smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)c1cccc(C(=O)NC[C@@H]2CCOC2)c1	218068873	KSJJJYRASOPRTQ-NSHDSACASA-N	247.294	1.656	70	50	BDIA	
COC(=O)c1ccc(S(=O)(=O)F)cc1	136890893	ZHXUKAUTLJXSJX-UHFFFAOYSA-N	218.205	1.131	70	50	BDIA	
O=S(=O)(F)C[C@@H]1CCC(F)(F)CO1	1776007043	KIVKPODNYOVXKI-YFKPBYRVSA-N	218.196	1.100	70	50	BDIA	
CO[C@H](CC(C)C)CS(=O)(=O)Cl	259074657	CWGGDLNLQMFCSG-SSDOTTSWSA-N	214.714	1.616	70	50	BDIA	
O=S(=O)(F)c1cncc2ccccc12	306391663	FWMAJSKTKKRNNO-UHFFFAOYSA-N	211.217	1.893	70	50	BDIA	
CN(C[C@@H]1CCCCN1C)C(=O)c1ccc[nH]1	217135495	KBJDANQDCICZMI-NSHDSACASA-N	235.331	1.571	70	50	BDIA	
CO[C@H](Cc1ccccc1)CS(=O)(=O)Cl	259460049	QQNSHDVLPJGPLL-SNVBAGLBSA-N	248.731	1.813	70	50	BDIA	
O=C(CCS(=O)(=O)F)OCc1ccccc1	675062880	CGZZFLWMURXFHT-UHFFFAOYSA-N	246.259	1.419	70	50	BDIA	
O=S(=O)(F)c1cc(Br)ccn1	1776011382	YHDFZYMFBCVGNL-UHFFFAOYSA-N	240.053	1.502	70	50	BDIA	
Cc1nnc(Cn2cnc3c2CCCC3)o1	160722003	XDQFMCBGFMVAIP-UHFFFAOYSA-N	218.260	1.502	70	50	BDIA	
COCc1cccc(OS(=O)(=O)F)c1	1875389941	SFWXQWDQAVKEHZ-UHFFFAOYSA-N	220.221	1.426	70	50	BDIA	
Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Cl	100153106	UUBTWOONDOQAOZ-UHFFFAOYSA-N	246.675	1.092	70	50	BDIA	in-vitro
N#Cc1ccc(F)c(OS(=O)(=O)F)c1	1875389966	ZWIUYOJFMCKMAA-UHFFFAOYSA-N	219.168	1.290	70	50	BDIA	
C[C@]1(CS(=O)(=O)F)OC(=O)c2ccccc21	1875369110	QRNLYWKAHBBCKS-SNVBAGLBSA-N	244.243	1.372	70	50	BDIA	
O=S(=O)(Cl)c1ccc(Cl)nc1	59796816	QXZKKHONVQGXAK-UHFFFAOYSA-N	212.057	1.663	70	50	BDIA	in-vitro
O=S(=O)(F)Oc1ccc2ccnc(O)c2c1	1875368510	WTKOCJCPHNGPMX-UHFFFAOYSA-N	243.215	1.534	70	50	BDIA	
NC[C@@H]1CCCN1C(=O)c1ccc2[nH]ncc2c1	160275067	OUFWWROETINZSA-NSHDSACASA-N	244.298	1.126	70	50	BDIA	
Cc1ccc(B(O)c2ccc(C)cc2)cc1	169903841	ZJHMSSYDWCPSFN-UHFFFAOYSA-N	210.085	1.401	70	50	BDIA	
COC(=O)c1ccn(C(=O)OC(C)(C)C)n1	216702174	BVQUOORGRDGCMX-UHFFFAOYSA-N	226.232	1.453	70	50	BDIA	
CB1NN=C(Br)c2ccccc21	169872798	KTMNPFAIRXXSOJ-UHFFFAOYSA-N	222.882	1.175	70	50	BDIA	
Cc1cc(=O)c(O)c([C@@H](CC(N)=O)C(C)C)o1	217764754	BBHNKXKPADYZMH-QMMMGPOBSA-N	239.271	1.269	70	50	BDIA	biogenic
CC[C@H](N)C(=O)N[C@@H]1CCC[C@H](SC)C1	161124160	KVNJSHCJVWKDGP-UTLUCORTSA-N	230.377	1.514	70	50	BDIA	
CCCOc1ccccc1C(=O)N[C@H]1CCNC1	218526500	MQFXMZURTRLSMB-NSHDSACASA-N	248.326	1.567	70	50	BDIA	
O=[N+]([O-])c1cccc(CS(=O)(=O)F)c1	230507607	NEHJHAMCKIXOQT-UHFFFAOYSA-N	219.193	1.394	70	50	BDIA	
O=S(=O)(F)c1ccc(C(F)(F)F)[nH]1	1772716688	NTZGMBLPGNLBPT-UHFFFAOYSA-N	217.143	1.692	70	50	BDIA	
CC(=O)NCc1ccc(S(=O)(=O)Cl)cc1	100124192	WRGHKTBZVWARIA-UHFFFAOYSA-N	247.703	1.250	70	50	BDIA	
CO[C@@H]1CCCCC[C@@H]1S(=O)(=O)F	1875389964	ZCNWYFUXCCWADS-SFYZADRCSA-N	210.270	1.633	70	50	BDIA	
N#Cc1cc(S(=O)(=O)F)ccc1F	606276721	ZIFVVJPZORGMMY-UHFFFAOYSA-N	203.169	1.356	70	50	BDIA	
O=S(=O)(F)c1ccc2c(c1)CCO2	606275321	YQGFBXCRFMRZKW-UHFFFAOYSA-N	202.206	1.280	70	50	BDIA	
O=S(=O)(Cl)c1c(F)cc(F)nc1F	216635128	NKHYQOJFCKQEKZ-UHFFFAOYSA-N	231.582	1.426	70	50	BDIA	in-vitro
O=S(=O)(F)c1cccc(CCl)n1	1857780850	VLNYAUKKRIHFLO-UHFFFAOYSA-N	209.629	1.479	70	50	BDIA	
O=C(NCCCNc1cccnc1)[C@@H]1CCCO1	218208305	FMNHZAGDQZOEFG-LBPRGKRZSA-N	249.314	1.179	70	50	BDIA	
N#CCc1cccc(OS(=O)(=O)F)c1	1875374737	ZRZJWZKRXIIXQU-UHFFFAOYSA-N	215.205	1.346	70	50	BDIA	
Cc1cc(F)ccc1CC(=O)NCc1cc[nH]n1	218299224	SBUZDWTYSKMIIC-UHFFFAOYSA-N	247.273	1.716	70	50	BDIA	
O=C(O)c1cc(F)c(F)c(S(=O)(=O)F)c1	675065755	ORWPUVXZWJFBHJ-UHFFFAOYSA-N	240.158	1.321	70	50	BDIA	
O=S(=O)(Cl)N1CCc2ccccc2C1	100289325	BFBQTBDTSDOYAE-UHFFFAOYSA-N	231.704	1.528	70	50	BDIA	biogenic,in-vitro
O=S(=O)(Cl)c1ccc(Cl)cn1	100043285	ZPHYQPBAPHPVAL-UHFFFAOYSA-N	212.057	1.663	70	50	BDIA	in-vitro
CN1CCOc2ccc(S(=O)(=O)Cl)cc21	59530765	LHMOALYDXXCXLZ-UHFFFAOYSA-N	247.703	1.443	70	50	BDIA	
COc1cccnc1NCc1cnn(C)c1	159448919	TYFDCRQPDQORHR-UHFFFAOYSA-N	218.260	1.436	70	50	BDIA	
COc1ccc(F)cc1S(=O)(=O)Cl	60003357	LUEBMKPHZDSPFH-UHFFFAOYSA-N	224.640	1.762	70	50	BDIA	in-vitro
F[B-](F)(F)c1cnn([C@@H]2CCCCO2)c1	170174509	TYMCGBWUIVMODC-QMMMGPOBSA-N	218.995	1.637	70	50	BDIA	
COc1ccc(F)c(F)c1S(=O)(=O)Cl	100516837	FMNCPVYTIOLWAQ-UHFFFAOYSA-N	242.630	1.901	70	50	BDIA	
CCN1CCN(c2ccccc2C(=O)OC)CC1	217043993	BPRGPHKGLDKAFH-UHFFFAOYSA-N	248.326	1.615	70	50	BDIA	
COC(=O)c1ccccc1S(=O)(=O)Cl	95731482	HUNUAFNLLYVTQD-UHFFFAOYSA-N	234.660	1.401	70	50	BDIA	in-vitro
CCCOc1ccccc1C(=O)N[C@@H]1CCNC1	218526434	MQFXMZURTRLSMB-LLVKDONJSA-N	248.326	1.567	70	50	BDIA	
O=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1F	95671150	RRONENSZKCGROA-UHFFFAOYSA-N	239.611	1.661	70	50	BDIA	
COC(=O)c1oc(S(=O)(=O)Cl)cc1C	200978744	HEXWEIMKHZBKHP-UHFFFAOYSA-N	238.648	1.302	70	50	BDIA	
O=c1[nH]c2ccc(S(=O)(=O)Cl)cc2o1	95686539	IBHCNMJSVDRBSY-UHFFFAOYSA-N	233.632	1.049	70	50	BDIA	
CCOC1(CS(=O)(=O)Cl)CCOCC1	258283805	OUHSOROHHSICSK-UHFFFAOYSA-N	242.724	1.141	70	50	BDIA	
CC(C)(C)COS(=O)(=O)Br	101019119	LNRYBIFAYCCJRS-UHFFFAOYSA-N	231.111	1.689	70	50	BDIA	
COc1cc(F)c(S(=O)(=O)Cl)cc1F	100508117	CUTNXALJOYAPJT-UHFFFAOYSA-N	242.630	1.901	70	50	BDIA	
CS(=O)(=O)c1ccccc1[B-](F)(F)F	169746152	NGLJAQULPGOIIV-UHFFFAOYSA-N	223.004	1.145	70	50	BDIA	
O=C(O)c1cc(F)cc(S(=O)(=O)F)c1	675065520	ILHXBOHPWSIJAX-UHFFFAOYSA-N	222.168	1.182	70	50	BDIA	
O=C=Nc1ccc(OS(=O)(=O)F)cc1	1857780158	OWOOXOXKUACJHT-UHFFFAOYSA-N	217.177	1.247	70	50	BDIA	
NC[C@H]1CCCN1C(=O)c1ccc2[nH]ncc2c1	160274918	OUFWWROETINZSA-LLVKDONJSA-N	244.298	1.126	70	50	BDIA	
COC(=O)c1ccc(C)c([B-](F)(F)F)c1	169807385	MHDKODVUIBSBEW-UHFFFAOYSA-N	216.975	1.836	70	50	BDIA	
O=C(/C=C/c1ccccc1)NCCn1cncn1	218482217	JYRNPNQMIYGLOA-VOTSOKGWSA-N	242.282	1.108	70	50	BDIA	
CC1(c2ccccc2)CN(S(=O)(=O)F)C1	1875374980	MQOGEPPGQXSZRR-UHFFFAOYSA-N	229.276	1.474	70	50	BDIA	
CC1(C)Oc2cccc(OS(=O)(=O)F)c2O1	1875390031	MJTVBOROTOPJOS-UHFFFAOYSA-N	248.231	1.787	70	50	BDIA	
O=S(=O)(Cl)C[C@H]1CC1(Cl)Cl	100579392	RIXYDQHHAVBYAC-GSVOUGTGSA-N	223.508	1.749	70	50	BDIA	in-vitro
O=S(=O)(F)Oc1cccc(-n2ccnc2)c1	1875374230	GLZACOYAZQTQEQ-UHFFFAOYSA-N	242.231	1.465	70	50	BDIA	
CO[C@H](CS(=O)(=O)Cl)C1CCC1	259553446	UVPJXGJDCPLPNN-SSDOTTSWSA-N	212.698	1.370	70	50	BDIA	
O=S(=O)(F)Oc1ccc2ncncc2c1	1875375733	NOSSNCGFLGSFJZ-UHFFFAOYSA-N	228.204	1.223	70	50	BDIA	
CCCNCCNC[C@H]1CCCOC1	161344730	IGUAKEWMJUGSIW-LLVKDONJSA-N	200.326	1.002	70	50	BDIA	
O=S(=O)(Cl)CC(F)(F)CC1CC1	258495430	NXLADVVZNXAFQS-UHFFFAOYSA-N	218.652	1.990	70	50	BDIA	
O=S(=O)(Cl)c1ccc2[nH]ncc2c1	100009403	OHNCNPVNTFTJLX-UHFFFAOYSA-N	216.649	1.490	70	50	BDIA	in-vitro
CC[C@]1(C)CC[C@@H](CS(=O)(=O)F)O1	1772718067	REWNBKOKARIJNF-JGVFFNPUSA-N	210.270	1.633	70	50	BDIA	
COC(=O)c1cccc(C)c1S(=O)(=O)Cl	100035129	YZNFOAXNTIGWQG-UHFFFAOYSA-N	248.687	1.709	70	50	BDIA	in-vitro
COC(=O)Cc1ccc([B-](F)(F)F)cc1	409420657	VFAZOQUWJXVAFD-UHFFFAOYSA-N	216.975	1.457	70	50	BDIA	
O=S(=O)(F)C[C@@H]1CCCC2(CCC2)O1	1772717252	LPHKQZQFHFRYLV-QMMMGPOBSA-N	222.281	1.778	70	50	BDIA	
C[C@@H](c1ccon1)N(C)C(=O)c1cccc(N)n1	217123124	LZZTZNYINVPKID-QMMMGPOBSA-N	246.270	1.485	70	50	BDIA	
CC[C@@H]1[C@H](NC(=O)c2nc(C)c[nH]2)[C@@H]2CCO[C@@H]21	218511963	LDLIKQLEUBUXKF-VPOLOUISSA-N	249.314	1.261	70	50	BDIA	
O=S(=O)(F)c1ncccc1C1CC1	584879897	CXTKNXTYTRFCKI-UHFFFAOYSA-N	201.222	1.617	70	50	BDIA	
O=S(=O)(F)c1cnn(-c2ccccc2)c1	675063572	WWXYEVVHAGXAIC-UHFFFAOYSA-N	226.232	1.531	70	50	BDIA	
Cc1nc(C)c(C)c(N[C@@H]2C[C@@H]3OCC[C@@H]32)n1	216946811	HCMLXGQHKQNSAS-UTUOFQBUSA-N	233.315	1.991	70	50	BDIA	
O=S(=O)(F)c1cncc(C(F)(F)F)c1	950757376	YAQMZGFTGYYRTA-UHFFFAOYSA-N	229.154	1.759	70	50	BDIA	
COc1ncc(-c2ccc(O)cc2)cn1	216709684	YBSSATUILXDAIK-UHFFFAOYSA-N	202.213	1.858	70	50	BDIA	
CCCCN1C(=O)CC[C@@H]2CNCC[C@@H]21	159947450	NUPKNVOGCMITSD-MNOVXSKESA-N	210.321	1.387	70	50	BDIA	
CN(Cc1cccc(F)c1F)S(=O)(=O)F	241132927	JNFDNEJCQQTPFV-UHFFFAOYSA-N	239.218	1.611	70	50	BDIA	
O=S(=O)(F)[C@H]1C[C@H]2C=C[C@H]1C21CC1	1857782588	WYFWARILCPVWFB-PRJMDXOYSA-N	202.250	1.640	70	50	BDIA	
O=S(=O)(F)c1ccc2ccccc2n1	138702450	GNNTZHUFNOYUQO-UHFFFAOYSA-N	211.217	1.893	70	50	BDIA	
Cc1cc(Cl)cnc1S(=O)(=O)F	1772717554	MBBOHRHXEPDYBN-UHFFFAOYSA-N	209.629	1.702	70	50	BDIA	
CCc1ccc(S(=O)(=O)F)cc1C(=O)O	238850650	CIINUYYFFSTIRQ-UHFFFAOYSA-N	232.232	1.605	70	50	BDIA	
O=S(=O)(F)Cc1ccn(CC(F)(F)F)n1	1775999995	BPYGWYVZWVGZQL-UHFFFAOYSA-N	246.185	1.245	70	50	BDIA	
COC(=O)c1ccncc1NC(=O)C(C)(C)C	216706019	SAJFQGYLECXXOR-UHFFFAOYSA-N	236.271	1.853	70	50	BDIA	
Cn1ccc2cc(S(=O)(=O)F)cnc21	1775996744	GUOUABAWULFVTH-UHFFFAOYSA-N	214.221	1.232	70	50	BDIA	
O=S(=O)(Cl)Cc1ccc(Cl)nc1	59266831	PHGINWFLGGHDGG-UHFFFAOYSA-N	226.084	1.804	70	50	BDIA	in-vitro
COC(=O)c1ccc([B-](F)(F)F)cc1	169746058	MCOUNJNHQKYUAR-UHFFFAOYSA-N	202.948	1.528	70	50	BDIA	in-vitro
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)F	238855847	SZEJNJAQOMYEBZ-UHFFFAOYSA-N	237.183	1.701	70	50	BDIA	
O=C(O)c1cc(S(=O)(=O)Cl)ccc1O	59681281	SJXHSFSHNKFRLN-UHFFFAOYSA-N	236.632	1.018	70	50	BDIA	in-vitro
O=S(=O)(F)c1cccc2c1OCC2	675065112	AAWNNTKDNDIDPT-UHFFFAOYSA-N	202.206	1.280	70	50	BDIA	
CC(C)(C)Oc1ncccc1S(=O)(=O)F	1772716377	LLRWGCKKCDDXRY-UHFFFAOYSA-N	233.264	1.917	70	50	BDIA	
CCOc1ncccc1S(=O)(=O)Cl	157566887	GFMIPFLGOBWPCN-UHFFFAOYSA-N	221.665	1.408	70	50	BDIA	
N#Cc1ccc(OS(=O)(=O)F)cc1F	1875390109	ZFONCPSDRHZNFE-UHFFFAOYSA-N	219.168	1.290	70	50	BDIA	
CCCCNC(=O)OCCOC(C)=O	218736858	SSVJAIRCWYXPBM-UHFFFAOYSA-N	203.238	1.076	70	50	BDIA	
COC(=O)CCc1ccc(S(=O)(=O)F)cc1	675063831	PNCCNNRGSQVQPB-UHFFFAOYSA-N	246.259	1.450	70	50	BDIA	
CN(Cc1cc[nH]n1)C(=O)c1ccc(O)cc1F	217775608	DEQDOVVQRSVFGB-UHFFFAOYSA-N	249.245	1.527	70	50	BDIA	
COc1ccc(S(=O)(=O)F)cc1OC	105404599	LCEVVNNKUAEPJM-UHFFFAOYSA-N	220.221	1.362	70	50	BDIA	
COC(CN1CCC2(CCCC2)C1)OC	161318296	GOESAAGZTNRBKN-UHFFFAOYSA-N	213.321	1.871	70	50	BDIA	
Cc1ccc(OS(=O)(=O)C(F)(F)F)cn1	100029630	NSSSVJYQTZRVMH-UHFFFAOYSA-N	241.190	1.618	70	50	BDIA	
Cc1cc(S(=O)(=O)Cl)sc1C(=O)O	59530746	BCZVCWODZXDDOE-UHFFFAOYSA-N	240.689	1.682	70	50	BDIA	in-vitro
O=S(=O)(F)c1ccc2oc(O)nc2c1	675064399	HRXYBQCJXWKCAT-UHFFFAOYSA-N	217.177	1.192	70	50	BDIA	
Nc1cc(OS(=O)(=O)F)ccc1F	1875389979	BVLMARDTPAHIHJ-UHFFFAOYSA-N	209.173	1.001	70	50	BDIA	
Cc1ccccc1CCN(C)S(=O)(=O)F	1875375122	RMPHCSYJVJWGIW-UHFFFAOYSA-N	231.292	1.684	70	50	BDIA	
COc1ccc(S(=O)(=O)F)c(C)n1	1772718014	DUXYUVMPCVHTBJ-UHFFFAOYSA-N	205.210	1.057	70	50	BDIA	
COc1c(F)ccc(F)c1S(=O)(=O)Cl	100516824	BNOQGPFQFWAFMU-UHFFFAOYSA-N	242.630	1.901	70	50	BDIA	
Cc1noc2ncc(S(=O)(=O)Cl)cc12	100612849	JGKTYJARBKWGGM-UHFFFAOYSA-N	232.648	1.459	70	50	BDIA	in-vitro
O=S(=O)(Cl)Cc1noc2ccccc12	67665464	ZREYTLWEJMYKRX-UHFFFAOYSA-N	231.660	1.896	70	50	BDIA	in-vitro
O=S(=O)(F)CCc1c[nH]nc1C(F)(F)F	675064643	OTPVABXNDJNCNY-UHFFFAOYSA-N	246.185	1.270	70	50	BDIA	
N#Cc1cc(S(=O)(=O)Cl)ccc1F	95676588	KDVZADPGGPBAAK-UHFFFAOYSA-N	219.624	1.625	70	50	BDIA	in-vitro
CC[C@@H](NC(=O)c1cc[nH]n1)c1c(C)noc1C	160547103	NVJZWYJJAUBPEI-SECBINFHSA-N	248.286	1.896	70	50	BDIA	
CCC(=O)Nc1ccc(S(=O)(=O)Cl)cc1	100066149	GLVXFKWVEJWTEB-UHFFFAOYSA-N	247.703	1.963	70	50	BDIA	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)F	104170330	LAUPFCXWHNSUKE-UHFFFAOYSA-N	235.192	1.262	70	50	BDIA	
Cc1cc(OCC(N)=O)c2cccc(C)c2n1	217445043	DHSQEZOXPZSKGH-UHFFFAOYSA-N	230.267	1.716	70	50	BDIA	
O=S(=O)(Cl)c1cncc(C(F)F)c1	216300304	PYBAXOKYCKNZNL-UHFFFAOYSA-N	227.619	1.947	70	50	BDIA	
CC(C)(F)COS(=O)(=O)C(F)(F)F	115155671	OJFXAMILNHYNSV-UHFFFAOYSA-N	224.175	1.601	70	50	BDIA	
CN(Cc1cc(Cl)cn1C)S(=O)(=O)F	1875375018	ODWSWVRKXIPVOQ-UHFFFAOYSA-N	240.687	1.325	70	50	BDIA	
CN1CC=C(OS(=O)(=O)C(F)(F)F)CC1	101740648	VLJCJEJRGHGDMQ-UHFFFAOYSA-N	245.222	1.072	70	50	BDIA	
COc1ccc([B-](F)(F)F)cc1C=O	169995683	ILILPJPJGLXEFE-UHFFFAOYSA-N	202.948	1.562	70	50	BDIA	in-vitro
