smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1[nH]nc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1S(=O)(=O)Cl	115798841	RTGVNJOFNCKPSC-JTQLQIEISA-N	355.825	-0.047	70	10	FBIE	
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H](O)CN1CCCCC1	160021354	YEWKKKUKEJZDNN-ZDUSSCGKSA-N	360.414	-0.347	70	10	FBIE	
COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)Cc1ccc(S(=O)(=O)F)cc1	1537268579	XEGIZKSKRDXOTG-GFCCVEGCSA-N	372.374	-0.271	70	10	FBIE	
CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC1CN(S(=O)(=O)F)C1	2243721310	CNKQOLLPXKKFIM-SECBINFHSA-N	355.388	-0.723	70	10	FBIE	
CC(C)(C)OC(=O)NCCOCC(=O)NC1CN(S(=O)(=O)F)C1	2243721817	LHPCSTISJIQTCV-UHFFFAOYSA-N	355.388	-0.458	70	10	FBIE	
NC(=O)[C@@H]1CNCCN1c1cnn(CC2CC2)c(=O)c1Br	159627618	LCTRQUBBXDXMBI-JTQLQIEISA-N	356.224	-0.321	70	10	FBIE	
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2250017332	WTRZAQLOCBNDSF-UTLUCORTSA-N	369.415	-0.335	70	10	FBIE	
COC(OC)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1146857095	UZQJYOBUSOQJCY-UHFFFAOYSA-N	363.367	-0.424	70	10	FBIE	
COCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1683705385	JTUMVCWPSRRHAX-MNOVXSKESA-N	363.367	-0.989	70	10	FBIE	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)F)CC1	2010544570	OUUGZNVRYGMUOF-JTQLQIEISA-N	369.415	-0.115	70	10	FBIE	
COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)Cn2ccccc2=O)cc1	218474890	LQGXUBKPXXJNLN-ZDUSSCGKSA-N	366.395	-0.026	70	10	FBIE	
COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NC1CN(S(=O)(=O)F)C1	2248485420	GWJJUACFDLLNSF-CYBMUJFWSA-N	369.415	-0.069	70	10	FBIE	
CC[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1718644686	FNZKXVVTNBEMCQ-WCABBAIRSA-N	361.395	-0.074	70	10	FBIE	
CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)NC1CN(S(=O)(=O)F)C1	2248499354	KWQOPAVZCFBAGR-SECBINFHSA-N	369.415	-0.335	70	10	FBIE	
COC(=O)[C@H](CC1OCCO1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1152695966	QTWYBCSWHBXKIL-VIFPVBQESA-N	350.324	-0.293	70	10	FBIE	
COC[C@H](O)CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C	1657002190	YRRXSHXDCQWHRS-FOGDFJRCSA-N	363.411	-0.127	70	10	FBIE	
CC(C)=CC(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1O	1739394723	FYDNXINEKOOFEL-VXGBXAGGSA-N	359.379	-0.059	70	10	FBIE	
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCC1CN(S(=O)(=O)F)C1	1974056042	ZVZHQGDZVWTLRE-JTQLQIEISA-N	369.415	-0.476	70	10	FBIE	
COc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1S(=O)(=O)F	1543095874	CDWRCHOCPVFIJI-QMMMGPOBSA-N	359.335	-0.607	70	10	FBIE	
NC(=S)c1ccc(Cl)c(S(=O)(=O)NCCCS(N)(=O)=O)c1	160874531	CYDQSRPCBKPQHY-UHFFFAOYSA-N	371.893	-0.069	70	10	FBIE	
CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCN(S(=O)(=O)F)CC1	2018050334	JZDFBMYQWNCGLP-JTQLQIEISA-N	369.415	-0.379	70	10	FBIE	
CN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)C1=O	1131343734	PNEZGIQJIBQRGM-UHFFFAOYSA-N	361.282	-0.157	70	10	FBIE	
CC(C)C#CC(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1O	1735919830	IZVQZXAHIOXCEE-OLZOCXBDSA-N	371.390	-0.366	70	10	FBIE	
O=C1c2ccccc2C(=O)N1CCc1nnn(CCS(=O)(=O)F)n1	883953044	FOGHKGKHGNJNNP-UHFFFAOYSA-N	353.335	-0.189	70	10	FBIE	
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CN(S(=O)(=O)F)C1	1974058274	DTEPFUHSSNPHFO-SCZZXKLOSA-N	369.415	-0.477	70	10	FBIE	
CNS(=O)(=O)c1ccccc1S(=O)(=O)CCS(=O)(=O)Cl	112215099	CPLKWMXNMRMLSL-UHFFFAOYSA-N	361.850	-0.063	70	10	FBIE	
O=C(NCCS(=O)(=O)N1CCCC1)c1cc(S(=O)(=O)F)c[nH]1	1617740331	XSFYCNWIEJKPKF-UHFFFAOYSA-N	353.397	-0.172	70	10	FBIE	
CC(C)(C)OC(=O)NC1(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)COC1	2250019432	STKYTMMKJUDDPV-VIFPVBQESA-N	367.399	-0.315	70	10	FBIE	
