50	BEIA	
O=S(=O)(Cl)c1cc(F)cc(F)c1F	100004907	UOBDGEAGDFWWOQ-UHFFFAOYSA-N	230.594	2.031	70	50	BEIA	in-vitro
O=S(=O)(F)Cc1ccc(Cl)cc1	147405690	GZLVKJCTDXCXLP-UHFFFAOYSA-N	208.641	2.139	70	50	BEIA	
Fc1ccc(CSc2ncn[nH]2)c(F)c1	217522781	LRXUPAUGMLBICX-UHFFFAOYSA-N	227.239	2.375	70	50	BEIA	
N#Cc1ccc(Cl)c(S(=O)(=O)Cl)c1	100003407	IUVMCIXSPYERDI-UHFFFAOYSA-N	236.079	2.139	70	50	BEIA	in-vitro
O=S(=O)(Cl)Cc1ccc(F)cc1F	95696942	JCBYCKNOGYFRDS-UHFFFAOYSA-N	226.631	2.033	70	50	BEIA	in-vitro
O=S(=O)(F)c1cccc(OC(F)(F)F)c1	238833270	AKXCOJSFMOADHW-UHFFFAOYSA-N	244.165	2.243	70	50	BEIA	
O=S(=O)(F)c1ccc(Br)s1	105423673	YZLKSNCDWSSCNL-UHFFFAOYSA-N	245.094	2.169	70	50	BEIA	
CCOc1cc(=O)[nH]c2c(C)cccc12	217443476	SNLMIANLRFOBAD-UHFFFAOYSA-N	203.241	2.235	70	50	BEIA	
CC(C)(C)c1ccc(S(=O)(=O)F)nc1	1772716286	FLGWVLPKOYBAIH-UHFFFAOYSA-N	217.265	2.037	70	50	BEIA	
Cc1ccc(S(=O)(=O)F)c2c1NCCC2	1772716781	VWPWWAUULOQASC-UHFFFAOYSA-N	229.276	2.011	70	50	BEIA	
CCc1ccc(C(=O)N(C)Cc2cc(C)no2)[nH]1	218221055	NRCHFSCGMRLOSC-UHFFFAOYSA-N	247.298	2.146	70	50	BEIA	
CCCCOc1ccc(/C=C\C(N)=O)cc1	217989491	PYCIRALVOSXMNQ-TWGQIWQCSA-N	219.284	2.364	70	50	BEIA	
O=S(=O)(F)Oc1ccc2ccccc2c1	223102827	IJQQGAGYVGLLJL-UHFFFAOYSA-N	226.228	2.433	70	50	BEIA	
Cc1ccc(B2Nc3ccccc3N2)cc1	169794805	KUNFGCMJKMLSRP-UHFFFAOYSA-N	208.073	2.228	70	50	BEIA	
Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CN)cc1	161234676	BIRGLZHIHITJAN-SWLSCSKDSA-N	246.354	2.253	70	50	BEIA	
Cc1cc(S(=O)(=O)Cl)sc1C	100656157	FYJYATBLABVTJO-UHFFFAOYSA-N	210.707	2.292	70	50	BEIA	in-vitro
O=S(=O)(F)c1cnc2ccc(F)cc2c1	675065959	TXIVBRZNLLCONI-UHFFFAOYSA-N	229.207	2.032	70	50	BEIA	
O=S(=O)(F)c1ccc(F)c(OC(F)F)c1	1772717941	LPOSOGDGGKYORA-UHFFFAOYSA-N	244.165	2.085	70	50	BEIA	
Cc1cc(F)cc(S(=O)(=O)Cl)c1F	263624793	UGTFTONSJFYSOW-UHFFFAOYSA-N	226.631	2.201	70	50	BEIA	
Cc1cc(C)c(S(=O)(=O)F)c(C)c1	8383136	TXJKOBLXPGOYOS-UHFFFAOYSA-N	202.250	2.270	70	50	BEIA	
O=S(=O)(Cl)Cc1cc(F)ccc1F	95696941	QBVRECXGNKZPIM-UHFFFAOYSA-N	226.631	2.033	70	50	BEIA	in-vitro
Cc1ccc(S(=O)(=O)Cl)cc1F	60003356	YDUHIMCRFRIVFI-UHFFFAOYSA-N	208.641	2.062	70	50	BEIA	in-vitro
O=S(=O)(Cl)c1cccc2ccoc12	100062857	MEOOVUNNRYYGCV-UHFFFAOYSA-N	216.645	2.360	70	50	BEIA	in-vitro
O=S(=O)(Cl)c1ccc2occc2c1	59804040	DXQKXPTYOGEXEN-UHFFFAOYSA-N	216.645	2.360	70	50	BEIA	
O=S(=O)(Cl)c1ccc(C(F)(F)F)nc1	72400668	NSGLNIQAWVNZFB-UHFFFAOYSA-N	245.609	2.028	70	50	BEIA	in-vitro