CC1(C)COc2ccc(OS(=O)(=O)F)cc21	1875390082	UPMFDISFTSTMMD-UHFFFAOYSA-N	246.259	1.950	70	50	BDIA	
O=S(=O)(F)c1cnn(-c2ccccc2F)c1	675063502	VRVWAEBAPIFQLJ-UHFFFAOYSA-N	244.222	1.670	70	50	BDIA	
CN(Cc1ccccc1)S(=O)(=O)Cl	98050243	VURHMMRCYKRHOT-UHFFFAOYSA-N	219.693	1.602	70	50	BDIA	in-vitro
CC[C@H](N)C(=O)N[C@@H]1CCC[C@@H](SC)C1	161124396	KVNJSHCJVWKDGP-BBBLOLIVSA-N	230.377	1.514	70	50	BDIA	
O=S(=O)(F)[C@H]1CC[C@H]2CC[C@H]1OC2	1772770691	WTINUUCUYPHRHL-PRJMDXOYSA-N	208.254	1.243	70	50	BDIA	
CN1C(=O)Cc2cc(S(=O)(=O)Cl)ccc21	60003375	YFRKJJDSYAKRAU-UHFFFAOYSA-N	245.687	1.133	70	50	BDIA	in-vitro
O=S(=O)(F)c1ccc2nc(O)sc2c1	675066478	KXMGPVOZCINTIZ-UHFFFAOYSA-N	233.245	1.660	70	50	BDIA	
O=S(=O)(Cl)c1ccc2oncc2c1	59059915	VOTYKHCJXKHHEQ-UHFFFAOYSA-N	217.633	1.755	70	50	BDIA	in-vitro
O=S(=O)(NC[B-](F)(F)F)c1ccccc1	200976381	BRXXGNUAPAUGMP-UHFFFAOYSA-N	238.019	1.352	70	50	BDIA	in-vitro
O=S(=O)(OCCCF)C(F)(F)F	100037250	CFTZHULZUDBHPH-UHFFFAOYSA-N	210.148	1.212	70	50	BDIA	in-vitro
O=S(=O)(F)[C@@H]1CCO[C@@H](C(F)(F)F)C1	757178861	MSFDZHUXJFEYFF-RFZPGFLSSA-N	236.186	1.396	70	50	BDIA	
COc1cccc2c1CCN(S(=O)(=O)F)C2	1875374020	XRCGORHVBDEUGW-UHFFFAOYSA-N	245.275	1.268	70	50	BDIA	
O=S(=O)(Cl)c1cc(F)ccc1F	59796760	CELLJWUVMKEJDY-UHFFFAOYSA-N	212.604	1.892	70	50	BDIA	in-vitro
Cc1cc(C(=O)O)cc(S(=O)(=O)F)c1C	238856115	UUWWTLKWWPWKIK-UHFFFAOYSA-N	232.232	1.660	70	50	BDIA	
O=S(=O)(F)N1CCc2sccc2C1	1857784636	UBALFCNMSUHHPK-UHFFFAOYSA-N	221.278	1.321	70	50	BDIA	
CC(=O)Nc1ccc(C)cc1S(=O)(=O)Cl	100000493	NGUFRGGRPQMFIX-UHFFFAOYSA-N	247.703	1.881	70	50	BDIA	
Cc1cc(C)c(CNC(=O)[C@@]2(C)CCCO2)cn1	218420219	RVKDKMULIXVELK-CQSZACIVSA-N	248.326	1.884	70	50	BDIA	
CCOC(=O)c1ccccc1S(=O)(=O)Cl	100076841	YYVLJSYHJIQREA-UHFFFAOYSA-N	248.687	1.791	70	50	BDIA	in-vitro
O=S(=O)(F)c1cccc2ncccc12	606282407	IEODNVBLMJXIEQ-UHFFFAOYSA-N	211.217	1.893	70	50	BDIA	
COc1cccc2c(=O)c(CN(C)C)c(C)[nH]c12	217428352	KAXOTFARINGDDO-UHFFFAOYSA-N	246.310	1.907	70	50	BDIA	
Cc1ccc2nonc2c1S(=O)(=O)Cl	59192665	PNFIAAOCDDIDNX-UHFFFAOYSA-N	232.648	1.459	70	50	BDIA	in-vitro
O=S(=O)(Cl)C(Cl)(Cl)Cl	95712990	ZCPSWAFANXCCOT-UHFFFAOYSA-N	217.888	1.883	70	50	BDIA	in-vitro
COC(=O)c1nc(C)cc(C(F)(F)F)n1	217021987	UZMCVIJUXWDKGB-UHFFFAOYSA-N	220.150	1.590	70	50	BDIA	
CC(=O)c1ccc(C)cc1OS(=O)(=O)F	1875389872	CPAZTDFVWNACEP-UHFFFAOYSA-N	232.232	1.791	70	50	BDIA	
O=S(=O)(F)[C@H]1CCO[C@H](C(F)(F)F)C1	757178863	MSFDZHUXJFEYFF-WHFBIAKZSA-N	236.186	1.396	70	50	BDIA	
Cc1cc(S(=O)(=O)F)cc([N+](=O)[O-])c1C	675063850	QFFQUGWZZNLYSM-UHFFFAOYSA-N	233.220	1.870	70	50	BDIA	
Cc1cc(CC#N)ccc1OS(=O)(=O)F	1875374156	COQRZUSBAYUDGT-UHFFFAOYSA-N	229.232	1.654	70	50	BDIA	
O=S(=O)(F)N1CC[C@H]2CCCC[C@@H]2C1	1772717418	AVOXGONYDOMMAE-RKDXNWHRSA-N	221.297	1.713	70	50	BDIA	
C[C@@H](NS(=O)(=O)Cl)c1ccccc1	59130677	QOPLNBUUOURXFZ-SSDOTTSWSA-N	219.693	1.821	70	50	BDIA	
CC(=O)Nc1ccc(S(=O)(=O)F)s1	1772715543	ZCSWZPXCIQDWLL-UHFFFAOYSA-N	223.250	1.365	70	50	BDIA	
CCn1ncc(S(=O)(=O)Cl)c1C	59681429	WTCIDIPYELTAMF-UHFFFAOYSA-N	208.670	1.139	70	50	BDIA	in-vitro
COc1ccc(S(=O)(=O)Cl)c(C)c1	100571206	ORRJJCXQZGXRPU-UHFFFAOYSA-N	220.677	1.931	70	50	BDIA	
O=C(O)/C=C/c1ccc(S(=O)(=O)Cl)cc1	72399604	ZGGPGWYMMZNPOY-ZZXKWVIFSA-N	246.671	1.712	70	50	BDIA	in-vitro
CC(C)(C)C[C@H](CO)Nc1ncnc2nc[nH]c12	161408951	FDYISNPXYIEGKV-MRVPVSSYSA-N	249.318	1.562	70	50	BDIA	
O=S(=O)(F)Oc1ccc2nccnc2c1	1857780234	WDBRCSUAPMWVJR-UHFFFAOYSA-N	228.204	1.223	70	50	BDIA	
CCc1ccc(C(=O)O)cc1S(=O)(=O)F	238856511	WCDIRYPMNOLZQD-UHFFFAOYSA-N	232.232	1.605	70	50	BDIA	
O=S(=O)(F)Oc1cccc(N2CCCC2)c1	1875374472	RUAYEXRUXYRYNZ-UHFFFAOYSA-N	245.275	1.880	70	50	BDIA	
F[BH2-]C(F)(F)I	226458656	YDDMLCPIRZKNHW-UHFFFAOYSA-N	208.737	1.025	70	50	BDIA	
O=[N+]([O-])c1ccc(CS(=O)(=O)Cl)cc1	95749467	CAXRPEAFHWDFTD-UHFFFAOYSA-N	235.648	1.663	70	50	BDIA	
O=S(=O)(F)N1CC(c2ccc(Cl)cc2)C1	1875375209	VAIAMPUGSXDEKF-UHFFFAOYSA-N	249.694	1.954	70	50	BDIA	
Nc1ccc(F)c(OS(=O)(=O)F)c1	1875390002	GAOGBRRYDKKUMV-UHFFFAOYSA-N	209.173	1.001	70	50	BDIA	
COc1cccc(OC)c1OS(=O)(=O)F	1875389901	KXYFBIXSLZYVKB-UHFFFAOYSA-N	236.220	1.297	70	50	BDIA	
COC[C@@H]1CCCN1Cc1ccc(N(C)C)nc1	217068667	MAFWJTLLCZIKFR-ZDUSSCGKSA-N	249.358	1.758	70	50	BDIA	
O=S(=O)(F)Oc1ccc2c(c1)OCCCO2	1875390081	UOVUJYHXQWEFLO-UHFFFAOYSA-N	248.231	1.441	70	50	BDIA	
O=S(=O)(Cl)CCc1ccc(F)cc1	95698084	YPVFLPWWOHVBBO-UHFFFAOYSA-N	222.668	1.937	70	50	BDIA	in-vitro
Cc1cc(O)ccc1C(=O)N(C)Cc1cc[nH]n1	217059909	FWJSNJFGVLTYMM-UHFFFAOYSA-N	245.282	1.696	70	50	BDIA	
O=S(=O)(F)c1ncccc1C(F)F	1772717671	WCQYPIBTCWETMT-UHFFFAOYSA-N	211.164	1.677	70	50	BDIA	
Cc1c(S(=O)(=O)F)c(C(F)(F)F)nn1C	675065110	ZYONJVKDKBDPMD-UHFFFAOYSA-N	246.185	1.406	70	50	BDIA	
CN(Cc1cccc2c1OCO2)S(=O)(=O)F	1875375285	XHMKKDMGLGFPPI-UHFFFAOYSA-N	247.247	1.061	70	50	BDIA	
O=C1Nc2ccc(S(=O)(=O)Cl)cc2CO1	217588093	ZGFSCIJIFWGMBK-UHFFFAOYSA-N	247.659	1.676	70	50	BDIA	
O=Cc1sccc1S(=O)(=O)Cl	675051388	IUVOFBIHFFUPFJ-UHFFFAOYSA-N	210.663	1.488	70	50	BDIA	
O=S(=O)(F)[C@@H]1CCc2ccccc2C1	675067063	XRCSCFQNQLSUOV-SNVBAGLBSA-N	214.261	1.843	70	50	BDIA	
Cc1cncc(S(=O)(=O)Cl)c1C	953050004	KOLAPUNNETTYLH-UHFFFAOYSA-N	205.666	1.626	70	50	BDIA	
CO[C@@H](CS(=O)(=O)Cl)C(C)C	257891912	ULFIPEGMJVMGLG-LURJTMIESA-N	200.687	1.226	70	50	BDIA	
CN(Cc1ncc[nH]1)C(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	218642069	KZFDKKGMZHIFSC-NVRFYQKYSA-N	245.326	1.660	70	50	BDIA	
N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)F	238857237	YKWBINZNKKWEJP-UHFFFAOYSA-N	230.176	1.125	70	50	BDIA	
CCCn1cc(S(=O)(=O)Cl)c(C)n1	59681480	MHMMJWSVCOHMGK-UHFFFAOYSA-N	222.697	1.529	70	50	BDIA	in-vitro
CCn1nc(C)c(S(=O)(=O)F)c1C	238850416	BJVRSYMZKZTETH-UHFFFAOYSA-N	206.242	1.178	70	50	BDIA	
O=S(=O)(F)C1=Cc2ccccc2OC1	675065503	ICHLMSUUOCUZMW-UHFFFAOYSA-N	214.217	1.719	70	50	BDIA	
Cc1cc(OS(=O)(=O)C(F)(F)F)on1	100132797	DPAKBTVUDKNQAG-UHFFFAOYSA-N	231.151	1.211	70	50	BDIA	
F[B-](F)(F)c1ccc(CN2CCOCC2)cc1	169746067	TVECCYPUDGMLCZ-UHFFFAOYSA-N	244.045	1.573	70	50	BDIA	in-vitro
O=S(=O)(F)c1cc2c(o1)CCCC2	675066416	OLNATVGCUJEHMT-UHFFFAOYSA-N	204.222	1.817	70	50	BDIA	
O=C1CCc2ccc(OS(=O)(=O)F)cc21	1875375728	NJHBDTIYLURTHH-UHFFFAOYSA-N	230.216	1.409	70	50	BDIA	
O=C1CCc2c1cccc2S(=O)(=O)Cl	307224546	BLWPETYKWUHVLZ-UHFFFAOYSA-N	230.672	1.743	70	50	BDIA	
COc1cccc(O)c1S(=O)(=O)F	725378654	AUYBXQNVSBYTDZ-UHFFFAOYSA-N	206.194	1.059	70	50	BDIA	
O=C(CC1(n2cccc2)CCOCC1)NC1CC1	218327799	VKSBILUTTCWAPI-UHFFFAOYSA-N	248.326	1.663	70	50	BDIA	
Cc1ccc(S(=O)(=O)Cl)cc1C#N	100554263	XEKZJZSKGFKEJZ-UHFFFAOYSA-N	215.661	1.794	70	50	BDIA	in-vitro
Cc1nn(C(F)F)cc1S(=O)(=O)F	675064211	DKVTVSYAWFNUTC-UHFFFAOYSA-N	214.168	1.245	70	50	BDIA	
Cc1nn(CC(C)C)cc1S(=O)(=O)Cl	59681490	XSNOCSNKESSTGM-UHFFFAOYSA-N	236.724	1.775	70	50	BDIA	in-vitro
CCc1nnc(COc2c(C)nn(C)c2C)o1	160905272	BXLKFBCXJPXJEP-UHFFFAOYSA-N	236.275	1.561	70	50	BDIA	
O=C1CCCc2ccc(S(=O)(=O)F)cc21	238856593	WJIJSAGPHAOQHW-UHFFFAOYSA-N	228.244	1.864	70	50	BDIA	
CS(=O)(=O)c1cccc([B-](F)(F)F)c1	216708603	ZZOPNZTUAFIXJK-UHFFFAOYSA-N	223.004	1.145	70	50	BDIA	
CC(C)c1ncc(CN(C)S(=O)(=O)F)cn1	1875373521	DILXMBKXPWDBHG-UHFFFAOYSA-N	247.295	1.246	70	50	BDIA	
CC(=O)Nc1nc(C)c(S(=O)(=O)F)s1	675063156	KRHSWBLACJPEHY-UHFFFAOYSA-N	238.265	1.068	70	50	BDIA	
O=S(=O)(F)Oc1cccc(OC2CC2)c1	1875390088	WGFKMBIRRNOTHG-UHFFFAOYSA-N	232.232	1.821	70	50	BDIA	
Cc1cc(=O)c(O)c([C@H](CC(N)=O)C(C)C)o1	217764678	BBHNKXKPADYZMH-MRVPVSSYSA-N	239.271	1.269	70	50	BDIA	biogenic
CN(C)C(=O)c1cccc(S(=O)(=O)F)c1	238852872	HNSLSJDBNIILIX-UHFFFAOYSA-N	231.248	1.047	70	50	BDIA	
O=S(=O)(F)c1c(Cl)nc2ccccn12	238857049	XWHOOXNPTOJEGQ-UHFFFAOYSA-N	234.639	1.646	70	50	BDIA	
F[B-](F)(F)c1cnn([C@H]2CCCCO2)c1	170174511	TYMCGBWUIVMODC-MRVPVSSYSA-N	218.995	1.637	70	50	BDIA	
COC1(CS(=O)(=O)Cl)CCCCC1	257834361	AGUFKLSJMGEQCP-UHFFFAOYSA-N	226.725	1.904	70	50	BDIA	
CC(C)n1cc(S(=O)(=O)Cl)cn1	100259196	NMTQIKMRKYKKBZ-UHFFFAOYSA-N	208.670	1.392	70	50	BDIA	in-vitro
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)F	238853791	LCLGLCKMCQTHRR-UHFFFAOYSA-N	239.611	1.906	70	50	BDIA	
O=S(=O)(F)c1ccc(Cl)c2nonc12	675064634	OACTYHJBAIQVDR-UHFFFAOYSA-N	236.611	1.534	70	50	BDIA	
C=C(Br)CS(=O)(=O)F	307628381	TYJMQEDWMOIJGM-UHFFFAOYSA-N	203.032	1.194	70	50	BDIA	in-vitro
Cc1cc(S(=O)(=O)F)ccc1C(=O)O	238853730	KNWRRJFDXKCHRW-UHFFFAOYSA-N	218.205	1.351	70	50	BDIA	
CN(C)C(=O)c1ccc([B-](F)(F)F)cc1	170014598	LKNGTBBIEQQDKD-UHFFFAOYSA-N	215.991	1.443	70	50	BDIA	
O=S(=O)(F)N1CCC[C@H]2CCCC[C@H]21	1772717675	WFANIWUXNZZIIT-RKDXNWHRSA-N	221.297	1.855	70	50	BDIA	
COc1ccc(OCCCS(=O)(=O)F)cc1	675064642	ORNBEFATHIYKQD-UHFFFAOYSA-N	248.275	1.763	70	50	BDIA	
O=Cc1ccccc1S(=O)(=O)Cl	100110997	GSUMVXPZWCITFC-UHFFFAOYSA-N	204.634	1.427	70	50	BDIA	
CCOc1ccncc1S(=O)(=O)F	675064584	MAJHVZNDKJIDPG-UHFFFAOYSA-N	205.210	1.139	70	50	BDIA	
CN(C)C(=O)c1ccc(C(F)(F)F)cn1	161102763	GUNWRJIGBBJVKF-UHFFFAOYSA-N	218.178	1.802	70	50	BDIA	
CC(C)C[C@@H](Nc1ncncn1)c1ncnn1C	218059223	NWAKKJYOZVVSDP-SECBINFHSA-N	247.306	1.199	70	50	BDIA	
COC(=O)c1ccc(C)c(S(=O)(=O)F)c1	675063614	YFOWWBOGEFRRND-UHFFFAOYSA-N	232.232	1.440	70	50	BDIA	
C[Si](C)(C)COS(=O)(=O)C(F)(F)F	169876225	VMDMAAJZSXXCQV-UHFFFAOYSA-N	236.287	1.730	70	50	BDIA	
Cc1nn(CC(C)C)cc1S(=O)(=O)F	675064724	RQVHERHYQBRYSM-UHFFFAOYSA-N	220.269	1.506	70	50	BDIA	
CC(C)C[C@H](Nc1ncncn1)c1ncnn1C	218059283	NWAKKJYOZVVSDP-VIFPVBQESA-N	247.306	1.199	70	50	BDIA	
O=S(=O)(Cl)c1cnc(Cl)s1	100013267	QQXPCBIWAJSOPB-UHFFFAOYSA-N	218.086	1.724	70	50	BDIA	in-vitro
O=S(=O)(Cl)c1cnc2[nH]ccc2c1	211915000	WHSYKGZAIHQKGJ-UHFFFAOYSA-N	216.649	1.490	70	50	BDIA	
O=S(=O)(F)Oc1cccc2c1OCCCO2	2325890448	DPSFLCDYDUOGDV-UHFFFAOYSA-N	248.231	1.441	70	50	BDIA	
CC(C)(C)OC(=O)N1CCS(=N)(=O)CC1	218425053	YCOLCFXJGBOPGF-UHFFFAOYSA-N	234.321	1.284	70	50	BDIA	
Cc1nccc(S(=O)(=O)F)c1Cl	1857786460	PCVHZNONYGBCJP-UHFFFAOYSA-N	209.629	1.702	70	50	BDIA	
CC(=O)c1cccc(S(=O)(=O)Cl)c1	51943700	CGMBNEIGZOCPPP-UHFFFAOYSA-N	218.661	1.817	70	50	BDIA	in-vitro
O=S(=O)(F)c1cccc(Br)n1	306709474	RDFVBVFJHZEHRJ-UHFFFAOYSA-N	240.053	1.502	70	50	BDIA	
O=c1[nH]c2ccc(S(=O)(=O)Cl)cc2s1	59681439	XTLMRZGHSSZIIR-UHFFFAOYSA-N	249.700	1.517	70	50	BDIA	
O=S(=O)(Cl)c1cn2c(n1)CCCC2	97956511	FTEDHFJCOKFOHL-UHFFFAOYSA-N	220.681	1.147	70	50	BDIA	in-vitro
O=S(=O)(Cl)c1ccc2c(c1)OCO2	59681363	ICUBASIDCXDQAW-UHFFFAOYSA-N	220.633	1.343	70	50	BDIA	in-vitro
N#Cc1ccc(F)cc1S(=O)(=O)Cl	100014567	WGFLZPKSPVMZOA-UHFFFAOYSA-N	219.624	1.625	70	50	BDIA	in-vitro
COc1ncc(Cl)cc1S(=O)(=O)F	1772717982	NSCUXFVYGXDOAK-UHFFFAOYSA-N	225.628	1.402	70	50	BDIA	
CCc1cc(C(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)ccn1	217498232	NWHBAYXSXCYDPS-UPJWGTAASA-N	246.310	1.551	70	50	BDIA	
O=S(=O)(F)c1cncc(Br)c1	606290134	HLOXACKFWCCLEM-UHFFFAOYSA-N	240.053	1.502	70	50	BDIA	
O=S(=O)(F)c1cnc(F)c(Cl)c1	725343645	PARZZSYIHCEZCS-UHFFFAOYSA-N	213.592	1.532	70	50	BDIA	
O=Cc1ccc(S(=O)(=O)Cl)cc1	32098893	MSWSPWGBDIQKKR-UHFFFAOYSA-N	204.634	1.427	70	50	BDIA	in-vitro
O=S(=O)(F)c1cc(F)c(F)c(F)c1	139290348	BTKPNOMPDZJQMO-UHFFFAOYSA-N	214.139	1.762	70	50	BDIA	
O=S(=O)(Cl)c1ccc(-c2ccno2)o1	95691875	AWYRXMXRSGZTEN-UHFFFAOYSA-N	233.632	1.862	70	50	BDIA	
O=C(O)c1cc(S(=O)(=O)F)c(F)cc1F	675062904	CTFWDBDJPDWWIE-UHFFFAOYSA-N	240.158	1.321	70	50	BDIA	
COc1ccc(S(=O)(=O)Cl)cc1F	59654535	QIVDOYCKCLEKPL-UHFFFAOYSA-N	224.640	1.762	70	50	BDIA	in-vitro
O=S(=O)(F)c1ccc2c(c1)CCCN2	713031722	ZHELHJZKVUOPMD-UHFFFAOYSA-N	215.249	1.703	70	50	BDIA	
CC[C@]1(C)CC[C@H](CS(=O)(=O)F)O1	1772718064	REWNBKOKARIJNF-HTQZYQBOSA-N	210.270	1.633	70	50	BDIA	
CCCCN(CCC)S(=O)(=O)Cl	100552868	PBTZEPUKQRYDEV-UHFFFAOYSA-N	213.730	1.982	70	50	BDIA	
Cc1nc2cc(OS(=O)(=O)F)ccc2o1	1875390116	ZYQDJQQCNHBVMK-UHFFFAOYSA-N	231.204	1.729	70	50	BDIA	
CC1=CCN(C(=O)c2ncccc2O)CC1	160224933	IFNJLDLVPQHJOX-UHFFFAOYSA-N	218.256	1.579	70	50	BDIA	
Cc1cc(S(=O)(=O)Cl)cnc1Cl	100635601	SMRVMBZCJFWJFF-UHFFFAOYSA-N	226.084	1.971	70	50	BDIA	in-vitro
CC(=O)Nc1ccc(S(=O)(=O)F)cc1	100064555	HRQHLUBMODFETM-UHFFFAOYSA-N	217.221	1.303	70	50	BDIA	
O=C(c1ccc([B-](F)(F)F)cc1)N1CCCC1	169746044	UPGWMNFRPNBTML-UHFFFAOYSA-N	242.029	1.977	70	50	BDIA	in-vitro
CC[C@H](C)[C@H](N)C(=O)N(C)CCSC	159597337	OBSADOCXFLGHPT-IUCAKERBSA-N	218.366	1.181	70	50	BDIA	
O=S(=O)(F)c1cccc(C2OCCO2)c1	1772715971	FMCXMTPBOFDWJP-UHFFFAOYSA-N	232.232	1.390	70	50	BDIA	
O=S(=O)(Cl)c1cccnc1Cl	59796864	MFJSIQDQIZEVJX-UHFFFAOYSA-N	212.057	1.663	70	50	BDIA	in-vitro
O=S(=O)(Cl)CCc1ccccc1F	95698086	XKGTZBGUSUFCHC-UHFFFAOYSA-N	222.668	1.937	70	50	BDIA	in-vitro
O=C1CCCN1c1ccc(S(=O)(=O)F)cc1	238854069	MOFUTAOBJMVVGZ-UHFFFAOYSA-N	243.259	1.472	70	50	BDIA	
Cl[SiH](c1ccccc1)c1ccccc1	169746881	VTMOWGGHUAZESJ-UHFFFAOYSA-N	218.759	1.763	70	50	BDIA	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)F	238853297	IXXOCBCDYZFTNQ-UHFFFAOYSA-N	219.193	1.561	70	50	BDIA	
O=[N+]([O-])c1cccc(S(=O)(=O)Cl)c1	95713101	MWWNNNAOGWPTQY-UHFFFAOYSA-N	221.621	1.522	70	50	BDIA	in-vitro
C[C@@H](N(C)S(=O)(=O)Cl)C(F)(F)F	100587320	XGJHAAXYPJTPDR-GSVOUGTGSA-N	225.619	1.353	70	50	BDIA	
Cn1cc2ccc(S(=O)(=O)Cl)cc2n1	103538721	KAHDLORSPRSHEI-UHFFFAOYSA-N	230.676	1.501	70	50	BDIA	
O=[N+]([O-])c1cc([B-](F)(F)F)ccc1F	170009981	GDWSYGDUTKZMQL-UHFFFAOYSA-N	207.899	1.788	70	50	BDIA	
Cc1cnccc1CN(C)S(=O)(=O)F	1875373019	RWAHQXXLAGLHON-UHFFFAOYSA-N	218.253	1.036	70	50	BDIA	
Cn1cnc2ccc(OS(=O)(=O)F)cc21	1875390033	MMDKCDWRDQLNAD-UHFFFAOYSA-N	230.220	1.166	70	50	BDIA	
N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1	160196807	FVFSLHJEMSTULN-FRRDWIJNSA-N	236.359	1.762	70	50	BDIA	
CCc1ncnc(NCc2cnn(C)c2C)c1F	218086196	ZHLGDNHVWCRULD-UHFFFAOYSA-N	249.293	1.832	70	50	BDIA	
COc1ccc(S(=O)(=O)Cl)cn1	100003425	OMLIVJOTRYWHNY-UHFFFAOYSA-N	207.638	1.018	70	50	BDIA	in-vitro
O=S(=O)(Cl)c1cccc2c1OCCO2	100146636	WPRMKPUAZYSFOY-UHFFFAOYSA-N	234.660	1.385	70	50	BDIA	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)F	675063269	PQWXOMLVUCRXDH-UHFFFAOYSA-N	220.269	1.739	70	50	BDIA	
C[Si](C)(C)CCS(=O)(=O)Cl	169996698	BLPMCIWDCRGIJV-UHFFFAOYSA-N	200.763	1.893	70	50	BDIA	in-vitro
O=C(NC[C@@H]1CCOC1)OCc1ccccc1	218673145	QZKMPOJLSPSHQC-LBPRGKRZSA-N	235.283	1.949	70	50	BDIA	in-vitro
Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Cl	100153604	YXMVUZPGYIFYKM-UHFFFAOYSA-N	247.659	1.357	70	50	BDIA	in-vitro
O=S(=O)(F)c1cccc2c1NCCC2	1775956617	FVXYGAPMEIARIQ-UHFFFAOYSA-N	215.249	1.703	70	50	BDIA	
Cn1cc2cccc(S(=O)(=O)Cl)c2n1	103539420	OKGUGXQXIHUXDI-UHFFFAOYSA-N	230.676	1.501	70	50	BDIA	
COc1cccc(CS(=O)(=O)Cl)c1	60288397	HIBDAKCYUPOBNR-UHFFFAOYSA-N	220.677	1.764	70	50	BDIA	in-vitro
COc1ccc(C)cc1S(=O)(=O)Cl	59654533	BJYNYQGJTZULJI-UHFFFAOYSA-N	220.677	1.931	70	50	BDIA	in-vitro
O=S(=O)(F)Oc1cccc(-n2cccn2)c1	1875374343	LJXNYUNCDUWRAP-UHFFFAOYSA-N	242.231	1.465	70	50	BDIA	
CCCCn1cc(S(=O)(=O)Cl)c(C)n1	59681482	WVUBGXKRBPBSJF-UHFFFAOYSA-N	236.724	1.919	70	50	BDIA	in-vitro
CC(=O)OCCOc1ccc([B-](F)(F)F)cc1	170011622	ZKIQKYZCNZETIG-UHFFFAOYSA-N	247.001	1.683	70	50	BDIA	
Cc1ccc2nsnc2c1S(=O)(=O)Cl	95697948	TWWDPSJSTXBULL-UHFFFAOYSA-N	248.716	1.927	70	50	BDIA	in-vitro
O=S(=O)(F)c1ccnc2ccccc12	687728971	GVVHDCOFBIOZJP-UHFFFAOYSA-N	211.217	1.893	70	50	BDIA	
O=S(=O)(F)Oc1ccc2sncc2c1	1875390115	ZQZZJPKBQQRYIJ-UHFFFAOYSA-N	233.245	1.889	70	50	BDIA	
COc1cc(S(=O)(=O)F)ccc1O	224408368	KEVQIPNINYKAMP-UHFFFAOYSA-N	206.194	1.059	70	50	BDIA	
CO[C@@H](CS(=O)(=O)Cl)C1CCC1	259553456	UVPJXGJDCPLPNN-ZETCQYMHSA-N	212.698	1.370	70	50	BDIA	
Cc1ccnc(N[C@@H]2CCN3CCCC[C@@H]23)n1	217411571	GMEVBTZDVBCRCS-NEPJUHHUSA-N	232.331	1.824	70	50	BDIA	
COc1cc(S(=O)(=O)Cl)ccc1F	95671126	AJHUCNUEJYHKMR-UHFFFAOYSA-N	224.640	1.762	70	50	BDIA	in-vitro
CN(C)c1ccc(S(=O)(=O)F)cc1	100434642	PEPIURRSSSKGGA-UHFFFAOYSA-N	203.238	1.411	70	50	BDIA	
CCC(=O)Nc1ccc(S(=O)(=O)F)cc1	185106417	LRSQXZGZTGSNSV-UHFFFAOYSA-N	231.248	1.693	70	50	BDIA	
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[B-](F)(F)F	169746031	SMCVACYMJDYVMG-UHFFFAOYSA-N	248.933	1.866	70	50	BDIA	in-vitro
COc1ccc([B-](F)(F)F)cc1OC	169965511	GOLPHEGOLNWSQE-UHFFFAOYSA-N	204.964	1.758	70	50	BDIA	in-vitro
O=C=Nc1ccc(S(=O)(=O)F)cc1	148243326	HGBFBGIJWSLVHV-UHFFFAOYSA-N	201.178	1.312	70	50	BDIA	in-vitro
CCCOC(=O)c1ccc(S(=O)(=O)F)cc1	238833231	AFULQHUHKLWBDE-UHFFFAOYSA-N	246.259	1.912	70	50	BDIA	
COc1ccc(OC)c(S(=O)(=O)F)c1	103525319	HOHJQDUMZBLDDY-UHFFFAOYSA-N	220.221	1.362	70	50	BDIA	
c1ccc([BH-](c2ccccc2)c2ccccc2)cc1	170153633	DCISRTVDDJMWNE-UHFFFAOYSA-N	243.138	1.935	70	50	BDIA	
O=S(=O)(F)c1ccc2c(c1)OCC2	675065356	CLNATYJGQXBMOW-UHFFFAOYSA-N	202.206	1.280	70	50	BDIA	
O=[N+]([O-])c1cccc(CS(=O)(=O)Cl)c1	100002474	IUYFKLDRPZLAQQ-UHFFFAOYSA-N	235.648	1.663	70	50	BDIA	
COc1cc(C#N)ccc1OS(=O)(=O)F	1875375410	CBYDWXNXXZKCST-UHFFFAOYSA-N	231.204	1.160	70	50	BDIA	
O=S(=O)(Cl)c1c(F)ccnc1F	307057616	ZGBXLBGZGTWLGH-UHFFFAOYSA-N	213.592	1.287	70	50	BDIA	
O=S(=O)(Cl)c1cccc(F)c1F	100431625	VHCVYGNNCGAWBP-UHFFFAOYSA-N	212.604	1.892	70	50	BDIA	in-vitro
O=S(=O)(Cl)c1ccc2cn[nH]c2c1	100720678	DFUDXPXXTZSCSN-UHFFFAOYSA-N	216.649	1.490	70	50	BDIA	in-vitro
N#Cc1ccccc1S(=O)(=O)Cl	59796647	NQAYCMBZPAARNO-UHFFFAOYSA-N	201.634	1.486	70	50	BDIA	in-vitro
COC(=O)c1cc(S(=O)(=O)F)oc1C	675063154	KMULRAZAAOMUIC-UHFFFAOYSA-N	222.193	1.033	70	50	BDIA	
N#Cc1ccc(S(=O)(=O)Cl)cc1	59796646	DBMFYTQPPBBKHI-UHFFFAOYSA-N	201.634	1.486	70	50	BDIA	in-vitro
COCCOc1cccc([B-](F)(F)F)c1	169806901	ISGYQLWZLYVTPU-UHFFFAOYSA-N	218.991	1.766	70	50	BDIA	in-vitro
C[Si](C)(C)OS(=O)(=O)C(F)(F)F	169743086	FTVLMFQEYACZNP-UHFFFAOYSA-N	222.260	1.688	70	50	BDIA	
CC1(C)OCC(O)(CC[B-](F)(F)F)CO1	169984820	KXZILCMLSZCANC-UHFFFAOYSA-N	227.011	1.738	70	50	BDIA	
Cc1ccc(N[C@@H]2C[C@@H]3OCC[C@@H]32)nn1	217532918	MLXSRPDBZVQUEZ-BBBLOLIVSA-N	205.261	1.374	70	50	BDIA	
CCCCn1cc(S(=O)(=O)F)c(C)n1	675064798	SVWVKBWMLJIWGD-UHFFFAOYSA-N	220.269	1.650	70	50	BDIA	
CCOc1ccc(S(=O)(=O)F)cc1C(=O)O	675063132	JDUPNUXFFDZANY-UHFFFAOYSA-N	248.231	1.442	70	50	BDIA	
O=S(=O)(F)Cc1ccc(F)cc1F	675065560	KVSYLPDJDWVCNP-UHFFFAOYSA-N	210.176	1.764	70	50	BDIA	
CN1CCn2nc([C@@H](O)c3ccccc3)cc2C1	217002613	RQDGLNYZJNMCED-AWEZNQCLSA-N	243.310	1.410	70	50	BDIA	
O=S(=O)(F)c1c(Cl)nc2sccn12	675063722	MGBCOFPYKDLZKJ-UHFFFAOYSA-N	240.668	1.707	70	50	BDIA	
F[B-](F)(F)c1ccc([B-](F)(F)F)cc1	199799718	AUWHURPHXDQJTN-UHFFFAOYSA-N	211.710	1.795	70	50	BDIA	
CC[C@@H](C)[C@@H](N)C(=O)N(C)CCSC	159597462	OBSADOCXFLGHPT-RKDXNWHRSA-N	218.366	1.181	70	50	BDIA	
CC(C)(C)OC(=O)Nc1ccc2c(c1)B(O)OC2	169746096	PHTYIDJNPFQYPQ-UHFFFAOYSA-N	249.075	1.251	70	50	BDIA	in-vitro
O=S(=O)(F)Oc1ccc(-n2cccn2)cc1	1875374581	XLGGCWNOFRBHST-UHFFFAOYSA-N	242.231	1.465	70	50	BDIA	
O=S(=O)(F)c1cnc2onc(C3CC3)c2c1	675065514	IIUTVADHTDQCMT-UHFFFAOYSA-N	242.231	1.758	70	50	BDIA	
O=S(=O)(F)c1cnc2ccccc2n1	307067719	YNLVTHFJEVZPHF-UHFFFAOYSA-N	212.205	1.288	70	50	BDIA	
Cc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]	59796812	OQFYBGANSUNUAO-UHFFFAOYSA-N	235.648	1.831	70	50	BDIA	in-vitro
CC(=O)Nc1ccc(O)c(S(=O)(=O)F)c1	675063594	XNAKCDHXPXDSIP-UHFFFAOYSA-N	233.220	1.009	70	50	BDIA	
O=C(CC[B-](F)(F)F)N1CCOCC1	169794525	IXJKFHOXRDURQG-UHFFFAOYSA-N	209.984	1.083	70	50	BDIA	in-vitro
O=S(=O)(F)c1ccc(C(F)(F)F)cn1	616582312	MCJUWZWWFSIMHG-UHFFFAOYSA-N	229.154	1.759	70	50	BDIA	
O=S(=O)(F)Oc1cnc2c(c1)CCCC2	1875390085	VDDLYDGPNPRPGH-UHFFFAOYSA-N	231.248	1.554	70	50	BDIA	
COC(=O)c1ccc([B-](F)(F)F)cc1F	216708869	DDVVNEVCMGXAIY-UHFFFAOYSA-N	220.938	1.667	70	50	BDIA	
O=C(c1ccc(S(=O)(=O)F)cc1)C1CC1	1775996683	DKDSTCXBBKGQDG-UHFFFAOYSA-N	228.244	1.938	70	50	BDIA	
O=S(=O)(F)N1CCC[C@@H]2CCCC[C@H]21	1772717673	WFANIWUXNZZIIT-DTWKUNHWSA-N	221.297	1.855	70	50	BDIA	
CCOCC(=O)N[C@H](CC)c1ncccc1C	218305935	OIHDGKOEUYPNRS-LLVKDONJSA-N	236.315	1.994	70	50	BDIA	
O=C(O)c1cccc(S(=O)(=O)Cl)c1F	224061332	VVXPMHNYFDAEJU-UHFFFAOYSA-N	238.623	1.451	70	50	BDIA	
O=C(On1nnc2ccccc21)c1ccccc1	64549856	CENQUTVRMPTFCN-UHFFFAOYSA-N	239.234	1.700	70	50	BDIA	
CC(=O)N1CC(Nc2cccc(O)c2)=CC1=O	218515357	ABMUBSIXOKPTLM-UHFFFAOYSA-N	232.239	1.077	70	50	BDIA	
O=C1CCc2cc(S(=O)(=O)Cl)ccc2N1	66032850	ICRHXBNAKSHNRD-UHFFFAOYSA-N	245.687	1.499	70	50	BDIA	in-vitro
CCN(Cc1cc(C2CC2)on1)S(=O)(=O)F	1875374634	BIRFSOUWDJAXRH-UHFFFAOYSA-N	248.279	1.588	70	50	BDIA	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)Cl)C1	100095210	RPGSVLHMPDNRFE-RNFRBKRXSA-N	211.714	1.448	70	50	BDIA	in-vitro
F[B-](F)(F)CI	169746157	PAOXGTYHNMXOMO-UHFFFAOYSA-N	208.737	1.808	70	50	BDIA	in-vitro
O=S(=O)(Cl)CCCC(F)(F)F	80317338	FCBIRUMSQYSMOL-UHFFFAOYSA-N	210.604	1.898	70	50	BDIA	in-vitro
CC[C@H](N)C(=O)N[C@H]1CCC[C@H](SC)C1	161124272	KVNJSHCJVWKDGP-GUBZILKMSA-N	230.377	1.514	70	50	BDIA	
O=S(=O)(Cl)CCc1ccncc1	59979540	WHXRBCKHWPNHMP-UHFFFAOYSA-N	205.666	1.193	70	50	BDIA	
CN(C)[C@H]1CCN(C(=O)N2CCCCCC2)C1	160554788	YPXHRAVGGAWMFN-LBPRGKRZSA-N	239.363	1.618	70	50	BDIA	
O=S(=O)(Cl)C[C@H]1CC[C@@H](F)C1	257830392	HGDBCNWSUOTLFY-NTSWFWBYSA-N	200.662	1.693	70	50	BDIA	
C#CCNC(=O)c1ccc([B-](F)(F)F)cc1	169998098	BFVDJLSSXNHJRC-UHFFFAOYSA-N	225.986	1.104	70	50	BDIA	
CC(C)(C)c1ocnc1CS(=O)(=O)F	1857778523	SLLFHBRWXJSXLZ-UHFFFAOYSA-N	221.253	1.771	70	50	BDIA	
O=S(=O)(F)N1Cc2cccc(F)c2C1	1875373764	OBPSWGCPCSJFGA-UHFFFAOYSA-N	219.212	1.356	70	50	BDIA	
COc1cc(C)ccc1S(=O)(=O)Cl	100029178	BEDNMYGUVYQPTP-UHFFFAOYSA-N	220.677	1.931	70	50	BDIA	
O=S(=O)(F)C[C@H]1CC[C@@H](C(F)(F)F)O1	1772717589	OBRGCMQWZSBYRK-UHNVWZDZSA-N	236.186	1.396	70	50	BDIA	
COc1ccc(OC)c(S(=O)(=O)Cl)c1	59654530	SHELADVIRCCTFN-UHFFFAOYSA-N	236.676	1.631	70	50	BDIA	in-vitro
O=S(=O)(OC1=CCOCC1)C(F)(F)F	100012035	QXCAHEXKUMUTRF-UHFFFAOYSA-N	232.179	1.157	70	50	BDIA	in-vitro
O=[N+]([O-])c1ccc(S(=O)(=O)F)cc1	85547531	HRLAPUHJWRZEIC-UHFFFAOYSA-N	205.166	1.253	70	50	BDIA	in-vitro
O=S(=O)(F)Oc1ccccc1OC(F)F	1875390106	YWUHWIOIKDEWMG-UHFFFAOYSA-N	242.174	1.881	70	50	BDIA	
O=S(=O)(F)c1cccc2cnccc12	606282377	CZRBGMSFTONFNE-UHFFFAOYSA-N	211.217	1.893	70	50	BDIA	
COc1cc(C(F)(F)F)ccc1[C@@H](O)CN	216896369	JVFFEVWIQNIVGA-QMMMGPOBSA-N	235.205	1.706	70	50	BDIA	
CCn1nc(C)c(S(=O)(=O)Cl)c1C	59681386	RQCJMZFSOMFEOT-UHFFFAOYSA-N	222.697	1.447	70	50	BDIA	in-vitro
O=C(NCCc1cccc(O)c1)[C@H]1CCOC1	160246443	KDBLYZAUMWRJFT-NSHDSACASA-N	235.283	1.087	70	50	BDIA	
O=C(Nc1ccnn1CC1CC1)c1cccnc1	159751061	OMGAOMPJIIVRKZ-UHFFFAOYSA-N	242.282	1.940	70	50	BDIA	
N#Cc1ccccc1CS(=O)(=O)Cl	100011606	OJOPRZBXIJOTKB-UHFFFAOYSA-N	215.661	1.627	70	50	BDIA	in-vitro
O=S(=O)(F)N1CC[C@@H]2CCCC[C@@H]2C1	1772717416	AVOXGONYDOMMAE-DTWKUNHWSA-N	221.297	1.713	70	50	BDIA	
O=C(NC[B-](F)(F)F)c1ccccc1	200976330	YFTWUQAKICEEBR-UHFFFAOYSA-N	201.964	1.803	70	50	BDIA	in-vitro
O=S(=O)(F)c1ccc(Br)o1	675062816	BLOOWHYEGMAMPS-UHFFFAOYSA-N	229.026	1.700	70	50	BDIA	
Cc1ccnc(OS(=O)(=O)C(F)(F)F)c1	100010938	AZUJRVRRUXHHDV-UHFFFAOYSA-N	241.190	1.618	70	50	BDIA	in-vitro
O=C(NC[C@H]1CCOC1)OCc1ccccc1	218673050	QZKMPOJLSPSHQC-GFCCVEGCSA-N	235.283	1.949	70	50	BDIA	in-vitro
COc1ccc(F)c(S(=O)(=O)F)c1OC	1772717851	BBBOWMQUXDOKCG-UHFFFAOYSA-N	238.211	1.501	70	50	BDIA	
O=S(=O)(F)Oc1ccc(-n2ccnc2)cc1	1875375444	DDYUJLJVBRIZGG-UHFFFAOYSA-N	242.231	1.465	70	50	BDIA	
O=C(NC[B-](F)(F)F)c1ccc(F)nc1	208327864	KDJPOPAMNWXKJM-UHFFFAOYSA-N	220.942	1.337	70	50	BDIA	
CC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1	218509485	SEFBICNSLJIETJ-ZIAGYGMSSA-N	249.310	1.497	70	50	BDIA	