CC(C)(C)Oc1ccc(S(=O)(=O)Cl)cn1	163909574	IVZCUSZEYATXTK-UHFFFAOYSA-N	249.719	2.186	70	50	BEIA	
CCOc1ccc(C)cc1S(=O)(=O)F	675063636	ZJOHIVJZIDKLNA-UHFFFAOYSA-N	218.249	2.052	70	50	BEIA	
O=S(=O)(Cl)c1ccc(-c2ccno2)s1	95749424	SSGKBJJYLTYNQD-UHFFFAOYSA-N	249.700	2.331	70	50	BEIA	in-vitro
c1ccc(B(c2ccccc2)c2ccccc2)cc1	169747063	MXSVLWZRHLXFKH-UHFFFAOYSA-N	242.130	2.203	70	50	BEIA	
CC[SiH](c1ccccc1)c1ccccc1	169817661	RDJVTBNNOBFYLE-UHFFFAOYSA-N	212.368	2.048	70	50	BEIA	
O=S(=O)(F)c1cccc(CCl)c1	675050499	WELJIIHZMKQQSQ-UHFFFAOYSA-N	208.641	2.084	70	50	BEIA	
Cc1cccc(S(=O)(=O)Cl)c1C	100057330	VUNHYCUCWBMXLT-UHFFFAOYSA-N	204.678	2.231	70	50	BEIA	in-vitro
O=S(=O)(Cl)c1cccc(Cl)c1F	95676693	LIRQNYQIFFLGIE-UHFFFAOYSA-N	229.059	2.407	70	50	BEIA	in-vitro
O=S(=O)(Cl)c1cc(F)c(F)cc1F	95676928	STCZWXXRRTWRSK-UHFFFAOYSA-N	230.594	2.031	70	50	BEIA	in-vitro
O=S(=O)(Cl)c1ccc2ccoc2c1	97957352	YPHJLHODUUQROD-UHFFFAOYSA-N	216.645	2.360	70	50	BEIA	in-vitro
CCOc1cc(S(=O)(=O)Cl)ccc1F	100293906	OZAWHQVKCVSDMU-UHFFFAOYSA-N	238.667	2.152	70	50	BEIA	
Cc1ccc(S(=O)(=O)Cl)c2cccnc12	100503435	JQSKUQBKUDCALN-UHFFFAOYSA-N	241.699	2.471	70	50	BEIA	in-vitro
O=S(=O)(Cl)c1cccc(Cl)c1	59796727	OINWZUJVEXUHCC-UHFFFAOYSA-N	211.069	2.268	70	50	BEIA	in-vitro
O=S(=O)(F)C[C@@H]1C[C@@H]2CCCC[C@@H]21	1772716871	CMMZBDVSTNVQRK-CIUDSAMLSA-N	206.282	2.112	70	50	BEIA	
Cc1cc(C(F)(F)F)cc(S(=O)(=O)F)n1	1775955677	SEQHOAPFZQMFAE-UHFFFAOYSA-N	243.181	2.067	70	50	BEIA	
O=S(=O)(Cl)c1ncccc1C(F)(F)F	100492010	XIEXICQWCSLBBZ-UHFFFAOYSA-N	245.609	2.028	70	50	BEIA	in-vitro
O=S(=O)(F)c1ccc(OC(F)(F)F)cc1	147876789	MAOBDAHTXWJGIT-UHFFFAOYSA-N	244.165	2.243	70	50	BEIA	
O=S(=O)(Cl)c1c(F)ccc(F)c1F	100013136	IFFKHMGJJCDTJL-UHFFFAOYSA-N	230.594	2.031	70	50	BEIA	in-vitro
COc1cc(Br)cc2c1CCNC2	217409234	JQIXOQZMNIGXPS-UHFFFAOYSA-N	242.116	2.103	70	50	BEIA	
CC(=O)c1cc(S(=O)(=O)F)ccc1Cl	675063001	FYTPOWFTHMUUCZ-UHFFFAOYSA-N	236.651	2.201	70	50	BEIA	
O=S(=O)(Cl)Cc1cccc(F)c1F	95696943	IVOZQYVSUGBOER-UHFFFAOYSA-N	226.631	2.033	70	50	BEIA	in-vitro
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H](C)N)C1	161289747	ZYJWGKORXCVAQI-JHJVBQTASA-N	246.354	2.047	70	50	BEIA	
Nc1cccc2c(S(=O)(=O)Cl)cccc12	95698386	HNBHMACNYOOUKK-UHFFFAOYSA-N	241.699	2.350	70	50	BEIA	
CCOc1ccccc1S(=O)(=O)Cl	97949410	RWURYJNJYODVAL-UHFFFAOYSA-N	220.677	2.013	70	50	BEIA	in-vitro
C=CC(=O)Oc1c(F)c(F)c(F)c(F)c1F	95681906	RFOWDPMCXHVGET-UHFFFAOYSA-N	238.111	2.474	70	50	BEIA	in-vitro
CCc1ccc(OC)c(S(=O)(=O)Cl)c1	95698105	VHCODCZMAYFSHT-UHFFFAOYSA-N	234.704	2.185	70	50	BEIA	in-vitro
COc1ccc(Cl)c(S(=O)(=O)F)c1	675064647	OXOVEWZUSTVBGL-UHFFFAOYSA-N	224.640	2.007	70	50	BEIA	
O=S(=O)(Cl)Cc1cc(-c2ccco2)on1	725252477	KWPDDCBIENNGRP-UHFFFAOYSA-N	247.659	2.003	70	50	BEIA	
CSc1cccc(S(=O)(=O)Cl)c1	100507968	KBUQEVOIQNUKPC-UHFFFAOYSA-N	222.718	2.336	70	50	BEIA	in-vitro
O=S(=O)(F)c1cccc([C@@H]2CC2(F)F)c1	1772717954	AWQLKWCUKOHQKD-QMMMGPOBSA-N	236.214	2.467	70	50	BEIA	
Cc1ccc(S(=O)(=O)Br)cc1	100025246	NTSFJZORNYYLFW-UHFFFAOYSA-N	235.102	2.079	70	50	BEIA	
Cc1ccc2cccc(S(=O)(=O)F)c2n1	675065691	MPTPKMOPLCOHSL-UHFFFAOYSA-N	225.244	2.201	70	50	BEIA	
Cc1cncc2cccc(S(=O)(=O)Cl)c12	59173593	JHXVHTVZWRBEBJ-UHFFFAOYSA-N	241.699	2.471	70	50	BEIA	in-vitro
Cc1ccc(CCS(=O)(=O)Cl)cc1	95696990	KHGAWSFTMGXQID-UHFFFAOYSA-N	218.705	2.106	70	50	BEIA	in-vitro
O=S(=O)(F)Oc1ccc(OCC2CC2)cc1	1875390011	ISFGSFGUOFUESR-UHFFFAOYSA-N	246.259	2.069	70	50	BEIA	
O=S(=O)(Cl)c1c(F)cc(F)cc1F	95676927	XINCBNCLCIQIJM-UHFFFAOYSA-N	230.594	2.031	70	50	BEIA	in-vitro
CNC(=O)CCCCCCCBr	59373504	PTHMRLVPRAXLPS-UHFFFAOYSA-N	236.153	2.468	70	50	BEIA	
Cc1oc(-c2ccno2)cc1S(=O)(=O)Cl	100021230	UESHFPJLRRFUDQ-UHFFFAOYSA-N	247.659	2.171	70	50	BEIA	
O=S(=O)(Cl)c1ccccc1-c1cnco1	100221923	JQDFXDWRNRMTAQ-UHFFFAOYSA-N	243.671	2.269	70	50	BEIA	
CO[C@@H](CS(=O)(=O)Cl)C1CCCCC1	258346001	UJCJXHZWSNOHNI-VIFPVBQESA-N	240.752	2.150	70	50	BEIA	
CN(C(N)=O)[C@H](c1ccc(F)cc1)C1CC1	160785142	AZJSVFRIUUCPCK-NSHDSACASA-N	222.263	2.287	70	50	BEIA	
N#Cc1ccc(S(=O)(=O)Cl)c(Cl)c1	95708112	GNJOWOAPHOFJBW-UHFFFAOYSA-N	236.079	2.139	70	50	BEIA	in-vitro
O=S(=O)(F)c1c(Cl)cncc1Cl	958719512	KIRBQDFDBMEMSK-UHFFFAOYSA-N	230.047	2.047	70	50	BEIA	
Cc1ccc(S(=O)(=O)Cl)c2ccncc12	100132516	ILGKLJCAUKEOPG-UHFFFAOYSA-N	241.699	2.471	70	50	BEIA	in-vitro
Cc1nc(-c2ccc(S(=O)(=O)F)cc2)co1	675066807	ORRUPJOLHIXPFP-UHFFFAOYSA-N	241.243	2.308	70	50	BEIA	
c1cc(Cn2nc(C3CC3)nc2C2CC2)no1	161468395	NNIVUJNUURTOOA-UHFFFAOYSA-N	230.271	2.069	70	50	BEIA	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1C	100170427	VPPPQFAKKFQYGQ-UHFFFAOYSA-N	249.675	2.139	70	50	BEIA	
Cc1ccc(C[C@H](C)N(C)S(=O)(=O)F)cc1	1875374886	IMODKAKXIMZHMD-JTQLQIEISA-N	245.319	2.072	70	50	BEIA	