O=S(=O)(Cl)c1cnc2ccccn12	100042835	YUTXXNKKOHPXOL-UHFFFAOYSA-N	216.649	1.262	70	50	BDIA	in-vitro
Cc1ccc2nn(C)cc2c1[B-](F)(F)F	208326713	NYJWTQCXMOHVAH-UHFFFAOYSA-N	212.991	1.936	70	50	BDIA	
COCc1ccccc1OS(=O)(=O)F	1875389927	PTEWYCDGYYTAAS-UHFFFAOYSA-N	220.221	1.426	70	50	BDIA	
CCn1nc(C)cc1S(=O)(=O)Cl	100294867	QQBFNCQPUTUDPV-UHFFFAOYSA-N	208.670	1.139	70	50	BDIA	in-vitro
CC/C=C(\C)C(=O)NC[C@@H]1CCCNC1	217462221	NFKVRSYKBWFTIP-IGLBNKAOSA-N	210.321	1.459	70	50	BDIA	
O=S(=O)(Cl)c1ccc2c(c1)CCO2	59803910	RVWYPBARHGPULM-UHFFFAOYSA-N	218.661	1.549	70	50	BDIA	in-vitro
O=S(=O)(Cl)c1ncc(F)cc1F	97973126	CIOHIQODKNEMPI-UHFFFAOYSA-N	213.592	1.287	70	50	BDIA	
Cc1nc(Cl)sc1S(=O)(=O)F	675063508	VYWKXKSFFKCFIF-UHFFFAOYSA-N	215.658	1.763	70	50	BDIA	
O=S(=O)(Cl)c1cnccc1Cl	100003417	KCNWYJPUGJYMNO-UHFFFAOYSA-N	212.057	1.663	70	50	BDIA	in-vitro
O=C(O)CCc1ccc(S(=O)(=O)F)cc1	238857293	YRHOCAXPYRDPPX-UHFFFAOYSA-N	232.232	1.362	70	50	BDIA	
O=S(=O)(F)c1cnc2ccccc2c1	675065322	FTMYLTSXVQUNLA-UHFFFAOYSA-N	211.217	1.893	70	50	BDIA	
O=S(=O)(F)N1Cc2cccc(Cl)c2C1	1875374959	LVTLAHKDKMTNNM-UHFFFAOYSA-N	235.667	1.870	70	50	BDIA	
CCOc1ncccc1S(=O)(=O)F	1772718023	PTCVSYNTMMKTJL-UHFFFAOYSA-N	205.210	1.139	70	50	BDIA	
CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)F	1875373599	HQUFLWYZMZLOAO-UHFFFAOYSA-N	247.247	1.061	70	50	BDIA	
Cc1cnccc1CN(C)C(=O)c1cnco1	218742452	QYPKWVBSRMYSOH-UHFFFAOYSA-N	231.255	1.650	70	50	BDIA	
O=S(=O)(F)CCN1CCc2ccccc21	394674469	QZAIPJCMAIDJCV-UHFFFAOYSA-N	229.276	1.348	70	50	BDIA	
Nc1ccc(C(=O)NCCC[C@@H]2CCOC2)cn1	218364053	DPRQDHAQWXUPGI-SNVBAGLBSA-N	249.314	1.210	70	50	BDIA	
O=S(=O)(F)C[C@H]1CC2(CCC2)CO1	675066498	PTTQMDVPSWXDNY-SSDOTTSWSA-N	208.254	1.245	70	50	BDIA	
O=C(NCc1ccccc1)N[C@@H]1C[C@@H]2OCC[C@@H]21	217336422	SXYUCHGUXJFYGI-UPJWGTAASA-N	246.310	1.663	70	50	BDIA	
O=S(=O)(Cl)CCc1ccccc1	59880456	LKFNLHZZPHHFEC-UHFFFAOYSA-N	204.678	1.798	70	50	BDIA	in-vitro
COCOc1cccc(S(=O)(=O)F)c1	1772770862	RLYZWXYIVACCSN-UHFFFAOYSA-N	220.221	1.328	70	50	BDIA	
O=S(=O)(F)CCc1ccc(F)nc1	1775956031	IPRKCOJCTDFFMI-UHFFFAOYSA-N	207.201	1.063	70	50	BDIA	
Cc1cc(C)n(C[C@@H](C)NC(=O)c2cnc[nH]2)n1	218597480	VGMZFYDSWADRGD-SECBINFHSA-N	247.302	1.042	70	50	BDIA	
Nc1cc(C(=O)O)cc([B-](F)(F)F)c1	169977953	JNIWKYKZFKZQDA-UHFFFAOYSA-N	203.936	1.021	70	50	BDIA	
O=[N+]([O-])c1cccc(S(=O)(=O)F)c1	100035964	CWFLJNDQTKMBAM-UHFFFAOYSA-N	205.166	1.253	70	50	BDIA	
O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c(F)c1	100580424	FNCNMVPZFVXQTL-UHFFFAOYSA-N	239.611	1.661	70	50	BDIA	
O=S(=O)(Cl)N1CCC[C@@H]1C(F)(F)F	100587108	VFJOXJIZMPYFSB-SCSAIBSYSA-N	237.630	1.497	70	50	BDIA	
O=S(=O)(Cl)c1cnc(Cl)nc1Cl	100115660	ZPTJJFUQGKXOKC-UHFFFAOYSA-N	247.490	1.711	70	50	BDIA	
O=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1O	100000851	FRIDVSSBTNZNJD-UHFFFAOYSA-N	237.620	1.228	70	50	BDIA	in-vitro
CC1=C(OS(=O)(=O)C(F)(F)F)CCC1=O	141623401	ABNUYUHNVPIZKK-UHFFFAOYSA-N	244.190	1.490	70	50	BDIA	
O=[N+]([O-])c1ccc(F)c(S(=O)(=O)F)c1	197382192	GOJZFEILALSXEO-UHFFFAOYSA-N	223.156	1.392	70	50	BDIA	
CC(=O)c1ccc(F)c(OS(=O)(=O)F)c1	1875389935	QXOAAXSWBHBFRS-UHFFFAOYSA-N	236.195	1.621	70	50	BDIA	
COC(=O)c1ccc(S(=O)(=O)Cl)cc1	100002453	MOFQDKOKODUZPK-UHFFFAOYSA-N	234.660	1.401	70	50	BDIA	in-vitro
N[C@H]1CC[C@@H](C(=O)Nc2cccc3n[nH]nc23)C1	216997787	XKTZHACOLBRJIF-SFYZADRCSA-N	245.286	1.024	70	50	BDIA	
COC(=O)c1cc(S(=O)(=O)Cl)oc1C	95707777	TXBNAYVBYGGPIZ-UHFFFAOYSA-N	238.648	1.302	70	50	BDIA	
CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1nc(C)c[nH]1)C2	217153104	BVNDJGXSKMDCLF-URLYPYJESA-N	249.314	1.215	70	50	BDIA	
CNC[C@H]1CCCN1C(=O)c1oc(C)cc1C	161208584	JLLBQEBBDUVKRO-LLVKDONJSA-N	236.315	1.720	70	50	BDIA	
CCCNCCNC[C@@H]1CCCOC1	161344621	IGUAKEWMJUGSIW-NSHDSACASA-N	200.326	1.002	70	50	BDIA	
CC1(C)OC(=O)c2cc(S(=O)(=O)F)ccc21	958717961	BQGWXNUIPOKMJQ-UHFFFAOYSA-N	244.243	1.750	70	50	BDIA	
CO[C@@](C)(CS(=O)(=O)F)c1ccccc1	675064610	MZZBISWNRQZLIZ-JTQLQIEISA-N	232.276	1.848	70	50	BDIA	
O=S(=O)(F)Oc1cccc(OC(F)F)c1	1875389952	UZNUNYXRORBHCT-UHFFFAOYSA-N	242.174	1.881	70	50	BDIA	
CC(C)Cn1cnc(S(=O)(=O)Cl)c1	100648382	CIBKLMOLSLHUCJ-UHFFFAOYSA-N	222.697	1.467	70	50	BDIA	in-vitro
N#Cc1c(Cl)cccc1S(=O)(=O)F	675063048	GXJSBBSPOIJYQF-UHFFFAOYSA-N	219.624	1.870	70	50	BDIA	
O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Cl	100580753	ALKFOTRKZGCLFU-UHFFFAOYSA-N	239.611	1.661	70	50	BDIA	in-vitro
COc1cccnc1NC1CCN(C)CC1	159471204	YTNFWDKRBLENIR-UHFFFAOYSA-N	221.304	1.596	70	50	BDIA	
Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)F	675062983	FHQGTQBPJMFMRD-UHFFFAOYSA-N	236.195	1.491	70	50	BDIA	
N/C(=C/S(=O)(=O)F)c1ccc(F)cc1	1857786147	WNJNMUFFYBJGTG-VMPITWQZSA-N	219.212	1.382	70	50	BDIA	
N#Cc1cc(OS(=O)(=O)F)ccc1Cl	1875374490	SUCJVQTZOKEHLD-UHFFFAOYSA-N	235.623	1.805	70	50	BDIA	
CCCn1cc(S(=O)(=O)F)c(C)n1	675064491	KHPYPQWYZJFEQN-UHFFFAOYSA-N	206.242	1.260	70	50	BDIA	
CC(C)c1cc(N)ccc1OS(=O)(=O)F	1875389902	LDWBWXPKLBWQOH-UHFFFAOYSA-N	233.264	1.985	70	50	BDIA	
O=S(=O)(Cl)c1ccc2nc[nH]c2c1	100146162	JNMLTUHOYVRGHB-UHFFFAOYSA-N	216.649	1.490	70	50	BDIA	
C[C@@H](O)C(C)(C)Nc1nc(C2CC2)ns1	161426952	VJJGBIDBSQNMJT-ZCFIWIBFSA-N	227.333	1.987	70	50	BDIA	
O=C=Nc1ccc(S(=O)(=O)Cl)cc1	100008790	PUXGCFRABSKGED-UHFFFAOYSA-N	217.633	1.581	70	50	BDIA	
COC(=O)c1ccc(OC)c(S(=O)(=O)F)c1	238854759	PEXSWWVVYPLMAW-UHFFFAOYSA-N	248.231	1.140	70	50	BDIA	
C[C@@H](c1ccncc1)N(C)S(=O)(=O)F	1875373605	HVMNJCHPBUUIAJ-ZETCQYMHSA-N	218.253	1.289	70	50	BDIA	
O=C(O)c1ccc(F)c(S(=O)(=O)Cl)c1	100031271	LZGZJLJZSAGDKR-UHFFFAOYSA-N	238.623	1.451	70	50	BDIA	in-vitro
COCCOc1cc([B-](F)(F)F)ccc1C#N	169808934	SIQIGZDXWWTAPN-UHFFFAOYSA-N	244.001	1.638	70	50	BDIA	
C/C=C(\C)CN1CCCn2nc(CO)cc2C1	217673425	WVSLMYNZKSUIJQ-QDEBKDIKSA-N	235.331	1.547	70	50	BDIA	
CCOC(=O)CN1CCO[C@H]2CCCC[C@H]21	217347022	NQVQHHVKTOGCGT-MNOVXSKESA-N	227.304	1.193	70	50	BDIA	
COc1ccccc1CN(C)S(=O)(=O)F	1875368319	IPTHITLWZCHWPW-UHFFFAOYSA-N	233.264	1.341	70	50	BDIA	
COc1ccc(S(=O)(=O)Cl)c2nonc12	59192662	TZIXZEFXYVOSTH-UHFFFAOYSA-N	248.647	1.159	70	50	BDIA	
O=S(=O)(Cl)Cc1ccccc1F	59681449	CJDWSUDXKHLMCY-UHFFFAOYSA-N	208.641	1.894	70	50	BDIA	in-vitro
O=S(=O)(Oc1ccccc1)C(F)(F)F	100010867	GRJHONXDTNBDTC-UHFFFAOYSA-N	226.175	1.915	70	50	BDIA	in-vitro
O=S(=O)(F)[C@H]1CCO[C@@H](C(F)(F)F)C1	757178860	MSFDZHUXJFEYFF-CRCLSJGQSA-N	236.186	1.396	70	50	BDIA	
O=S(=O)(F)c1nccc2ccccc12	307483140	AADRHRUHRRSHIM-UHFFFAOYSA-N	211.217	1.893	70	50	BDIA	
CCn1cc(S(=O)(=O)Cl)c(C)n1	59681423	CIMPNTHRHLIUSL-UHFFFAOYSA-N	208.670	1.139	70	50	BDIA	in-vitro
O=S(=O)(F)c1ccnc(C(F)(F)F)c1	723886393	VEGJKBHMHKMYPP-UHFFFAOYSA-N	229.154	1.759	70	50	BDIA	
Cc1ccc(CCNC(=O)[C@@H]2CC[C@H](N)C2)o1	216984393	RFAYGZPZWQUNCN-MNOVXSKESA-N	236.315	1.374	70	50	BDIA	
O=[N+]([O-])c1ccc(CS(=O)(=O)F)cc1	146287041	VKSZNRBZGINFCE-UHFFFAOYSA-N	219.193	1.394	70	50	BDIA	
CC1(C)CCN(S(=O)(=O)Cl)CC1	100293209	BZBQADRBYSOTOA-UHFFFAOYSA-N	211.714	1.592	70	50	BDIA	in-vitro
COc1cc(C(C)=O)ccc1OS(=O)(=O)F	1875375426	CPJYLPNNVUXYHM-UHFFFAOYSA-N	248.231	1.491	70	50	BDIA	
O=C(O)c1ccc(S(=O)(=O)F)cc1	43328023	DJUJJHDCOUPERR-UHFFFAOYSA-N	204.178	1.043	70	50	BDIA	in-vitro
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)F	675065179	CAGHWVQOVXXLHK-UHFFFAOYSA-N	233.220	1.815	70	50	BDIA	
C[C@H](c1ccon1)N(C)C(=O)c1cccc(N)n1	217123133	LZZTZNYINVPKID-MRVPVSSYSA-N	246.270	1.485	70	50	BDIA	
Cc1[nH]c2ccccc2c(=O)c1CCC(N)=O	217433017	GLTIUGLWBQCASE-UHFFFAOYSA-N	230.267	1.254	70	50	BDIA	
CN(Cc1ccccc1)S(=O)(=O)F	253388051	AVBMEXKUUORNHA-UHFFFAOYSA-N	203.238	1.333	70	50	BDIA	
CO[C@@H](Cc1ccccc1)CS(=O)(=O)Cl	259458070	QQNSHDVLPJGPLL-JTQLQIEISA-N	248.731	1.813	70	50	BDIA	
O=S(=O)(F)CCOc1ccccc1	675063619	YKXVMKPZLNUGBL-UHFFFAOYSA-N	204.222	1.365	70	50	BDIA	
O=S(=O)(F)CC1(C2CCOCC2)CC1	950757570	WHKDFLKGINHEJI-UHFFFAOYSA-N	222.281	1.493	70	50	BDIA	
CCc1cc(OS(=O)(=O)F)ccc1N	1875390084	UXOKWKSVSJPSRC-UHFFFAOYSA-N	219.237	1.424	70	50	BDIA	
Cc1nn(C(F)F)cc1S(=O)(=O)Cl	100264850	KJILWYBETJFERM-UHFFFAOYSA-N	230.623	1.514	70	50	BDIA	
CC(=O)Nc1cccc(S(=O)(=O)Cl)c1	98050646	BSNCGXHXSOEIEZ-UHFFFAOYSA-N	233.676	1.573	70	50	BDIA	
COC(=O)[C@@H]1CCCN1C[B-](F)(F)F	170174960	HCLDCAOUMILZGR-LURJTMIESA-N	209.984	1.010	70	50	BDIA	
C[C@H](C(N)=O)N1CCC[C@@H](C(F)(F)F)C1	217851697	CXDKRRJBNWRLPC-RNFRBKRXSA-N	224.226	1.135	70	50	BDIA	
CC(=O)Nc1ccc(OS(=O)(=O)F)cc1	1875375899	UAVCWFZLILMEQB-UHFFFAOYSA-N	233.220	1.238	70	50	BDIA	
CCn1cc(S(=O)(=O)Cl)nc1C	88230932	WNURJTMTIFTQOB-UHFFFAOYSA-N	208.670	1.139	70	50	BDIA	in-vitro
C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)F)cc21	675063553	HYEZMHWISCJEFT-YFKPBYRVSA-N	229.232	1.400	70	50	BDIA	
COC(=O)c1ccc(S(=O)(=O)F)cc1F	238854119	MVZNEFRVGUWAFO-UHFFFAOYSA-N	236.195	1.271	70	50	BDIA	
O=C(O)c1ccc(S(=O)(=O)Cl)s1	100652140	FWVXNSQOBHTXGV-UHFFFAOYSA-N	226.662	1.374	70	50	BDIA	in-vitro
CCc1ccc(C(=O)NCc2c(C)n[nH]c2C)[nH]1	218641974	LNSICBVXTVYUSD-UHFFFAOYSA-N	246.314	1.847	70	50	BDIA	
Cn1cc2c(S(=O)(=O)Cl)cccc2n1	103541019	BMJXULOIFQMBII-UHFFFAOYSA-N	230.676	1.501	70	50	BDIA	
COc1ccc(S(=O)(=O)Cl)cc1OC	95713684	RSJSYCZYQNJQPY-UHFFFAOYSA-N	236.676	1.631	70	50	BDIA	
CCNC(=O)c1cccc([B-](F)(F)F)c1	170017287	WYBYCMVQFVRBLZ-UHFFFAOYSA-N	215.991	1.491	70	50	BDIA	
CO[C@H](CS(=O)(=O)Cl)C1CCCC1	258214641	LETYQAUUWZFWAL-MRVPVSSYSA-N	226.725	1.760	70	50	BDIA	
COC(=O)c1cc([N+](=O)[O-])cc([B-](F)(F)F)c1	169746033	DZALCEDUANSROP-UHFFFAOYSA-N	247.945	1.436	70	50	BDIA	in-vitro
O=S(=O)(Cl)C[C@@H]1CC[C@@H](F)C1	257830393	HGDBCNWSUOTLFY-PHDIDXHHSA-N	200.662	1.693	70	50	BDIA	
O=S(=O)(Cl)CCOc1ccc(F)cc1	100153310	VGZMGRHCUYOATF-UHFFFAOYSA-N	238.667	1.773	70	50	BDIA	in-vitro
O=S(=O)(F)[C@H]1CCc2ccccc21	716769043	YPAFXXDOKYLQOE-VIFPVBQESA-N	200.234	1.973	70	50	BDIA	
O=S(=O)(OC(F)(F)F)C(F)(F)F	100541723	GVZFDPPAJXHNGL-UHFFFAOYSA-N	218.074	1.372	70	50	BDIA	
O=C1CCc2cc(S(=O)(=O)F)c(F)cc2N1	675063257	PJEQTDNSUWTBIK-UHFFFAOYSA-N	247.222	1.369	70	50	BDIA	
CC(=O)c1ccc2c(c1)CN(S(=O)(=O)F)C2	1875373799	OXCVQSRTPVQPDU-UHFFFAOYSA-N	243.259	1.419	70	50	BDIA	
COc1ccccc1CS(=O)(=O)F	258184834	VKDLIAYZYMQNKG-UHFFFAOYSA-N	204.222	1.495	70	50	BDIA	
CC(=O)c1cc(OS(=O)(=O)F)ccc1F	1875375732	NOPZADSFXUFVIC-UHFFFAOYSA-N	236.195	1.621	70	50	BDIA	
Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)N)CCO1	160840620	VCFGDRIRKUPMJN-YPMHNXCESA-N	248.326	1.242	70	50	BDIA	
COC(=O)c1cc(S(=O)(=O)F)ccc1F	675063435	UHYJKPVMFLTVEF-UHFFFAOYSA-N	236.195	1.271	70	50	BDIA	
C[SiH](C)O[Si](C)(C)O[SiH](C)C	169743184	HZBDPZBVINJJET-UHFFFAOYSA-N	208.482	1.688	70	50	BDIA	in-vitro
O=S(=O)(Cl)Cc1noc(C2CC2)n1	157448611	GHHCOELCLGQPSC-UHFFFAOYSA-N	222.653	1.016	70	50	BDIA	
COC(=O)c1cc(C(=O)CCl)c[nH]1	149823903	VSWJZCSXCVANFD-UHFFFAOYSA-N	201.609	1.223	70	50	BDIA	
O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Cl	95698091	BHSUAEKACYUVJP-UHFFFAOYSA-N	239.611	1.661	70	50	BDIA	
C[SiH](C)c1ccc([SiH](C)C)s1	170160751	RSLQPGRJMFPVHF-UHFFFAOYSA-N	200.455	1.136	70	50	BDIA	
C[SiH](C)[Si](C)([SiH](C)C)[SiH](C)C	169817751	RXUVTQUYUYZESC-UHFFFAOYSA-N	220.613	1.760	70	50	BDIA	
O=S(=O)(F)c1ccc(C(F)(F)F)nc1	675065551	KEOOZJNEJMVYDQ-UHFFFAOYSA-N	229.154	1.759	70	50	BDIA	
Cc1cnc(Cl)c(S(=O)(=O)F)c1	675065838	RHCRITRKDLJJIJ-UHFFFAOYSA-N	209.629	1.702	70	50	BDIA	
CCOC(=O)c1ccc(CS(=O)(=O)F)cc1	675063625	YZPSUQFUESTNFS-UHFFFAOYSA-N	246.259	1.663	70	50	BDIA	
N#Cc1ccc(S(=O)(=O)F)cc1Cl	238852845	HINMYZHDGNYENP-UHFFFAOYSA-N	219.624	1.870	70	50	BDIA	
CCOC(=O)c1ccc(S(=O)(=O)F)cc1	216515624	PXMUDZVWIFCDHQ-UHFFFAOYSA-N	232.232	1.522	70	50	BDIA	
CC/C=C(\C)C(=O)NCC1CCNCC1	217468034	GLOIXTODOGQHQE-ONNFQVAWSA-N	210.321	1.459	70	50	BDIA	
O=C(O)c1cc(S(=O)(=O)F)ccc1F	238855254	QZUODPSUJVCAQE-UHFFFAOYSA-N	222.168	1.182	70	50	BDIA	
O=c1ccc2cc([B-](F)(F)F)ccc2o1	306342034	YRSXHTARBKHDFE-UHFFFAOYSA-N	212.943	1.847	70	50	BDIA	
CCOC(=O)CN1CCO[C@@H]2CCCC[C@H]21	217346947	NQVQHHVKTOGCGT-GHMZBOCLSA-N	227.304	1.193	70	50	BDIA	
COc1cccc(S(=O)(=O)Cl)c1	59681307	JHJKSEKUZNJKGO-UHFFFAOYSA-N	206.650	1.623	70	50	BDIA	in-vitro
O=S(=O)(Cl)c1cccc(-c2nnco2)c1	59222021	NMXJSHDIHZHVCD-UHFFFAOYSA-N	244.659	1.664	70	50	BDIA	
Cn1c(=O)oc2ccc(S(=O)(=O)Cl)cc21	100153763	VOVZUAYMQLWUCT-UHFFFAOYSA-N	247.659	1.059	70	50	BDIA	
O=S(=O)(F)c1ccn(-c2ccccc2)n1	675067019	VRMHVOYJXJFQJU-UHFFFAOYSA-N	226.232	1.531	70	50	BDIA	
O=S(=O)(F)c1ccc(F)c(F)c1F	215883569	QSTVOESYDQCSJJ-UHFFFAOYSA-N	214.139	1.762	70	50	BDIA	
O=S(=O)(Oc1cccnc1)C(F)(F)F	72400368	ZRNDSLLIAOLRJS-UHFFFAOYSA-N	227.163	1.310	70	50	BDIA	in-vitro
Cn1c(S(=O)(=O)F)nc2ccccc21	1857787100	FONYAXKUPYPLKC-UHFFFAOYSA-N	214.221	1.232	70	50	BDIA	
O=S(=O)(Cl)c1cnn(C(F)F)c1	59681513	NAGBFMWJADECPN-UHFFFAOYSA-N	216.596	1.206	70	50	BDIA	
O=S(=O)(F)Cc1cc(F)ccc1F	675064747	RYMNLVNHEJPUAM-UHFFFAOYSA-N	210.176	1.764	70	50	BDIA	
N#Cc1ccc(OS(=O)(=O)F)c(Cl)c1	1875389867	AYRLWLCKFORSOB-UHFFFAOYSA-N	235.623	1.805	70	50	BDIA	
CCCn1nccc1S(=O)(=O)Cl	100294776	WNFNBNMOQMUQGU-UHFFFAOYSA-N	208.670	1.221	70	50	BDIA	in-vitro
Cc1oc(-c2ccn[nH]2)cc1S(=O)(=O)Cl	100293983	SDSPBBUGAGVSFK-UHFFFAOYSA-N	246.675	1.906	70	50	BDIA	
N[C@@H]1C[C@]2(CCOC2)Oc2ccccc21	160713265	GBVOHSGFNADLGO-PWSUYJOCSA-N	205.257	1.628	70	50	BDIA	
Cc1ccccc1[C@@H]1CN(C(=O)[C@H](C)N)CCO1	160839995	VCFGDRIRKUPMJN-AAEUAGOBSA-N	248.326	1.242	70	50	BDIA	
CCn1cc(S(=O)(=O)F)c(C(F)(F)F)n1	675064661	PQAOSXFESDRNAA-UHFFFAOYSA-N	246.185	1.580	70	50	BDIA	
COC(=O)c1ccc(S(=O)(=O)F)cc1OC	238856142	UZGSJVUKQKHXSW-UHFFFAOYSA-N	248.231	1.140	70	50	BDIA	
COCCOc1ccc(S(=O)(=O)F)cc1C	238856638	WRTLHWVVWRCSFX-UHFFFAOYSA-N	248.275	1.678	70	50	BDIA	
COC(=O)c1cc(S(=O)(=O)F)cs1	253388117	YVRNJRURGNQJTE-UHFFFAOYSA-N	224.234	1.193	70	50	BDIA	
Cc1ccc2c(c1)O[C@H](C)CN2C(=O)[C@H](C)N	160773585	IYDIBBDZPYHOBP-ZJUUUORDSA-N	234.299	1.456	70	50	BDIA	
O=S(=O)(F)Oc1ccc2c(c1)CCCO2	1875390083	UVXPYXUFBKAXPA-UHFFFAOYSA-N	232.232	1.605	70	50	BDIA	
CCOC(=O)c1ccc([B-](F)(F)F)cc1	169746059	ZRZCMYPMBRCPOX-UHFFFAOYSA-N	216.975	1.918	70	50	BDIA	in-vitro
COc1ccc(S(=O)(=O)F)cc1O	238392579	AYGWWBAYYCGNID-UHFFFAOYSA-N	206.194	1.059	70	50	BDIA	
Cn1c(S(=O)(=O)F)cc2ccccc21	306311054	RFDLWOGUNMOJHX-UHFFFAOYSA-N	213.233	1.837	70	50	BDIA	
CS(=O)(=O)Nc1cccc([B-](F)(F)F)c1	169746133	ABFUVNGAOBSDBY-UHFFFAOYSA-N	238.019	1.113	70	50	BDIA	in-vitro
O=c1ccc2cc(S(=O)(=O)F)ccc2[nH]1	675066938	RITWPKGYNQHMOH-UHFFFAOYSA-N	227.216	1.186	70	50	BDIA	
O=S(=O)(Cl)c1cnn(-c2ccccc2)c1	59095530	PCXMOXHSEXNGMP-UHFFFAOYSA-N	242.687	1.800	70	50	BDIA	
O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cc(Cl)c[nH]1	218349503	JLWLYWOAXBRZQP-WEDXCCLWSA-N	240.690	1.575	70	50	BDIA	
COC(=O)c1ccc(F)cc1S(=O)(=O)F	238833272	ALKCUSSQUXEVOS-UHFFFAOYSA-N	236.195	1.271	70	50	BDIA	
O=C(NCCCNc1cccnc1)[C@H]1CCCO1	218208381	FMNHZAGDQZOEFG-GFCCVEGCSA-N	249.314	1.179	70	50	BDIA	
COc1ccc(S(=O)(=O)F)cc1[N+](=O)[O-]	675064131	WDCGAFZYZDKXPH-UHFFFAOYSA-N	235.192	1.262	70	50	BDIA	
C[C@@H](OS(=O)(=O)C(F)(F)F)C(F)(F)F	100446175	CCCKOEYCRHBDDH-UWTATZPHSA-N	246.128	1.803	70	50	BDIA	
N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1	160196922	FVFSLHJEMSTULN-JHJVBQTASA-N	236.359	1.762	70	50	BDIA	
COc1ncc(C)cc1S(=O)(=O)F	1772718229	ZWSSIVVUNANCRA-UHFFFAOYSA-N	205.210	1.057	70	50	BDIA	
O=S(=O)(Cl)c1ccc(F)s1	100804471	CSUVXKJWOIMNOT-UHFFFAOYSA-N	200.643	1.815	70	50	BDIA	
CC(=O)Nc1cccc([B-](F)(F)F)c1	169995679	ZKIAUZXVVWJNCF-UHFFFAOYSA-N	201.964	1.699	70	50	BDIA	in-vitro
C[C@H](O)C(C)(C)Nc1nc(C2CC2)ns1	161426842	VJJGBIDBSQNMJT-LURJTMIESA-N	227.333	1.987	70	50	BDIA	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl	59796644	WPGVQDHXOUAJBW-UHFFFAOYSA-N	235.648	1.831	70	50	BDIA	in-vitro
Cc1cc(CN(C)C(=O)c2cncc(F)c2)on1	218559888	JXQHXAKELRZVFW-UHFFFAOYSA-N	249.245	1.789	70	50	BDIA	
Cc1cc(S(=O)(=O)F)cnc1Cl	253388086	BDOWLAWBKAZDGN-UHFFFAOYSA-N	209.629	1.702	70	50	BDIA	
O=S(=O)(F)c1cc(C(F)F)ccn1	725243765	HBZDMSCUCASRSC-UHFFFAOYSA-N	211.164	1.677	70	50	BDIA	
O=S(=O)(F)c1cc(F)c(F)cc1F	238853376	JNDCJRYYIUUKKY-UHFFFAOYSA-N	214.139	1.762	70	50	BDIA	
N#Cc1cccc(CS(=O)(=O)Cl)c1	100011626	YNWYDZBBHOWDAE-UHFFFAOYSA-N	215.661	1.627	70	50	BDIA	in-vitro
COC(=O)c1cccc(F)c1S(=O)(=O)F	1776004616	MXTVITPTUGRGMP-UHFFFAOYSA-N	236.195	1.271	70	50	BDIA	
CCCN(CC1CC1)S(=O)(=O)Cl	100502777	VNMZLVZGYUDHPJ-UHFFFAOYSA-N	211.714	1.592	70	50	BDIA	in-vitro
CN(Cc1ccc(Cl)nc1)S(=O)(=O)F	1875365408	LXTFQCXIANBWPX-UHFFFAOYSA-N	238.671	1.381	70	50	BDIA	
O=C(O)c1cc([N+](=O)[O-])cc([B-](F)(F)F)c1	169746032	JQLMEMXTDCXTPW-UHFFFAOYSA-N	233.918	1.347	70	50	BDIA	in-vitro
COc1cccc2c1CN(S(=O)(=O)F)C2	1875373433	APXHFZFHLUWAGH-UHFFFAOYSA-N	231.248	1.225	70	50	BDIA	
CCOC(=O)c1ccncc1S(=O)(=O)Cl	95707900	USJWOJZNWZSBGK-UHFFFAOYSA-N	249.675	1.186	70	50	BDIA	
O=S(=O)(F)N1CCC[C@@H]2CCCC[C@@H]21	1772717674	WFANIWUXNZZIIT-IUCAKERBSA-N	221.297	1.855	70	50	BDIA	
Cc1cc(C)c(CNC(=O)[C@]2(C)CCCO2)cn1	218420297	RVKDKMULIXVELK-AWEZNQCLSA-N	248.326	1.884	70	50	BDIA	
O=S(=O)(F)c1nc(-c2ccccc2)ns1	584880200	GWOHRNQUKHXKMZ-UHFFFAOYSA-N	244.272	1.863	70	50	BDIA	
O=S(=O)(Cl)C[C@@H]1CC1(Cl)Cl	100579394	RIXYDQHHAVBYAC-VKHMYHEASA-N	223.508	1.749	70	50	BDIA	in-vitro
CCC[C@@H](C(=O)OCC)S(=O)(=O)Cl	166213020	UULXWMAWSZFCGF-LURJTMIESA-N	228.697	1.287	70	50	BDIA	in-vitro
O=S(=O)(F)c1ccc2cnccc2c1	306414696	OPTGZNFRKOIQSE-UHFFFAOYSA-N	211.217	1.893	70	50	BDIA	
CC[C@@]1(C)CC[C@H](CS(=O)(=O)F)O1	1772718068	REWNBKOKARIJNF-SFYZADRCSA-N	210.270	1.633	70	50	BDIA	
CCc1ccc(S(=O)(=O)F)cc1N	221504081	ZCAYAXYCYDTBRR-UHFFFAOYSA-N	203.238	1.489	70	50	BDIA	
CCC(=O)Nc1cc([B-](F)(F)F)ccn1	203620444	JCGCIAKOBDQBIA-UHFFFAOYSA-N	216.979	1.485	70	50	BDIA	
O=S(=O)(F)Oc1ccc2c(c1)COCC2	1875374425	PJKITQMXCHDABF-UHFFFAOYSA-N	232.232	1.352	70	50	BDIA	
C[C@@H](C(N)=O)N1CCC[C@@H](C(F)(F)F)C1	217851596	CXDKRRJBNWRLPC-NKWVEPMBSA-N	224.226	1.135	70	50	BDIA	
O=S(=O)(F)[C@H]1C[C@H]2CC[C@H]1C21CC1	1857781999	CVBOSEILPGAKOR-PRJMDXOYSA-N	204.266	1.864	70	50	BDIA	
Cc1ccc(C)n1CC(=O)NCCc1c[nH]cn1	218422555	PVKKBXSNMFGDER-UHFFFAOYSA-N	246.314	1.187	70	50	BDIA	
O=C(O)c1ccc(F)c(S(=O)(=O)F)c1	238855494	SCMAXQNZFMDLCZ-UHFFFAOYSA-N	222.168	1.182	70	50	BDIA	
CC[C@H](N)C(=O)N[C@H]1CCC[C@@H](SC)C1	161124483	KVNJSHCJVWKDGP-AEJSXWLSSA-N	230.377	1.514	70	50	BDIA	
CC(=O)Nc1ccc(S(=O)(=O)Cl)c(C)c1	95698399	CQMOYSYLLYARBD-UHFFFAOYSA-N	247.703	1.881	70	50	BDIA	
Cn1cc(S(=O)(=O)Cl)c(C(F)(F)F)n1	95749472	HJFWSNIHZZKYIK-UHFFFAOYSA-N	248.613	1.366	70	50	BDIA	
CCOCCOc1ccc(S(=O)(=O)F)cc1	675065008	WZHBCTFOZDOPPH-UHFFFAOYSA-N	248.275	1.760	70	50	BDIA	
CCCNC(=O)c1ccc([B-](F)(F)F)cc1	216632741	QGQRIVLXPRNBFH-UHFFFAOYSA-N	230.018	1.881	70	50	BDIA	
O=S(=O)(F)CCOc1ccc(F)cc1	675062961	DZSXWXZUCOECNR-UHFFFAOYSA-N	222.212	1.504	70	50	BDIA	
Cn1c(C(=O)N2C[C@H]3CC[C@H]2C3)cccc1=O	160723435	BIMRPMKJKDQAAA-UWVGGRQHSA-N	232.283	1.010	70	50	BDIA	
CN1CCc2cccc(OS(=O)(=O)F)c2C1	1875390041	NHTWWDQYQJEGII-UHFFFAOYSA-N	245.275	1.268	70	50	BDIA	
O=[N+]([O-])c1cc(Cl)cnc1S(=O)(=O)F	1775954979	CZJRHQKMWFYURV-UHFFFAOYSA-N	240.599	1.301	70	50	BDIA	
O=S(=O)(F)C[C@@H]1CC2(CCC2)CO1	675066500	PTTQMDVPSWXDNY-ZETCQYMHSA-N	208.254	1.245	70	50	BDIA	
Cc1cc(C)n(C[C@H](C)NC(=O)c2cnc[nH]2)n1	218597552	VGMZFYDSWADRGD-VIFPVBQESA-N	247.302	1.042	70	50	BDIA	
O=S(=O)(F)c1ccc2c(c1)OCCO2	105402689	CZDKQRQGVWYYKX-UHFFFAOYSA-N	218.205	1.116	70	50	BDIA	
O=C(O)c1cccc(S(=O)(=O)F)c1	43307927	VWYMBWGOJRULOV-UHFFFAOYSA-N	204.178	1.043	70	50	BDIA	in-vitro
CN(C)[C@@H]1CCN(C(=O)N2CCCCCC2)C1	160554648	YPXHRAVGGAWMFN-GFCCVEGCSA-N	239.363	1.618	70	50	BDIA	
COc1cnc(S(=O)(=O)Cl)c(F)c1	97973127	QUSOIDYSJOZKIT-UHFFFAOYSA-N	225.628	1.157	70	50	BDIA	
CC(C)(C)c1cnc(S(=O)(=O)F)cn1	2325903602	MQBJXCSKUXOEOQ-UHFFFAOYSA-N	218.253	1.432	70	50	BDIA	
O=S(=O)(F)c1ccc2c(c1)NCCC2	713030056	SUHOCGKKTPPPCD-UHFFFAOYSA-N	215.249	1.703	70	50	BDIA	
O=S(=O)(F)C[C@H]1CCC(F)(F)CO1	1776007042	KIVKPODNYOVXKI-RXMQYKEDSA-N	218.196	1.100	70	50	BDIA	
Cn1cc(S(=O)(=O)F)c(C2CCCC2)n1	1875369131	RXRBHXUYLTWAPZ-UHFFFAOYSA-N	232.280	1.736	70	50	BDIA	
Cc1ccnc(N[C@H]2CCN3CCCC[C@@H]23)n1	217411639	GMEVBTZDVBCRCS-RYUDHWBXSA-N	232.331	1.824	70	50	BDIA	
O=S(=O)(Cl)Cc1cccc(F)c1	95698081	QKGIPEQAFOXGSI-UHFFFAOYSA-N	208.641	1.894	70	50	BDIA	
O=S(=O)(F)[C@@H]1C[C@H]2CC[C@H]1C21CC1	1857781998	CVBOSEILPGAKOR-BWZBUEFSSA-N	204.266	1.864	70	50	BDIA	
COc1cccc(CCN2CCOCC2)c1	216919802	STVGAMITXUPOMZ-UHFFFAOYSA-N	221.300	1.570	70	50	BDIA	
CC(C)Cc1cc(CN2CCC[C@H]2CO)n[nH]1	218748599	PIBOVFKUMDVPLT-ZDUSSCGKSA-N	237.347	1.565	70	50	BDIA	
COC(=O)c1cccc([B-](F)(F)F)c1	198781674	KFDSPFFBFBJLDJ-UHFFFAOYSA-N	202.948	1.528	70	50	BDIA	
COc1nc(S(=O)(=O)Cl)ccc1F	100190696	VWGCDXJVNGSTJZ-UHFFFAOYSA-N	225.628	1.157	70	50	BDIA	
O=[N+]([O-])c1ccccc1CS(=O)(=O)Cl	100117726	FUEFNUGYRWQHTH-UHFFFAOYSA-N	235.648	1.663	70	50	BDIA	
Cc1n[nH]c(C)c1CCCN(C)c1ncncn1	218413256	MOVPFCYQTAIVJN-UHFFFAOYSA-N	246.318	1.281	70	50	BDIA	
CNC[C@H]1CCCN1C(=O)/C=C/c1ccccn1	161215781	GCVNLIKEUKRCOS-SBDDDAINSA-N	245.326	1.305	70	50	BDIA	
CC(C)Oc1ccc([B-](F)(F)F)cn1	217049027	LXGBUSVKLSGYJJ-UHFFFAOYSA-N	203.980	1.923	70	50	BDIA	
O=S(=O)(OCCC(F)(F)F)C(F)(F)F	100552021	CFROLHNCACAAOW-UHFFFAOYSA-N	246.128	1.805	70	50	BDIA	in-vitro
Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)[C@H](C)N	160773716	IYDIBBDZPYHOBP-UWVGGRQHSA-N	234.299	1.456	70	50	BDIA	
O=S(=O)(F)c1ccc2nc(O)oc2c1	675062890	CLQTXLVBRDDJIS-UHFFFAOYSA-N	217.177	1.192	70	50	BDIA	
CC(C)n1cnc(S(=O)(=O)Cl)c1	100492505	ANCMLGODQYIJMA-UHFFFAOYSA-N	208.670	1.392	70	50	BDIA	
O=S(=O)(Cl)N1CCC[C@H]1C(F)(F)F	100587105	VFJOXJIZMPYFSB-BYPYZUCNSA-N	237.630	1.497	70	50	BDIA	
C[C@H](NC(=O)c1ccc(O)cn1)c1cnn(C)c1	217207697	HBPQOZXTDCVZHT-QMMMGPOBSA-N	246.270	1.012	70	50	BDIA	
Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccccc1	218278026	BUYXNFCQSAZLGC-SNVBAGLBSA-N	245.282	1.019	70	50	BDIA	
O=S(=O)(F)[C@@H]1CCO[C@H](C(F)(F)F)C1	757178862	MSFDZHUXJFEYFF-UHNVWZDZSA-N	236.186	1.396	70	50	BDIA	
CCOC(=O)c1ccccc1[B-](F)(F)F	169746139	DZIOQSNYNBATRN-UHFFFAOYSA-N	216.975	1.918	70	50	BDIA	in-vitro
CO[C@@H](CS(=O)(=O)Cl)C1CCCC1	258214643	LETYQAUUWZFWAL-QMMMGPOBSA-N	226.725	1.760	70	50	BDIA	
CCc1cc(C(=O)N(C)Cc2ccon2)ccn1	218592413	DKXGGASJKFXHLS-UHFFFAOYSA-N	245.282	1.904	70	50	BDIA	
O=C(NCCc1cccc(O)c1)[C@@H]1CCOC1	160246307	KDBLYZAUMWRJFT-LLVKDONJSA-N	235.283	1.087	70	50	BDIA	
Cc1ccc(S(=O)(=O)Cl)cc1C(=O)O	100003871	FMWIOAWRARBKDQ-UHFFFAOYSA-N	234.660	1.621	70	50	BDIA	in-vitro
C[C@H]1C[C@H](C)CN(S(=O)(=O)Cl)C1	100095208	RPGSVLHMPDNRFE-BQBZGAKWSA-N	211.714	1.448	70	50	BDIA	in-vitro
O=S(=O)(Cl)CCOc1ccccc1F	100167067	ZJKNPRKHHAIOFG-UHFFFAOYSA-N	238.667	1.773	70	50	BDIA	
Cc1c[nH]c(CN(C)C(=O)c2nc(C)c[nH]2)n1	217498822	KUJOONIHKBDAJD-UHFFFAOYSA-N	233.275	1.022	70	50	BDIA	
Cc1cc(S(=O)(=O)F)ccc1[N+](=O)[O-]	238855019	QDVNHPLNLWLSAR-UHFFFAOYSA-N	219.193	1.561	70	50	BDIA	
CCC[C@H](C(=O)OCC)S(=O)(=O)Cl	166213147	UULXWMAWSZFCGF-ZCFIWIBFSA-N	228.697	1.287	70	50	BDIA	in-vitro
CCOC(CCCC[SiH3])(OCC)OCC	1857777622	SWWRWMCCKQKCSH-UHFFFAOYSA-N	234.412	1.704	70	50	BDIA	
O=S(=O)(F)C[C@@H]1CC[C@@H](C(F)(F)F)O1	1772717590	OBRGCMQWZSBYRK-WHFBIAKZSA-N	236.186	1.396	70	50	BDIA	
O=S(=O)(Cl)c1ccc2c(c1)COC2	100598735	YIQZXCNAVFOVGR-UHFFFAOYSA-N	218.661	1.644	70	50	BDIA	in-vitro
CCOC(=O)c1cccc(OS(=O)(=O)F)c1	1875375875	QYFGELRPOKESND-UHFFFAOYSA-N	248.231	1.456	70	50	BDIA	