Cc1ccc(CS(=O)(=O)Cl)cc1	59681322	JALKUHLLMWYIAT-UHFFFAOYSA-N	204.678	2.064	70	50	BEIA	in-vitro
O=Cc1ccc(C(=O)[B-](F)(F)F)cc1	585091571	IXZLPIWFUSMQAS-UHFFFAOYSA-N	200.932	2.068	70	50	BEIA	
CC(C)C(=O)Nc1ccc([B-](F)(F)F)cc1	170018716	IVSNEQKKJODNIZ-UHFFFAOYSA-N	230.018	2.336	70	50	BEIA	
O=S(=O)(F)c1cc(F)c(Cl)cc1F	958678312	ONIXGYWKILUTPO-UHFFFAOYSA-N	230.594	2.276	70	50	BEIA	
O=S(=O)(Cl)c1cccc2cccnc12	95681722	JUYUYCIJACTHMK-UHFFFAOYSA-N	227.672	2.162	70	50	BEIA	in-vitro
CN(C)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F	159816604	RIGXHKDOSIIYQD-WCBMZHEXSA-N	225.238	2.157	70	50	BEIA	
O=S(=O)(F)c1ccccc1CCl	167166992	ZQQKQFYORDSUMQ-UHFFFAOYSA-N	208.641	2.084	70	50	BEIA	
C[SiH](C)c1c(F)c(F)c(F)c(F)c1F	169806236	MPONAZITPQRYHQ-UHFFFAOYSA-N	226.220	2.076	70	50	BEIA	
CC[C@H](SC)c1nc([C@H]2CCOC2)no1	161383204	DKQKOVRAFWRBKO-YUMQZZPRSA-N	228.317	2.388	70	50	BEIA	
F[Si](F)(c1ccccc1)c1ccccc1	169806240	BOMPXIHODLVNMC-UHFFFAOYSA-N	220.294	2.182	70	50	BEIA	
COc1ccc(-c2cc([B-](F)(F)F)[nH]n2)cc1	169995724	IUFFZSJLVMWKHV-UHFFFAOYSA-N	241.001	2.140	70	50	BEIA	
[N-]=[N+]=Nc1cccc(S(=O)(=O)F)c1	1772716371	KXRCAWKCPHCPOD-UHFFFAOYSA-N	201.182	2.287	70	50	BEIA	
CC(C)(C)OC(=O)NCC[B-](F)(F)F	169909663	WPMLVICGCJWWTJ-UHFFFAOYSA-N	212.000	2.359	70	50	BEIA	
O=[N+]([O-])c1cc([B-](F)(F)F)ccc1Cl	169975891	BRFIIZBUXFIGLW-UHFFFAOYSA-N	224.354	2.303	70	50	BEIA	in-vitro
COc1cc(Cl)cc([B-](F)(F)F)c1	170009994	PCKUROZBOGQGBV-UHFFFAOYSA-N	209.383	2.403	70	50	BEIA	
F[B-](F)(F)c1ccc(C(F)(F)F)nc1	169989975	FDCDSQJALSEGJC-UHFFFAOYSA-N	213.897	2.155	70	50	BEIA	in-vitro
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H](C)N)C1	161289505	ZYJWGKORXCVAQI-YNEHKIRRSA-N	246.354	2.047	70	50	BEIA	
C[C@H](c1ccc(F)cc1)S(=O)(=O)F	757183343	OETZFKJXYBEOPN-ZCFIWIBFSA-N	206.213	2.186	70	50	BEIA	
O=S(=O)(Cl)Cc1c(F)cccc1F	100042576	VLBAKONQZABMSE-UHFFFAOYSA-N	226.631	2.033	70	50	BEIA	in-vitro
CC[C@@H](SC)c1nc([C@@H]2CCOC2)no1	161383135	DKQKOVRAFWRBKO-HTQZYQBOSA-N	228.317	2.388	70	50	BEIA	
Cc1ccccc1CS(=O)(=O)Cl	95696989	NDMREUGSHNSYBI-UHFFFAOYSA-N	204.678	2.064	70	50	BEIA	in-vitro
O=S(=O)(F)CCC1Cc2ccccc2C1	675064421	IMJOYBOKPNVVJK-UHFFFAOYSA-N	228.288	2.091	70	50	BEIA	
O=S(=O)(F)c1cc(Cl)ccc1F	59059454	DOVCXFSROGOKQI-UHFFFAOYSA-N	212.604	2.137	70	50	BEIA	
Cc1ccc2ncccc2c1S(=O)(=O)Cl	59530749	ZBRUNFIHRXZETH-UHFFFAOYSA-N	241.699	2.471	70	50	BEIA	in-vitro