C[C@@H](N)c1ccc(S(=O)(=O)F)cc1	114188858	NAQOYOYPJPLALY-ZCFIWIBFSA-N	203.238	1.365	70	50	BDIA	
COc1cc([B-](F)(F)F)ccc1OC(C)=O	216632806	DMHKCZVLXJWZJX-UHFFFAOYSA-N	232.974	1.675	70	50	BDIA	
Cc1ccc2c(c1)CN(S(=O)(=O)F)C2	1875373588	HAGQDKDOTOYSBY-UHFFFAOYSA-N	215.249	1.525	70	50	BDIA	
Cc1csc2c1C(=O)NB(c1ccccc1)N2	169872816	LGWFAJXOCNITKN-UHFFFAOYSA-N	242.112	1.607	70	50	BDIA	
Cc1nc2ccc(S(=O)(=O)F)cc2o1	675063640	ZLQALOOAGILHHU-UHFFFAOYSA-N	215.205	1.794	70	50	BDIA	
Clc1ccc([SiH2]c2ccccc2)cc1	169817597	LDVXVJDPDGIQRZ-UHFFFAOYSA-N	218.759	1.460	70	50	BDIA	
O=S(=O)(F)c1cnn(Cc2ccccc2)c1	675062846	BZYPJUVCCSREEA-UHFFFAOYSA-N	240.259	1.590	70	50	BDIA	
CP(C)(=O)c1cccc(S(=O)(=O)F)c1	1772717640	TZKDHTQAOLBKAZ-UHFFFAOYSA-N	236.204	1.593	70	50	BDIA	
O=S(=O)(Cl)c1c(F)cccc1F	59796723	QXWAUQMMMIMLTO-UHFFFAOYSA-N	212.604	1.892	70	50	BDIA	
COc1ccc(S(=O)(=O)F)c(C)c1F	675065759	OZVXVDIVRFPSOI-UHFFFAOYSA-N	222.212	1.801	70	50	BDIA	
O=S(=O)(F)Oc1ccc(N2CCCC2)cc1	1875374184	DRLRYHMPHQRGNG-UHFFFAOYSA-N	245.275	1.880	70	50	BDIA	
N[C@H]1C[C@]2(CCOC2)Oc2ccccc21	160713399	GBVOHSGFNADLGO-JQWIXIFHSA-N	205.257	1.628	70	50	BDIA	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)F)c1	168461601	TYNYYQQHOOZVCQ-UHFFFAOYSA-N	239.611	1.906	70	50	BDIA	
O=S(=O)(F)C[C@H]1CCCC2(CCC2)O1	1772717251	LPHKQZQFHFRYLV-MRVPVSSYSA-N	222.281	1.778	70	50	BDIA	
O=S(=O)(Cl)c1ccc(F)c(F)c1	95707757	FSGLUBQENACWCC-UHFFFAOYSA-N	212.604	1.892	70	50	BDIA	in-vitro
O=S(=O)(Cl)c1cc(F)cc(F)c1	59681328	IIQKIICAOXAXEJ-UHFFFAOYSA-N	212.604	1.892	70	50	BDIA	in-vitro
O=C1c2ccccc2C(=O)N1C[B-](F)(F)F	200981007	SQKXUSVATGLZBK-UHFFFAOYSA-N	227.958	1.669	70	50	BDIA	in-vitro
Cc1nc(C)c(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)o1	218594030	UUMPDDIWJDVJKJ-UTLUCORTSA-N	236.271	1.199	70	50	BDIA	
COCc1cc(OS(=O)(=O)F)ccc1N	1875390029	MFNKFHFLQFVBMA-UHFFFAOYSA-N	235.236	1.008	70	50	BDIA	
O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)F)C2	1875373838	QGBGQOWHMCQESN-UHFFFAOYSA-N	246.219	1.125	70	50	BDIA	
O=C1CCc2cc(S(=O)(=O)Cl)ccc2C1	958528821	PYWNHJKMGCZNFQ-UHFFFAOYSA-N	244.699	1.672	70	50	BDIA	
O=S(=O)(F)Oc1cccc(-c2nnco2)c1	1875375674	JFRRDLFICOKBTO-UHFFFAOYSA-N	244.203	1.330	70	50	BDIA	
O=S(=O)(F)c1cnc(-c2ccccc2)o1	1772770639	HSHVGHQFRCAEQI-UHFFFAOYSA-N	227.216	2.000	70	50	BDIA	
Cc1ccc(C(=O)NCCc2cn[nH]c2)c(O)c1	217359347	ZLYIURFEHOVLSG-UHFFFAOYSA-N	245.282	1.396	70	50	BDIA	
CC[C@@H](C)[C@H](N)C(=O)N(C)CCSC	159597197	OBSADOCXFLGHPT-BDAKNGLRSA-N	218.366	1.181	70	50	BDIA	
CNC(=O)c1cc(S(=O)(=O)Cl)cs1	100291363	IDELKMMSLSKSLV-UHFFFAOYSA-N	239.705	1.035	70	50	BDIA	in-vitro
C[C@H]1C(=O)Nc2ccc(S(=O)(=O)F)cc21	675063551	HYEZMHWISCJEFT-RXMQYKEDSA-N	229.232	1.400	70	50	BDIA	
O=S(=O)(Cl)c1ccc2c(c1)OCCO2	95681793	JWHSRWUHRLYAPM-UHFFFAOYSA-N	234.660	1.385	70	50	BDIA	in-vitro
O=S(=O)(Cl)c1ccccc1-c1nnco1	101454793	KWZFNTGIRGWLJG-UHFFFAOYSA-N	244.659	1.664	70	50	BDIA	
O=S(=O)(Cl)c1c(F)ccnc1Cl	216637811	UVHYZABLGKWKFR-UHFFFAOYSA-N	230.047	1.802	70	50	BDIA	in-vitro
O=S(=O)(Cl)c1ccc(-c2ccn[nH]2)o1	100104753	FCVPAGYFRDXMSS-UHFFFAOYSA-N	232.648	1.597	70	50	BDIA	
CN1CCn2nc([C@H](O)c3ccccc3)cc2C1	217002626	RQDGLNYZJNMCED-CQSZACIVSA-N	243.310	1.410	70	50	BDIA	
CC(=O)N1CC(Nc2ccc(O)cc2)=CC1=O	218531152	KDEPBPJBOLARCM-UHFFFAOYSA-N	232.239	1.077	70	50	BDIA	
O=S(=O)(F)N1CC[C@@H]2CCCC[C@H]2C1	1772717417	AVOXGONYDOMMAE-IUCAKERBSA-N	221.297	1.713	70	50	BDIA	
O=S(=O)(F)[C@H]1CCc2ccccc2C1	675067062	XRCSCFQNQLSUOV-JTQLQIEISA-N	214.261	1.843	70	50	BDIA	
O=S(=O)(Cl)c1ccc(-n2cccn2)cc1	95681624	AHXRGFFTKHQGOE-UHFFFAOYSA-N	242.687	1.800	70	50	BDIA	in-vitro
CCOC(=O)c1cccc([B-](F)(F)F)c1	206082034	RSDKCFLVEHZGLG-UHFFFAOYSA-N	216.975	1.918	70	50	BDIA	in-vitro
COc1cc(F)c(S(=O)(=O)F)cc1OC	253388060	AZIJUADAMOXRDU-UHFFFAOYSA-N	238.211	1.501	70	50	BDIA	
O=S(=O)(F)Cc1cc(F)cc(F)c1	675064605	MULRWGZSUAYWDO-UHFFFAOYSA-N	210.176	1.764	70	50	BDIA	
CC[C@H](C)[C@@H](N)C(=O)N(C)CCSC	159597602	OBSADOCXFLGHPT-DTWKUNHWSA-N	218.366	1.181	70	50	BDIA	
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Cl	95671125	QTNQIGYAUISKNU-UHFFFAOYSA-N	239.611	1.661	70	50	BDIA	
O=S(=O)(Cl)c1cnc2n1CCCCC2	100032006	KYMGLAHHJPRFFV-UHFFFAOYSA-N	234.708	1.537	70	50	BDIA	
C=C(CN1CCSCC1)[B-](F)(F)F	199632845	GEZUKWMSMAOJGW-UHFFFAOYSA-N	210.053	1.978	70	50	BDIA	in-vitro
O=C(O)c1ccc(S(=O)(=O)F)c(F)c1	238854940	PSZRVDQRZALPHS-UHFFFAOYSA-N	222.168	1.182	70	50	BDIA	
O=[N+]([O-])c1ccccc1S(=O)(=O)F	85563302	HSQIQAVSSNKMBM-UHFFFAOYSA-N	205.166	1.253	70	50	BDIA	in-vitro
O=S(=O)(F)c1ccc2c(c1)COC2	675063316	QGJPXVBNIAZIHV-UHFFFAOYSA-N	202.206	1.375	70	50	BDIA	
O=S(=O)(F)C[C@@H]1CC[C@H](C(F)(F)F)O1	1772717587	OBRGCMQWZSBYRK-CRCLSJGQSA-N	236.186	1.396	70	50	BDIA	
CC(=O)c1cccc(C(=O)NC[C@H]2CCOC2)c1	218068941	KSJJJYRASOPRTQ-LLVKDONJSA-N	247.294	1.656	70	50	BDIA	
COc1ccc(C(=O)NCC2(C)COC2)c(C)c1	216973420	NIQRGBQENPMPOX-UHFFFAOYSA-N	249.310	1.770	70	50	BDIA	
CCc1ccc(C(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)[nH]1	216947761	KKJOOIUGDDESRE-JLLWLGSASA-N	234.299	1.484	70	50	BDIA	
CNc1nnc(Cn2cnc3ccccc32)s1	159489300	UVSCPTHWHDNIQM-UHFFFAOYSA-N	245.311	1.978	70	50	BDIA	
COC(=O)c1ccc(S(=O)(=O)Cl)s1	100274940	ZYROAJKOQOLJBE-UHFFFAOYSA-N	240.689	1.462	70	50	BDIA	
CO[C@@H](CC(C)C)CS(=O)(=O)Cl	259074666	CWGGDLNLQMFCSG-ZETCQYMHSA-N	214.714	1.616	70	50	BDIA	
CCNC(=O)c1cccc(OS(=O)(=O)F)c1	1875374494	SYSIZISXTWDCBJ-UHFFFAOYSA-N	247.247	1.029	70	50	BDIA	
CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1C	100062359	PTQIUVQLPQCNMB-UHFFFAOYSA-N	247.703	1.881	70	50	BDIA	in-vitro
Cc1ccccc1[C@H]1CN(C(=O)[C@@H](C)N)CCO1	160840760	VCFGDRIRKUPMJN-DGCLKSJQSA-N	248.326	1.242	70	50	BDIA	
COc1ccc(S(=O)(=O)Cl)cc1	95736270	DTJVECUKADWGMO-UHFFFAOYSA-N	206.650	1.623	70	50	BDIA	in-vitro
O=S(=O)(Oc1ccccn1)C(F)(F)F	100021753	COLRMVLTWJTLFJ-UHFFFAOYSA-N	227.163	1.310	70	50	BDIA	in-vitro
C=COCCOCCOC[B-](F)(F)F	228897936	LTQAPJQGEWHKQF-UHFFFAOYSA-N	212.984	1.566	70	50	BDIA	
COc1ccc(S(=O)(=O)Cl)c(F)c1	59108114	PFWTYPSGDVPOPQ-UHFFFAOYSA-N	224.640	1.762	70	50	BDIA	in-vitro
COc1ccc(S(=O)(=O)Cl)c(OC)c1	95713486	AYGZKRRIULCJKC-UHFFFAOYSA-N	236.676	1.631	70	50	BDIA	
CC(C)(C)Oc1ccc(S(=O)(=O)F)cn1	675067100	YQLZJKSARDUJJL-UHFFFAOYSA-N	233.264	1.917	70	50	BDIA	
O=S(=O)(F)[C@@H]1CCc2ccccc21	716769042	YPAFXXDOKYLQOE-SECBINFHSA-N	200.234	1.973	70	50	BDIA	
CC(C)n1nccc1S(=O)(=O)Cl	100294680	APESRGNGHCTUQZ-UHFFFAOYSA-N	208.670	1.392	70	50	BDIA	in-vitro
Cc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1C	100057716	QQSJQUSYMFGYHR-UHFFFAOYSA-N	248.687	1.929	70	50	BDIA	
O=S(=O)(F)c1cccc(-c2ccno2)c1	675065475	HTIBITHTMQKJAX-UHFFFAOYSA-N	227.216	2.000	70	50	BDIA	
Cc1nn(C)c(Cl)c1S(=O)(=O)F	166625282	CRUDWYIDTFFJLX-UHFFFAOYSA-N	212.633	1.040	70	50	BDIA	
O=S(=O)(Br)C(F)(F)F	115012016	IMNIECVIVJOTBH-UHFFFAOYSA-N	212.974	1.231	70	50	BDIA	
CO[C@H](CS(=O)(=O)Cl)C(C)C	257891914	ULFIPEGMJVMGLG-ZCFIWIBFSA-N	200.687	1.226	70	50	BDIA	
CCC[C@@H](C(=O)Nc1cn[nH]c1)N(C)C	159830449	ACKMNVIQVJDMHI-VIFPVBQESA-N	210.281	1.079	70	50	BDIA	
O=Cc1cc(S(=O)(=O)Cl)cs1	675051241	GAYQJNBOKKXKQE-UHFFFAOYSA-N	210.663	1.488	70	50	BDIA	
COc1ccc([B-](F)(F)F)c(OC)n1	170165482	WTGRDXUGRQTHMH-UHFFFAOYSA-N	205.952	1.153	70	50	BDIA	
N#Cc1cccc(S(=O)(=O)Cl)c1	59796645	BHNRGBRMCNHNQD-UHFFFAOYSA-N	201.634	1.486	70	50	BDIA	in-vitro
CS(=O)(=O)c1ccc([B-](F)(F)F)cc1	169746112	DOJXOULKISPLCR-UHFFFAOYSA-N	223.004	1.145	70	50	BDIA	in-vitro
COc1ccc(C)cc1CN(C)S(=O)(=O)F	1875373724	MLRXWYZUJBFUKX-UHFFFAOYSA-N	247.291	1.650	70	50	BDIA	
O=S(=O)(Cl)c1cnn(CC(F)(F)F)c1	100501090	APYOSJHRHDKPEH-UHFFFAOYSA-N	248.613	1.373	70	50	BDIA	in-vitro
CCCn1cc(S(=O)(=O)Cl)cn1	100294287	JHAMFGLLNGMTHE-UHFFFAOYSA-N	208.670	1.221	70	50	BDIA	in-vitro
C=C(CN1CCN(C)CC1)[B-](F)(F)F	199631453	IINNAZHYIKXDPD-UHFFFAOYSA-N	207.028	1.177	70	50	BDIA	in-vitro
O=S(=O)(Cl)C[C@@H]1CC[C@H](F)C1	257830394	HGDBCNWSUOTLFY-RITPCOANSA-N	200.662	1.693	70	50	BDIA	
C[C@H](NS(=O)(=O)Cl)c1ccccc1	59130676	QOPLNBUUOURXFZ-ZETCQYMHSA-N	219.693	1.821	70	50	BDIA	
O=S(=O)(F)Cc1noc2ccccc12	675065377	FXKSJRLWDDJUOC-UHFFFAOYSA-N	215.205	1.627	70	50	BDIA	
O=S(=O)(F)C[C@H]1CC[C@H](C(F)(F)F)O1	1772717588	OBRGCMQWZSBYRK-RFZPGFLSSA-N	236.186	1.396	70	50	BDIA	
O=C(Cl)c1cccc(S(=O)(=O)Cl)c1	95713226	XWEBTVZIZWEJOO-UHFFFAOYSA-N	239.079	1.993	70	50	BDIA	
CC(C)c1cc(CN(C)c2ncncn2)on1	218534296	WCSCMEBLOKSETP-UHFFFAOYSA-N	233.275	1.619	70	50	BDIA	
CCC[C@H](C(=O)Nc1cn[nH]c1)N(C)C	159830582	ACKMNVIQVJDMHI-SECBINFHSA-N	210.281	1.079	70	50	BDIA	
O=S(=O)(Cl)c1cccc2nsnc12	59681294	CXAICGCTHOWKPP-UHFFFAOYSA-N	234.689	1.619	70	50	BDIA	
O=S(=O)(Cl)C[C@H]1CC[C@H](F)C1	257830395	HGDBCNWSUOTLFY-WDSKDSINSA-N	200.662	1.693	70	50	BDIA	
ClC[SiH](c1ccccc1)c1ccccc1	205269502	FEHFUPASEBBYRC-UHFFFAOYSA-N	232.786	1.806	70	50	BDIA	
O=S(=O)(F)OC(F)(F)C(F)=C(F)F	95681895	LIZZWVXXYAALGG-UHFFFAOYSA-N	230.085	1.888	70	50	BDIA	in-vitro
CC(=O)O[SiH](c1ccccc1)c1ccccc1	169818934	GFUZELMZOXTDGN-UHFFFAOYSA-N	242.350	1.088	70	50	BDIA	
COc1cccc(OC)c1[B-](F)(F)F	170162606	TVBMBMFBHBDXBX-UHFFFAOYSA-N	204.964	1.758	70	50	BDIA	
O=S(=O)(Cl)c1ccc2c(c1)OCCCO2	60003353	ADAGPISZFDLGCR-UHFFFAOYSA-N	248.687	1.775	70	50	BDIA	in-vitro
Cc1ccc2c(c1)B(O)OC21CCCC1	220056906	MMTAZHNMTZHOSA-UHFFFAOYSA-N	202.062	1.482	70	50	BDIA	in-vitro
O=S(=O)(F)CCOCC1CCCC1	675066260	FZYMSLNYLJGEPD-UHFFFAOYSA-N	210.270	1.493	70	50	BDIA	
O=C(O)Cc1ccc(S(=O)(=O)F)s1	238854014	MBVGDDLCYGWVJO-UHFFFAOYSA-N	224.234	1.033	70	50	BDIA	
O=S(=O)(F)N1CCN(c2ccccc2)CC1	1776004915	RJADPTMWQJOFGX-UHFFFAOYSA-N	244.291	1.023	70	50	BDIA	
NC[C@H]1CCCN1C(=O)/C=C/c1ccccc1F	160125686	HGOAICLRUYUWHT-ABZNLYFFSA-N	248.301	1.789	70	50	BDIA	
C=C(Br)CS(=O)(=O)Cl	157454449	LSIJHWYFTOZAJD-UHFFFAOYSA-N	219.487	1.464	70	50	BDIA	
COCCOc1ccc([B-](F)(F)F)cc1	169807973	TUGODGSYEKMUCK-UHFFFAOYSA-N	218.991	1.766	70	50	BDIA	
CCSC[C@@H](C)N1CCCNCC1	159495620	YELSOHRDLDBEHU-SNVBAGLBSA-N	202.367	1.423	70	50	BDIA	
O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1	95713098	JXRGUPLJCCDGKG-UHFFFAOYSA-N	221.621	1.522	70	50	BDIA	in-vitro
O=c1ccc2cc(S(=O)(=O)Cl)ccc2o1	59681499	HQIPMBGUDSOVEA-UHFFFAOYSA-N	244.655	1.721	70	50	BDIA	
CNc1cc(OS(=O)(=O)F)ccc1F	1875390070	RENZMAOOABAGKB-UHFFFAOYSA-N	223.200	1.461	70	50	BDIA	
C[C@H](OS(=O)(=O)C(F)(F)F)C(F)(F)F	100446171	CCCKOEYCRHBDDH-REOHCLBHSA-N	246.128	1.803	70	50	BDIA	
Cc1nc(S(=O)(=O)F)nn1-c1ccccc1	1857785234	YOSPECNEDPCLQQ-UHFFFAOYSA-N	241.247	1.234	70	50	BDIA	
NNC(=S)c1cccc2ccccc12	217633418	XEZACBMOIYVLNO-UHFFFAOYSA-N	202.282	1.979	70	50	BDIA	
CCn1nc(C)c(CN(C)C(=O)CCl)c1C	150261131	CSYXSQIQJFDPLL-UHFFFAOYSA-N	243.738	1.717	70	50	BDIA	
COCCOCCOC[B-](F)(F)F	228312264	MRSGNIOWSUDGME-UHFFFAOYSA-N	200.973	1.053	70	50	BDIA	
N#Cc1ccc(F)c(S(=O)(=O)Cl)c1	100014598	XLPGJVFDGAPUIH-UHFFFAOYSA-N	219.624	1.625	70	50	BDIA	in-vitro
O=C1OCc2ccc(S(=O)(=O)Cl)cc21	100576100	VZXTZCJLOJMGIU-UHFFFAOYSA-N	232.644	1.285	70	50	BDIA	
O=S(=O)(F)Oc1cccc2c1NCCC2	1875389965	ZSNXGBQVECEZOY-UHFFFAOYSA-N	231.248	1.638	70	50	BDIA	
COc1ccc(CS(=O)(=O)Cl)cc1	100083142	VEFXSKSTBDKZFF-UHFFFAOYSA-N	220.677	1.764	70	50	BDIA	in-vitro
C[SiH](C)c1c(F)c(F)cc(F)c1F	169816101	CBWXSRWOFRQGJY-UHFFFAOYSA-N	208.230	1.937	70	50	BDIA	
NC1=CS(=O)(=O)c2cc(C(F)(F)F)ccc21	217046809	VCGFKAHCDACNDM-UHFFFAOYSA-N	249.213	1.750	70	50	BDIA	
O=C(Cl)c1ccc(S(=O)(=O)F)cc1	95736102	JMTAYFNTRRLWQG-UHFFFAOYSA-N	222.624	1.724	70	50	BDIA	in-vitro
F[B-](F)(F)c1cccnc1Br	170163501	FOBSDNPQZZQEFQ-UHFFFAOYSA-N	224.796	1.899	70	50	BDIA	
COc1cc(F)c(S(=O)(=O)F)c(F)c1	675065527	IQSJUDPODVNCDT-UHFFFAOYSA-N	226.175	1.632	70	50	BDIA	
CN(C1CCCCC1)S(=O)(=O)Cl	98050244	RQDWFSSEDVWNMI-UHFFFAOYSA-N	211.714	1.735	70	50	BDIA	in-vitro
Nc1ccc(C(=O)NCCC[C@H]2CCOC2)cn1	218364152	DPRQDHAQWXUPGI-JTQLQIEISA-N	249.314	1.210	70	50	BDIA	
COc1c(F)cc(S(=O)(=O)Cl)cc1F	100508121	KFFHNAWTMVKBID-UHFFFAOYSA-N	242.630	1.901	70	50	BDIA	
CN(C)Cc1ccc([B-](F)(F)F)cc1	238331948	HSONHEADDIMNQR-UHFFFAOYSA-N	202.008	1.803	70	50	BDIA	
O=S(=O)(F)c1ccnn1C1CCCC1	675064148	CHINSTSNYZGLNR-UHFFFAOYSA-N	218.253	1.656	70	50	BDIA	
O=[N+]([O-])c1ccc(F)c(S(=O)(=O)Cl)c1	100023090	VQHGELUKJYOETQ-UHFFFAOYSA-N	239.611	1.661	70	50	BDIA	in-vitro
O=C1CCCc2cc(S(=O)(=O)F)ccc2N1	675066075	WFDDGDZZLVIESP-UHFFFAOYSA-N	243.259	1.620	70	50	BDIA	
O=S(=O)(F)[C@@H]1C[C@H]2C=C[C@H]1C21CC1	1857782587	WYFWARILCPVWFB-BWZBUEFSSA-N	202.250	1.640	70	50	BDIA	
O=C(O)c1sccc1S(=O)(=O)Cl	102237049	VWWFEZXWHBORHN-UHFFFAOYSA-N	226.662	1.374	70	50	BDIA	
CN(C[C@H]1CCCCN1C)C(=O)c1ccc[nH]1	217135503	KBJDANQDCICZMI-LLVKDONJSA-N	235.331	1.571	70	50	BDIA	
COc1ccc(S(=O)(=O)F)c([N+](=O)[O-])c1	238853340	JDMUCRUMLXGKCK-UHFFFAOYSA-N	235.192	1.262	70	50	BDIA	
O=S(=O)(F)Oc1ccc2c(c1)NCCC2	1875389897	KNIDQNNXAFZQTN-UHFFFAOYSA-N	231.248	1.638	70	50	BDIA	
Cc1ccc(C#N)c(S(=O)(=O)Cl)c1	95676419	ZFQDREVAYVNITB-UHFFFAOYSA-N	215.661	1.794	70	50	BDIA	in-vitro
Cc1ccc(OCCS(=O)(=O)Cl)cc1	100153518	LPFWKKSPCKBGON-UHFFFAOYSA-N	234.704	1.942	70	50	BDIA	
O=S(=O)(F)[C@@H]1CCCCC1(F)F	1857779260	RWCWRXUYNSOQJF-RXMQYKEDSA-N	202.197	1.864	70	50	BDIA	
Cc1noc(C)c1CNc1nccc(N(C)C)n1	160474075	OQCASCOXNVKQSH-UHFFFAOYSA-N	247.302	1.760	70	50	BDIA	
Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)[C@@H](C)N	160774499	IYDIBBDZPYHOBP-VHSXEESVSA-N	234.299	1.456	70	50	BDIA	
COC1CCC(S(=O)(=O)Cl)CC1	164326197	QHQFCIVYXHOXSN-UHFFFAOYSA-N	212.698	1.513	70	50	BDIA	
O=S(=O)(F)c1ccnn1-c1ccccc1	1772716484	VYECLQSRNOEPOT-UHFFFAOYSA-N	226.232	1.531	70	50	BDIA	
O=S(=O)(F)c1ccoc1C(F)F	1772771080	UTWSXEXXSFEKHH-UHFFFAOYSA-N	200.137	1.875	70	50	BDIA	
Fc1c([B-](F)(F)F)ccnc1N1CCOCC1	217049080	HUINZWJZZYELNU-UHFFFAOYSA-N	248.996	1.112	70	50	BDIA	
O=S(=O)(F)[C@H]1CCCCC1(F)F	1857779261	RWCWRXUYNSOQJF-YFKPBYRVSA-N	202.197	1.864	70	50	BDIA	
O=Cc1ccccc1OS(=O)(=O)F	257373250	SUOCJDDQQKVIKZ-UHFFFAOYSA-N	204.178	1.092	70	50	BDIA	
CCOc1ccc(S(=O)(=O)F)cc1N	101017392	VHQMHHNNPYKUPQ-UHFFFAOYSA-N	219.237	1.326	70	50	BDIA	
COc1cc(OC)cc(OS(=O)(=O)F)c1	1875375874	QWZJQEMVHCRSFH-UHFFFAOYSA-N	236.220	1.297	70	50	BDIA	
C[C@@H](NC(=O)c1ccc(O)cn1)c1cnn(C)c1	217207693	HBPQOZXTDCVZHT-MRVPVSSYSA-N	246.270	1.012	70	50	BDIA	
CN(CCc1cccc(C#N)c1)S(=O)(=O)F	1875375249	WJVPEVLGSBYNFA-UHFFFAOYSA-N	242.275	1.247	70	50	BDIA	
CCn1ncc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c1C	218780187	XOFVLJHHBMHNLS-USWWRNFRSA-N	249.314	1.119	70	50	BDIA	
COC(=O)c1ccc(CS(=O)(=O)Cl)cc1	100027880	VTQZPLOSFBIFGF-UHFFFAOYSA-N	248.687	1.542	70	50	BDIA	in-vitro
F[B-](F)(F)c1ccc(Br)nc1	170174549	USMNBWMFCLPVNK-UHFFFAOYSA-N	224.796	1.899	70	50	BDIA	
COCCNC(=O)c1cccc([B-](F)(F)F)c1	169746121	WEEPPPRWXWKWNP-UHFFFAOYSA-N	246.017	1.117	70	50	BDIA	
COc1ccc(S(=O)(=O)F)cc1NC(C)=O	100972668	DPQQVRWSRIMQLT-UHFFFAOYSA-N	247.247	1.312	70	50	BDIA	
COc1cccnc1NC[C@H]1CCCO1	160198687	KHNWYDQYZGVLPW-SECBINFHSA-N	208.261	1.681	70	50	BDIA	
O=C(O)c1cccc(S(=O)(=O)Cl)c1	59671575	LMRKXSDOAFUINK-UHFFFAOYSA-N	220.633	1.312	70	50	BDIA	in-vitro
CC(C)Cn1cnc(S(=O)(=O)F)c1	675063202	NIKDZZUDFITHQC-UHFFFAOYSA-N	206.242	1.197	70	50	BDIA	
Cc1cc(C)c2nonc2c1S(=O)(=O)Cl	100153046	KFIKFRDBDZKOMA-UHFFFAOYSA-N	246.675	1.767	70	50	BDIA	in-vitro
O=S(=O)(F)c1ccc2c(c1)NCC2	713027716	YIIBDJZFCFVSKN-UHFFFAOYSA-N	201.222	1.313	70	50	BDIA	
O=S(=O)(F)Cc1cn2ccccc2n1	757180330	VCBHDXXFTBGLCD-UHFFFAOYSA-N	214.221	1.134	70	50	BDIA	
COC(=O)c1cc(N)cc([B-](F)(F)F)c1	169977943	NZZCBYQFJPFPNO-UHFFFAOYSA-N	217.963	1.110	70	50	BDIA	
COc1cc(S(=O)(=O)F)ccc1F	675065173	BXKIGTKFYBNNKT-UHFFFAOYSA-N	208.185	1.493	70	50	BDIA	
Cc1ccc(S(=O)(=O)F)cc1[N+](=O)[O-]	100818209	SBXIZNYNBRPFDU-UHFFFAOYSA-N	219.193	1.561	70	50	BDIA	
Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3O)c(C)o1	216999280	AGYXLXGHJXUNEN-PJXYFTJBSA-N	249.310	1.739	70	50	BDIA	
COCc1cccc(S(=O)(=O)Cl)c1	59222040	GZHZNHHCIDCIOG-UHFFFAOYSA-N	220.677	1.761	70	50	BDIA	
Cc1ccc(S(=O)(=O)F)c([N+](=O)[O-])c1	675067067	XYCBOCROSBLWBL-UHFFFAOYSA-N	219.193	1.561	70	50	BDIA	
CN(C)C(=O)c1cccc(S(=O)(=O)Cl)c1	100574733	BIAIGUIFZWVGJW-UHFFFAOYSA-N	247.703	1.316	70	50	BDIA	
O=S(=O)(F)c1cccc(S(=O)(=O)F)c1	137874892	VCINFPPPNNZOAD-UHFFFAOYSA-N	242.224	1.003	70	50	BDIA	
C[C@H](N(C)S(=O)(=O)Cl)C(F)(F)F	100587316	XGJHAAXYPJTPDR-VKHMYHEASA-N	225.619	1.353	70	50	BDIA	
CC(=O)Nc1ncc(S(=O)(=O)Cl)s1	100072120	LYOHVKFYBJLEEP-UHFFFAOYSA-N	240.693	1.029	70	50	BDIA	
COc1ccc(S(=O)(=O)Cl)cc1C	59336493	JJDPJUVEBAXEDF-UHFFFAOYSA-N	220.677	1.931	70	50	BDIA	in-vitro
O=S(=O)(Cl)c1c(Cl)ccnc1F	307536841	UDVKQIQJWYYYNW-UHFFFAOYSA-N	230.047	1.802	70	50	BDIA	
Cc1cc(Cl)ncc1S(=O)(=O)Cl	100026732	BYILBFFYTJJANW-UHFFFAOYSA-N	226.084	1.971	70	50	BDIA	in-vitro
O=S(=O)(Cl)c1ccc(F)cc1F	59796770	FJSAJUXIHJIAMD-UHFFFAOYSA-N	212.604	1.892	70	50	BDIA	in-vitro
CC(=O)c1ccc(S(=O)(=O)Cl)cc1	95713882	FXVDNCRTKXMSEZ-UHFFFAOYSA-N	218.661	1.817	70	50	BDIA	in-vitro
CCOC1(CS(=O)(=O)Cl)CCC1	258089227	MXGZWMFXZDAUOG-UHFFFAOYSA-N	212.698	1.514	70	50	BDIA	
Cc1cc(C)c(S(=O)(=O)F)cc1[N+](=O)[O-]	100814239	QXWWYDWHZXVCMF-UHFFFAOYSA-N	233.220	1.870	70	50	BDIA	
Cn1c(=O)oc2cc(S(=O)(=O)Cl)ccc21	95686540	MRSCMVKREGBNOW-UHFFFAOYSA-N	247.659	1.059	70	50	BDIA	
O=S(=O)(Cl)c1cnc(Cl)nc1	59145530	DMAOAJYJIATWJS-UHFFFAOYSA-N	213.045	1.058	70	50	BDIA	in-vitro
O=S(=O)(F)c1ccc2ncsc2c1	200595468	WICPFEORCLCQFC-UHFFFAOYSA-N	217.246	1.955	70	50	BDIA	
O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1F	59200948	AAWFUSFNPBRQDE-UHFFFAOYSA-N	239.611	1.661	70	50	BDIA	
COC(=O)c1cc(S(=O)(=O)F)ccc1C	238854597	OLSVABLFCPAMGX-UHFFFAOYSA-N	232.232	1.440	70	50	BDIA	
O=S(=O)(F)Oc1ccccc1-c1nnco1	1875389878	DQFPENWRBCGOOM-UHFFFAOYSA-N	244.203	1.330	70	50	BDIA	
Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccccc1	218278071	BUYXNFCQSAZLGC-JTQLQIEISA-N	245.282	1.019	70	50	BDIA	
CNC(=O)c1cccc([B-](F)(F)F)c1F	216709069	SYFKPNBBVDZCSB-UHFFFAOYSA-N	219.954	1.240	70	50	BDIA	
CCOC(=O)c1cc(S(=O)(=O)F)ccc1C	238850871	DCIBBLKHYGNNCC-UHFFFAOYSA-N	246.259	1.830	70	50	BDIA	
O=S(=O)(Cl)N1CCC(F)(F)CC1	100552831	QSGQFPJNSNFIMU-UHFFFAOYSA-N	219.640	1.201	70	50	BDIA	in-vitro
c1ccc([SiH2]c2cccc3ccccc23)cc1	170167227	FYPVRHDXFWNYTG-UHFFFAOYSA-N	234.374	1.959	70	50	BDIA	
O=S(=O)(F)CCc1cccnc1F	1775956476	FMVRYFUTWSJKLW-UHFFFAOYSA-N	207.201	1.063	70	50	BDIA	
CC(C)(C)N[SiH](NC(C)(C)C)NC(C)(C)C	170156885	UGJHADISJBNSFP-UHFFFAOYSA-N	245.487	1.868	70	50	BDIA	
COC(=O)c1ccc(F)c(S(=O)(=O)F)c1	238851002	DQNOWHHDEIYPCO-UHFFFAOYSA-N	236.195	1.271	70	50	BDIA	
O=S(=O)(F)N1CCC[C@H]2CCCC[C@@H]21	1772717672	WFANIWUXNZZIIT-BDAKNGLRSA-N	221.297	1.855	70	50	BDIA	
COc1c(C)cc(S(=O)(=O)F)cc1C	238850665	CKNZICWRIRJGBM-UHFFFAOYSA-N	218.249	1.970	70	50	BDIA	
O=S(=O)(F)C#Cc1ccc(F)cc1	1857784398	UFPNMHXLKZECLX-UHFFFAOYSA-N	202.181	1.434	70	50	BDIA	
C=CCOC(F)(F)C(F)(F)S(=O)(=O)F	95671296	IMNCTHAFGYFIOE-UHFFFAOYSA-N	240.149	1.674	70	50	BDIA	in-vitro
O=C(O)c1cc(S(=O)(=O)Cl)ccc1F	100013328	CISMZCVQNVNWJW-UHFFFAOYSA-N	238.623	1.451	70	50	BDIA	in-vitro
O=C(O)CCc1ccc(S(=O)(=O)Cl)cc1	95698236	INJMPXHPNFJMLG-UHFFFAOYSA-N	248.687	1.631	70	50	BDIA	in-vitro
Cc1ccc(C)n1CC(=O)NCCn1ccnc1	218492606	PNHLZIUBCKRHPU-UHFFFAOYSA-N	246.314	1.118	70	50	BDIA	
COc1ccc(C(=O)O)cc1S(=O)(=O)F	100858199	TXPKNOFHNYQSLR-UHFFFAOYSA-N	234.204	1.052	70	50	BDIA	
N#Cc1ccc(S(=O)(=O)F)c(Cl)c1	606285690	BYCULQLBSBNIPO-UHFFFAOYSA-N	219.624	1.870	70	50	BDIA	
O=[N+]([O-])c1ccc(OS(=O)(=O)F)cc1	196261801	ICXNXTKCSQTYEN-UHFFFAOYSA-N	221.165	1.188	70	50	BDIA	
Cn1cnc(S(=O)(=O)Cl)c1Cl	100008741	SWTLYSQAVQWLET-UHFFFAOYSA-N	215.061	1.001	70	50	BDIA	in-vitro
O=S(=O)(F)Oc1ccc(-c2nnco2)cc1	1875374504	UBKQWKDHSGLHOU-UHFFFAOYSA-N	244.203	1.330	70	50	BDIA	
O=[N+]([O-])c1cc(S(=O)(=O)F)sc1Cl	141598717	IVFWBVBLKZWDBF-UHFFFAOYSA-N	245.640	1.968	70	50	BDIA	
CCOc1cccnc1S(=O)(=O)F	1772717288	PIPZIWGAZBGPII-UHFFFAOYSA-N	205.210	1.139	70	50	BDIA	
O=S(=O)(F)c1ccc(C(F)F)cn1	725243737	FSMCDDVDNSNAPJ-UHFFFAOYSA-N	211.164	1.677	70	50	BDIA	
CCSC[C@H](C)N1CCCNCC1	159495769	YELSOHRDLDBEHU-JTQLQIEISA-N	202.367	1.423	70	50	BDIA	
CNC[C@@H]1CCCN1C(=O)/C=C/c1ccccn1	161215672	GCVNLIKEUKRCOS-GWJCSSMESA-N	245.326	1.305	70	50	BDIA	
O=S(=O)(Cl)c1cccc2nccnc12	59996706	NAKORIYAIZIQHQ-UHFFFAOYSA-N	228.660	1.557	70	50	BDIA	in-vitro
O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)F	238856368	VUXFRJFWTOLGPJ-UHFFFAOYSA-N	223.156	1.392	70	50	BDIA	
O=[N+]([O-])c1ccc(S(=O)(=O)F)cc1F	675065904	SNBKCPAOLDTOII-UHFFFAOYSA-N	223.156	1.392	70	50	BDIA	
COc1cc(C)c(S(=O)(=O)F)c(C)c1	606285832	QJIKXTKFZTUMFF-UHFFFAOYSA-N	218.249	1.970	70	50	BDIA	
COc1ccc(S(=O)(=O)F)c(C)c1	675063872	RLECHTFEUBOACU-UHFFFAOYSA-N	204.222	1.662	70	50	BDIA	
N[C@@H]1CCN(C(=O)CCc2ccsc2)C1	160184741	XXQUKYOYAFXDAJ-SNVBAGLBSA-N	224.329	1.240	70	50	BDIA	
CC[C@@]1(C)CC[C@@H](CS(=O)(=O)F)O1	1772718069	REWNBKOKARIJNF-YUMQZZPRSA-N	210.270	1.633	70	50	BDIA	
OCc1cc2n(n1)CCCN(Cc1ccco1)C2	217632368	UUKHPSUCEAUDNU-UHFFFAOYSA-N	247.298	1.374	70	50	BDIA	
Cc1ccc(OCCN(C)S(=O)(=O)F)cc1	1875374803	FPMBKWSURLWCDE-UHFFFAOYSA-N	247.291	1.520	70	50	BDIA	
Nc1cccc(OS(=O)(=O)F)c1F	1875390079	UAESKOWDFPRFJD-UHFFFAOYSA-N	209.173	1.001	70	50	BDIA	
N#Cc1ccc2c(c1)CN(S(=O)(=O)F)C2	1875373565	GEBQYOZTGOVYAJ-UHFFFAOYSA-N	226.232	1.088	70	50	BDIA	
CNC[C@@H]1CCCN1C(=O)c1oc(C)cc1C	161208720	JLLBQEBBDUVKRO-NSHDSACASA-N	236.315	1.720	70	50	BDIA	
C[C@@]1(CS(=O)(=O)F)OC(=O)c2ccccc21	1875369109	QRNLYWKAHBBCKS-JTQLQIEISA-N	244.243	1.372	70	50	BDIA	
N#Cc1cc(Cl)ccc1S(=O)(=O)F	238856499	WBFOJMYUYVCUNO-UHFFFAOYSA-N	219.624	1.870	70	50	BDIA	
CC(=O)N1CCc2cc(S(=O)(=O)F)ccc21	675063411	SHQYJPJPQGMZKC-UHFFFAOYSA-N	243.259	1.254	70	50	BDIA	
O=S(=O)(F)Oc1ccc2cnsc2c1	1875374735	ZQMXGDPBONQGTE-UHFFFAOYSA-N	233.245	1.889	70	50	BDIA	
O=C(c1ccncc1F)N1CCSCC1	161427808	DGBFVUAUZDGGFL-UHFFFAOYSA-N	226.276	1.410	70	50	BDIA	
O=C1C=C(OS(=O)(=O)C(F)(F)F)CCC1	115805794	FHJYHLPYGBAQKI-UHFFFAOYSA-N	244.190	1.490	70	50	BDIA	in-vitro
CC/C=C(\C)C(=O)NC[C@H]1CCCNC1	217462290	NFKVRSYKBWFTIP-UAWPZABVSA-N	210.321	1.459	70	50	BDIA	
O=[N+]([O-])c1cc(S(=O)(=O)F)ccc1Cl	95850926	AMGFGPCYAMRLHF-UHFFFAOYSA-N	239.611	1.906	70	50	BDIA	
CCN1Cc2ccc(OS(=O)(=O)F)cc2C1	1875390103	YKNIVGKIOCELGP-UHFFFAOYSA-N	245.275	1.615	70	50	BDIA	
CC(=O)Nc1ccc([B-](F)(F)F)cc1	170018664	OLUHAJRWNTVBBP-UHFFFAOYSA-N	201.964	1.699	70	50	BDIA	in-vitro
O=S(=O)(F)CCN1CCOc2ccccc21	883954533	QNFVCWCAYLNMEW-UHFFFAOYSA-N	245.275	1.185	70	50	BDIA	
Cc1ccc(C#N)cc1S(=O)(=O)Cl	100633075	HDCNLHWRDPSBDB-UHFFFAOYSA-N	215.661	1.794	70	50	BDIA	
O=C(O)c1cc(S(=O)(=O)F)ccc1Cl	95736083	HXVUCIYXBTYQLK-UHFFFAOYSA-N	238.623	1.696	70	50	BDIA	
F[B-](F)(F)c1ccc2c(c1)OCCO2	170165279	YCHSEZQXOILJIW-UHFFFAOYSA-N	202.948	1.512	70	50	BDIA	
CCCn1nc(C)c(S(=O)(=O)F)c1C	675064440	JDKMMSKENXDPCJ-UHFFFAOYSA-N	220.269	1.568	70	50	BDIA	
OCCOc1ccc([B-](F)(F)F)cc1	170011626	NFXZQBZQSMYJGI-UHFFFAOYSA-N	204.964	1.112	70	50	BDIA	
N#Cc1ccccc1OS(=O)(=O)F	257354935	FWHISILUCPTNBH-UHFFFAOYSA-N	201.178	1.151	70	50	BDIA	
O=S(=O)(Cl)C(F)(F)C(F)(F)Cl	100764456	MMAXEXCJVVINKX-UHFFFAOYSA-N	234.985	1.979	70	50	BDIA	
Cc1ccc(S(=O)(=O)F)c(C)c1C(=O)O	675065402	GGAJFUXEZIDVCK-UHFFFAOYSA-N	232.232	1.660	70	50	BDIA	
CO[C@](C)(CS(=O)(=O)F)c1ccccc1	675064612	MZZBISWNRQZLIZ-SNVBAGLBSA-N	232.276	1.848	70	50	BDIA	
N#Cc1ccc(S(=O)(=O)Cl)s1	216652713	NLZKHEBCUFNQKA-UHFFFAOYSA-N	207.663	1.547	70	50	BDIA	in-vitro
CC(C)(C)c1cnc(S(C)(=O)=O)s1	160341804	DCISIDHKLNHFKE-UHFFFAOYSA-N	219.331	1.844	70	50	BDIA	
O=C(O)Cc1ccc(S(=O)(=O)Cl)cc1	72399607	FQSSPHAFXLRJBR-UHFFFAOYSA-N	234.660	1.241	70	50	BDIA	in-vitro
O=S(=O)(OCC(F)F)C(F)(F)F	95682147	NKULBUOBGILEAR-UHFFFAOYSA-N	214.111	1.118	70	50	BDIA	
O=S(=O)(F)[C@@H]1CC[C@H]2CC[C@H]1OC2	1772770689	WTINUUCUYPHRHL-BWZBUEFSSA-N	208.254	1.243	70	50	BDIA	
CCOCC(=O)N[C@@H](CC)c1ncccc1C	218305902	OIHDGKOEUYPNRS-NSHDSACASA-N	236.315	1.994	70	50	BDIA	
CCOC(=O)c1ccc(OS(=O)(=O)F)cc1	257373333	WSJHOCQDJHFOCL-UHFFFAOYSA-N	248.231	1.456	70	50	BDIA	
Cn1cnc2c(OS(=O)(=O)F)cccc21	1875374536	VSUZYCNNLYLASC-UHFFFAOYSA-N	230.220	1.166	70	50	BDIA	
CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1	59245654	GRDXCFKBQWDAJH-UHFFFAOYSA-N	233.676	1.573	70	50	BDIA	investigational
O=S(=O)(Cl)CCOCC(F)(F)F	100627986	BLEGLFNPVBSABR-UHFFFAOYSA-N	226.603	1.134	70	50	BDIA	
O=S(=O)(F)c1ccccc1S(=O)(=O)F	139290471	DNXLZBKMVRTNHQ-UHFFFAOYSA-N	242.224	1.003	70	50	BDIA	
Nc1cc(S(=O)(=O)F)c(F)cc1NC1CC1	390822103	DNAUTUZZCLZSCC-UHFFFAOYSA-N	248.254	1.640	70	50	BDIA	
CCc1c(S(=O)(=O)Cl)cnn1CC	100481812	SVEWRNXANPVKSD-UHFFFAOYSA-N	222.697	1.393	70	50	BDIA	
COc1ccccc1OS(=O)(=O)F	257354988	IHDUUYDISDOOKJ-UHFFFAOYSA-N	206.194	1.288	70	50	BDIA	
O=S(=O)(F)N1CC[C@H]2CCCC[C@H]2C1	1772717415	AVOXGONYDOMMAE-BDAKNGLRSA-N	221.297	1.713	70	50	BDIA	
Cc1ccc(S(=O)(=O)Cl)c(C)c1C(=O)O	100461165	DCYJDJUIRUWRNJ-UHFFFAOYSA-N	248.687	1.929	70	50	BDIA	
CNC(=O)Nc1ccc(S(=O)(=O)F)cc1	958719517	LPDHCHDPDJBFPW-UHFFFAOYSA-N	232.236	1.096	70	50	BDIA	
COCCNC(=O)c1ccc([B-](F)(F)F)cc1	169746056	ABOSIXIKPYFTLH-UHFFFAOYSA-N	246.017	1.117	70	50	BDIA	
OCc1cc2n(n1)CCCN(Cc1ccoc1)C2	217023956	MJNNPFAIHNUJDA-UHFFFAOYSA-N	247.298	1.374	70	50	BDIA	
COC(=O)c1c(C)oc(C)c1S(=O)(=O)F	675064202	XLDCIVIZTLDKIE-UHFFFAOYSA-N	236.220	1.341	70	50	BDIA	
O=S(=O)(Cl)CCOc1ccccc1	59677496	ISBGBCOJYLFKKE-UHFFFAOYSA-N	220.677	1.634	70	50	BDIA	
CN(Cc1cccc(F)c1)S(=O)(=O)F	253424681	JIVKBVBDYOIBHU-UHFFFAOYSA-N	221.228	1.472	70	50	BDIA	
F[B-](F)(F)c1ccc(Cn2cccn2)cc1	216632413	ZPLASTDQWYXXDW-UHFFFAOYSA-N	225.002	1.986	70	50	BDIA	
Cc1ccn2c(S(=O)(=O)Cl)c(C)nc2c1	97973128	STIJLIRFMRTLSI-UHFFFAOYSA-N	244.703	1.879	70	50	BDIA	
COCCOCCOCCOC[B-](F)(F)F	208326892	XKSNQHXNQIRMRH-UHFFFAOYSA-N	245.026	1.069	70	50	BDIA	
COc1ccc(OS(=O)(=O)F)cc1	196577530	KRFXUAVCNYFMJE-UHFFFAOYSA-N	206.194	1.288	70	50	BDIA	
Cn1nc(C(C)(C)C)cc1[B-](F)(F)F	169995731	PPDBYNTZDRMAOG-UHFFFAOYSA-N	205.012	1.772	70	50	BDIA	
N#Cc1ccc(OS(=O)(=O)F)cc1	257373213	QVLLNLVBRUJXHZ-UHFFFAOYSA-N	201.178	1.151	70	50	BDIA	
O=S(=O)(F)c1nccc(C(F)(F)F)n1	697644150	QDKFONXJQLOOAG-UHFFFAOYSA-N	230.142	1.154	70	50	BDIA	
Cc1ccccc1[C@H]1CN(C(=O)[C@H](C)N)CCO1	160840121	VCFGDRIRKUPMJN-WCQYABFASA-N	248.326	1.242	70	50	BDIA	
C[C@@H]1c2ccccc2CN1S(=O)(=O)F	1875373697	LAWHRIPIECZUPT-SSDOTTSWSA-N	215.249	1.778	70	50	BDIA	
COc1cc(C(F)(F)F)ccc1[C@H](O)CN	216896333	JVFFEVWIQNIVGA-MRVPVSSYSA-N	235.205	1.706	70	50	BDIA	
O=c1[nH]c2cc(S(=O)(=O)Cl)ccc2o1	100144092	SPGGKDKJSMZXMT-UHFFFAOYSA-N	233.632	1.049	70	50	BDIA	
COc1ccc([B-](F)(F)F)cc1[N+](=O)[O-]	170014515	UEJRIZSBELHQOU-UHFFFAOYSA-N	219.935	1.658	70	50	BDIA	
Cc1nc(C)c(S(=O)(=O)Cl)s1	95681713	GFFJSTHQILQFNQ-UHFFFAOYSA-N	211.695	1.687	70	50	BDIA	in-vitro
Cc1nn(C(F)F)c(C)c1S(=O)(=O)F	675065036	XWGMJDJVRCSOAW-UHFFFAOYSA-N	228.195	1.553	70	50	BDIA	
C[Si](C)(Cl)CN1C(=O)CCCC1=O	195801813	HBYLCBBGZQDVBZ-UHFFFAOYSA-N	219.744	1.509	70	50	BDIA	
O=C(O)c1c(F)ccc(S(=O)(=O)F)c1F	675065174	BXOVUYJSNNLWKT-UHFFFAOYSA-N	240.158	1.321	70	50	BDIA	
CCCCCCN(C)S(=O)(=O)Cl	100552846	GGWSIALSTZUVHU-UHFFFAOYSA-N	213.730	1.982	70	50	BDIA	
COc1ccccc1S(=O)(=O)Cl	60003352	GYOBZOBUOMDRRN-UHFFFAOYSA-N	206.650	1.623	70	50	BDIA	in-vitro
CN1CCN(c2ccc([B-](F)(F)F)cc2)CC1	169746103	DMOOSHNKYYHGKD-UHFFFAOYSA-N	243.061	1.493	70	50	BDIA	
COC(=O)c1ccc(C)c(S(=O)(=O)Cl)c1	59338477	WOEQFPLAEXQVEJ-UHFFFAOYSA-N	248.687	1.709	70	50	BDIA	
Cc1cccc([SiH](C)c2ccccc2)c1	169817056	HNTJKAONYVKSOS-UHFFFAOYSA-N	212.368	1.966	70	50	BDIA	
COc1ccc(F)c(S(=O)(=O)Cl)c1	100014576	MEOZOFVLIUUROW-UHFFFAOYSA-N	224.640	1.762	70	50	BDIA	in-vitro
COC(=O)c1cccc(S(=O)(=O)Cl)c1	100002320	SQIBNKUEUWGZBH-UHFFFAOYSA-N	234.660	1.401	70	50	BDIA	in-vitro
C[C@@H](c1cccnc1)N(C)S(=O)(=O)F	1875374076	ZQBPEGANHDSHBM-ZETCQYMHSA-N	218.253	1.289	70	50	BDIA	
O=[N+]([O-])c1ccccc1S(=O)(=O)Cl	59699243	WPHUUIODWRNJLO-UHFFFAOYSA-N	221.621	1.522	70	50	BDIA	in-vitro
COc1ccc2c(c1)CN(S(=O)(=O)F)C2	1875375316	YZZGKTLDRWJSLP-UHFFFAOYSA-N	231.248	1.225	70	50	BDIA	
N#Cc1ccc(CS(=O)(=O)Cl)cc1	59171922	UKKQISHRHXSEGI-UHFFFAOYSA-N	215.661	1.627	70	50	BDIA	in-vitro
Cc1noc(Cl)c1S(=O)(=O)Cl	100634484	ALOGQQNILXOVHG-UHFFFAOYSA-N	216.045	1.564	70	50	BDIA	in-vitro
C[C@H](c1ccncc1)N(C)S(=O)(=O)F	1875373604	HVMNJCHPBUUIAJ-SSDOTTSWSA-N	218.253	1.289	70	50	BDIA	
CCC(=O)c1cccc(S(=O)(=O)F)c1	238851113	FEXNWBSUALVMOZ-UHFFFAOYSA-N	216.233	1.938	70	50	BDIA	
O=Cc1cc(S(=O)(=O)Cl)ccc1F	1857784444	YNSMBBVTQZDBRC-UHFFFAOYSA-N	222.624	1.566	70	50	BDIA	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)Cl)C1	100095206	RPGSVLHMPDNRFE-KNVOCYPGSA-N	211.714	1.448	70	50	BDIA	in-vitro
Cc1ccnc(-n2cc(S(=O)(=O)F)cn2)c1	675062771	AJCGKMCJDYDGCL-UHFFFAOYSA-N	241.247	1.234	70	50	BDIA	
O=S(=O)(F)c1ccc(-n2cccn2)cc1	675064579	LUILZWXVSYSKEW-UHFFFAOYSA-N	226.232	1.531	70	50	BDIA	
COC(=O)COc1ccc([B-](F)(F)F)cc1	169806898	OCBFYTLBMYRUHQ-UHFFFAOYSA-N	232.974	1.293	70	50	BDIA	
O=S(=O)(F)c1c(F)cc(F)cc1F	142477453	PUYJBWSFLASCBC-UHFFFAOYSA-N	214.139	1.762	70	50	BDIA	
O=C1Nc2ccc(S(=O)(=O)F)cc2CO1	675065998	DNRHXBTUMKDXSK-UHFFFAOYSA-N	231.204	1.407	70	50	BDIA	
CCn1c(=O)oc2cc(S(=O)(=O)F)ccc21	675065778	PYIJISRLJPAINR-UHFFFAOYSA-N	245.231	1.273	70	50	BDIA	
COc1ccc(C#N)c(S(=O)(=O)Cl)c1	100014570	CFOVDTUMIVSQGA-UHFFFAOYSA-N	231.660	1.494	70	50	BDIA	in-vitro
NC(=O)Nc1ccc(S(=O)(=O)Cl)cc1	95696968	BFJKMQNJQCJCAI-UHFFFAOYSA-N	234.664	1.105	70	50	BDIA	
O=C1Cc2cc(S(=O)(=O)Cl)ccc2N1	100021586	FYBNVKMJOOYPGI-UHFFFAOYSA-N	231.660	1.109	70	50	BDIA	in-vitro
CC(F)(F)COS(=O)(=O)C(F)(F)F	100478178	PQTXBPSLBYWNRI-UHFFFAOYSA-N	228.138	1.508	70	50	BDIA	
CCOC(=O)c1ccc(S(=O)(=O)Cl)cc1	100005770	MRNJSMNKWNPSDN-UHFFFAOYSA-N	248.687	1.791	70	50	BDIA	in-vitro
CCOC(=O)COc1ccc([B-](F)(F)F)cc1	169794615	VEQIQNMONIMGCH-UHFFFAOYSA-N	247.001	1.683	70	50	BDIA	in-vitro
O=S(=O)(Cl)Cc1ccc(F)cc1	59681350	UUQGWVIRPCRTSA-UHFFFAOYSA-N	208.641	1.894	70	50	BDIA	
Cn1cc2cc(S(=O)(=O)Cl)ccc2n1	103533332	AQKYXMWGYKMGPB-UHFFFAOYSA-N	230.676	1.501	70	50	BDIA	
O=C(O)c1ccc(S(=O)(=O)Cl)cc1	59796783	PTCSSXYPZOFISK-UHFFFAOYSA-N	220.633	1.312	70	50	BDIA	in-vitro
F[B-](F)(F)c1cccc(Br)n1	198309571	KANSRCNAQXWLJA-UHFFFAOYSA-N	224.796	1.899	70	50	BDIA	
Cc1cc(C#N)ccc1S(=O)(=O)Cl	100638666	VLUSOMHSAVNNLL-UHFFFAOYSA-N	215.661	1.794	70	50	BDIA	in-vitro
O=C(O)Cc1ccc(S(=O)(=O)Cl)s1	100493722	YXGUIKBJTALDPV-UHFFFAOYSA-N	240.689	1.303	70	50	BDIA	
O=S(=O)(F)c1ncccc1C(F)(F)F	307132651	HGDVZHHXIGMWDN-UHFFFAOYSA-N	229.154	1.759	70	50	BDIA	
O=[N+]([O-])c1ccccc1CS(=O)(=O)F	215883105	GVMXMZRIMPJDBZ-UHFFFAOYSA-N	219.193	1.394	70	50	BDIA	
O=C1CCc2cccc(OS(=O)(=O)F)c21	1875375922	VLFURGPZVODTLF-UHFFFAOYSA-N	230.216	1.409	70	50	BDIA	
CCOc1ccccc1S(=O)(=O)F	675064239	DYSMALZZLOIEAO-UHFFFAOYSA-N	204.222	1.744	70	50	BDIA	
N[C@@H]1C[C@@]2(CCOC2)Oc2ccccc21	160713525	GBVOHSGFNADLGO-ZYHUDNBSSA-N	205.257	1.628	70	50	BDIA	
N#Cc1cccc2c1CN(S(=O)(=O)F)C2	1875368447	RLTAXAQSDUCTOO-UHFFFAOYSA-N	226.232	1.088	70	50	BDIA	
O=C1OCc2cc([B-](F)(F)F)ccc21	169807782	WJHYTRYZFBZNKC-UHFFFAOYSA-N	200.932	1.411	70	50	BDIA	
Cc1cc2n[nH]cc2cc1S(=O)(=O)F	584879971	CYCPDGKTXHFJPS-UHFFFAOYSA-N	214.221	1.530	70	50	BDIA	
O=C(O)c1csc(S(=O)(=O)Cl)c1	100505796	UXWVXKQSUVKKNI-UHFFFAOYSA-N	226.662	1.374	70	50	BDIA	in-vitro
Cc1cnc(F)c(S(=O)(=O)Cl)c1	708573614	GOBJTYFPQRKWEW-UHFFFAOYSA-N	209.629	1.457	70	50	BDIA	
CC(C)(C)C[C@@H](CO)Nc1ncnc2nc[nH]c12	161408823	FDYISNPXYIEGKV-QMMMGPOBSA-N	249.318	1.562	70	50	BDIA	
O=S(=O)(F)c1ncccc1Br	306556064	MHBNAFLMGUQAHC-UHFFFAOYSA-N	240.053	1.502	70	50	BDIA	
N[C@H]1C[C@@]2(CCOC2)Oc2ccccc21	160713648	GBVOHSGFNADLGO-CMPLNLGQSA-N	205.257	1.628	70	50	BDIA	
CN(CCOc1ccccc1)S(=O)(=O)F	1875365403	CIZOAUVGPNJNCF-UHFFFAOYSA-N	233.264	1.212	70	50	BDIA	
COC(=O)c1ccc(CS(=O)(=O)F)cc1	238852890	HRGYPBNOTSTBPX-UHFFFAOYSA-N	232.232	1.273	70	50	BDIA	
CC[C@H](NC(=O)c1cc[nH]n1)c1c(C)noc1C	160546958	NVJZWYJJAUBPEI-VIFPVBQESA-N	248.286	1.896	70	50	BDIA	
COc1cc(C)ccc1S(=O)(=O)F	675064609	MZXRLQVTSOPGKU-UHFFFAOYSA-N	204.222	1.662	70	50	BDIA	
C[C@H](N)c1ccc(S(=O)(=O)F)cc1	114188860	NAQOYOYPJPLALY-LURJTMIESA-N	203.238	1.365	70	50	BDIA	
O=S(=O)(OCC(F)(F)F)C(F)(F)F	77319803	RTMMSCJWQYWMNK-UHFFFAOYSA-N	232.101	1.415	70	50	BDIA	in-vitro
CCOCC(=O)NCCc1nc2ccccc2o1	218598678	XBNXSXCNFIBWDP-UHFFFAOYSA-N	248.282	1.523	70	50	BDIA	
NC[C@@H]1CCCN1C(=O)/C=C/c1ccccc1F	160125827	HGOAICLRUYUWHT-GUOLPTJISA-N	248.301	1.789	70	50	BDIA	
N#CCc1ccc(S(=O)(=O)Cl)cc1	100654719	SNDFTKIOAMPBSQ-UHFFFAOYSA-N	215.661	1.680	70	50	BDIA	in-vitro
O=c1ccc2cc(S(=O)(=O)F)ccc2o1	675063388	RKZXKDHYHWIZKM-UHFFFAOYSA-N	228.200	1.451	70	50	BDIA	
O=S(=O)(F)Oc1cccc2c1CCOC2	1875390018	KNJYJLJYMHFANW-UHFFFAOYSA-N	232.232	1.352	70	50	BDIA	
O=S(=O)(Cl)c1cccc2nonc12	95712767	SIYWVPMYOGMRDW-UHFFFAOYSA-N	218.621	1.150	70	50	BDIA	in-vitro
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)F	238856571	WHBYWJRKYLCKGO-UHFFFAOYSA-N	235.192	1.262	70	50	BDIA	
CN(CCc1ccccc1)S(=O)(=O)Cl	100552854	ISCAMBXOCUKHCZ-UHFFFAOYSA-N	233.720	1.645	70	50	BDIA	
COC(=O)c1sccc1S(=O)(=O)Cl	95707830	PJVJBDAUWILEOG-UHFFFAOYSA-N	240.689	1.462	70	50	BDIA	in-vitro
Cc1nn(C)c(Cl)c1S(=O)(=O)Cl	60003346	HWGVUNSKAPCFNF-UHFFFAOYSA-N	229.088	1.309	70	50	BDIA	in-vitro
CC(C)c1nc(S(=O)(=O)Cl)cn1C	100651076	VVBVSGJCTVHRGF-UHFFFAOYSA-N	222.697	1.471	70	50	BDIA	in-vitro
CON(C)C(=O)c1ccc([B-](F)(F)F)cc1	169746041	HPYRNKXTZJDOIH-UHFFFAOYSA-N	231.990	1.374	70	50	BDIA	in-vitro
O=S(=O)(OC(F)F)C(F)(F)F	103624211	DAANAKGWBDWGBQ-UHFFFAOYSA-N	200.084	1.075	70	50	BDIA	in-vitro
Cc1ccc2c(c1)O[C@H](C)CN2C(=O)[C@@H](C)N	160774372	IYDIBBDZPYHOBP-NXEZZACHSA-N	234.299	1.456	70	50	BDIA	
O=C1CCc2ccc(OS(=O)(=O)F)cc2N1	1857780196	RJIHWMFNCOFKOG-UHFFFAOYSA-N	245.231	1.164	70	50	BDIA	
FCCCSCCN1CCOCC1	159849948	KUBDBTVAXOWKMF-UHFFFAOYSA-N	207.314	1.411	70	50	BDIA	
CN1CCOc2cc(S(=O)(=O)Cl)ccc21	95681638	PQOZDBIEDQALFA-UHFFFAOYSA-N	247.703	1.443	70	50	BDIA	
O=C(O)c1ccc(S(=O)(=O)F)cc1F	675067102	YRKBPVNLQFXFFZ-UHFFFAOYSA-N	222.168	1.182	70	50	BDIA	
N[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)C1	160196702	FVFSLHJEMSTULN-UPJWGTAASA-N	236.359	1.762	70	50	BDIA	
COC(=O)c1cscc1S(=O)(=O)F	675062946	DKAJLDCLFPUKSS-UHFFFAOYSA-N	224.234	1.193	70	50	BDIA	
C=C(CN1CCCN(C)CC1)[B-](F)(F)F	199632957	XUXWQGUVQOIYST-UHFFFAOYSA-N	221.055	1.567	70	50	BDIA	in-vitro
Cc1ccc2c(c1)B(O)c1cc(C)ccc1O2	197272913	CNODCVSPIBYCNL-UHFFFAOYSA-N	224.068	1.507	70	50	BDIA	
O=C(NS(=O)(=O)c1ccsc1)C1CCC1	159746666	OOLSXBANQFHRQQ-UHFFFAOYSA-N	245.325	1.353	70	50	BDIA	
O=C(O)c1ccc(S(=O)(=O)F)cc1Cl	253388090	BEXNYFYCTVODCD-UHFFFAOYSA-N	238.623	1.696	70	50	BDIA	
F[B-](F)(F)c1cnc(Br)s1	169904472	UYAJBYNHFDAJQP-UHFFFAOYSA-N	230.825	1.960	70	50	BDIA	in-vitro
Cc1cnc(C)c(OS(=O)(=O)F)c1	1875390022	KXJGULQSDMDRDX-UHFFFAOYSA-N	205.210	1.292	70	50	BDIA	
CN(C)c1ccc(S(=O)(=O)Cl)cc1	100070229	RTQAIFXZCMVBDT-UHFFFAOYSA-N	219.693	1.680	70	50	BDIA	in-vitro
CCc1ccc(C(=O)O)cc1S(=O)(=O)Cl	100517791	SKNKEPXGRHVXFL-UHFFFAOYSA-N	248.687	1.875	70	50	BDIA	
COC(=O)c1sccc1S(=O)(=O)F	238730580	YLQWEWBWWLVJOT-UHFFFAOYSA-N	224.234	1.193	70	50	BDIA	
Cc1ccc(C(=O)O)cc1S(=O)(=O)Cl	100009271	XVAASXODNQTGCP-UHFFFAOYSA-N	234.660	1.621	70	50	BDIA	in-vitro