CCS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1539098107	MYXVIOWQTMYBOK-UHFFFAOYSA-N	353.397	-0.220	70	10	FBIE	
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC(S(=O)(=O)F)C1	1992835900	HROGBDHHYAKQGO-QMMMGPOBSA-N	353.372	-0.735	70	10	FBIE	
CCN1CCN(C(=O)CC2=CSC3=NCCN23)[C@@H]2CS(=O)(=O)C[C@@H]21	216752476	HDYLPWQLIXVWHI-QWHCGFSZSA-N	370.500	-0.034	70	10	FBIE	
CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1O	1572844449	VPBVDMNEOADAOD-FBIMIBRVSA-N	365.358	-0.278	70	10	FBIE	
C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NC1CN(S(=O)(=O)F)C1	2243723299	ZCYUSJGCEVVZFL-CBAPKCEASA-N	355.388	-0.725	70	10	FBIE	
CC(C)(C)OC(=O)NCC1(C(=O)NC2CN(S(=O)(=O)F)C2)COC1	2248494323	VREDPSNORSJPCA-UHFFFAOYSA-N	367.399	-0.458	70	10	FBIE	
C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](CNCC(N)=O)C1	1316704947	SEWBRISXQVJINW-ZJUUUORDSA-N	360.411	-0.012	70	10	FBIE	
CC(C)(C)OC(=O)NC1(C(=O)N2CCN(S(=O)(=O)F)CC2)COC1	2010538533	HHDSEDDNKMQTPS-UHFFFAOYSA-N	367.399	-0.361	70	10	FBIE	
C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)F)CC1	2010541465	UOXLHSXUGFCRTL-NXEZZACHSA-N	369.415	-0.381	70	10	FBIE	
Cc1noc([C@H]2COCCN2Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)n1	160972486	NZFJJJPJAPDVBJ-SECBINFHSA-N	361.362	-0.775	70	10	FBIE	
Cn1cc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)c(=O)n(C)c1=O	159406910	LRMNVZKYZZEWKG-UHFFFAOYSA-N	367.431	-0.619	70	10	FBIE	
CCN1C(=O)[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CCN2C1=O	1346928835	HLKRKVWOLFZGBI-SNVBAGLBSA-N	358.351	-0.219	70	10	FBIE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC1CN(S(=O)(=O)F)C1	2248492999	DREQMZVUMRGJFZ-VHSXEESVSA-N	367.399	-0.629	70	10	FBIE	
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2244560620	ZHFDBIQPHNBWJG-RKDXNWHRSA-N	355.388	-0.723	70	10	FBIE	
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC1CN(S(=O)(=O)F)C1	1974060150	ROBLRXHNLNROLF-SECBINFHSA-N	355.388	-0.866	70	10	FBIE	
Cn1nnc(Br)c1C(=O)NCC1CN(S(=O)(=O)F)C1	2108158069	QILHZFZTSKLHDV-UHFFFAOYSA-N	356.177	-0.547	70	10	FBIE	
CC(C)(C)OC(=O)NC[C@H](CO)C(=O)NC1CN(S(=O)(=O)F)C1	2243720776	VHRONOMNFDWIOC-MRVPVSSYSA-N	355.388	-0.866	70	10	FBIE	
Cn1nc(Br)c(C(=O)NC2CCN(S(=O)(=O)F)CC2)n1	1974394606	LVGWWVOHNLSWPK-UHFFFAOYSA-N	370.204	-0.014	70	10	FBIE	
CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCC1CN(S(=O)(=O)F)C1	1985196296	OFAWGMXGVXGKGK-SECBINFHSA-N	355.388	-0.866	70	10	FBIE	
NS(=O)(=O)c1ccc(S(=O)(=O)CCS(=O)(=O)Cl)c(F)c1	112730080	AGVDQHIZUREXGJ-UHFFFAOYSA-N	365.813	-0.185	70	10	FBIE	
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)F)CC1	1974015850	YPQRKJPADMFACG-SNVBAGLBSA-N	369.415	-0.115	70	10	FBIE	
CC(C)(C)OC(=O)NC1CN(C(=O)NC2CN(S(=O)(=O)F)C2)C1	2243727017	GAFBHATUAZMBMK-UHFFFAOYSA-N	352.388	-0.197	70	10	FBIE	
CCN1CCN(C(=O)C[C@@]2(C(=O)N3CCN(CC)CC3)CCNC2)CC1	161260819	SIYTYVVSGCCWLA-IBGZPJMESA-N	365.522	-0.316	70	10	FBIE	
CS(=O)(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1	103129497	ABMSNMILEYPSRK-UHFFFAOYSA-N	361.850	-0.063	70	10	FBIE	
CC(C)N1C[C@H](NC(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)CC1=O	217288657	CLYOUQGJHWYUIH-ZIAGYGMSSA-N	374.507	-0.244	70	10	FBIE	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)F)[C@@H]2CS(=O)(=O)C[C@H]21	1959480163	OACBFPSAESHRFZ-RKDXNWHRSA-N	358.413	-0.081	70	10	FBIE	
CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	161101366	OSFQRLPRKCFYGN-ZIAGYGMSSA-N	363.466	-0.165	70	10	FBIE	
CCn1ncc(N2CCNC[C@H]2C(=O)N(C)C)c(Br)c1=O	159635929	DJUZYAFBPJMPOO-JTQLQIEISA-N	358.240	-0.108	70	10	FBIE	
CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1130801125	GHUMRLQJWVQTQS-NEPJUHHUSA-N	365.404	-0.185	70	10	FBIE	
COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(S(=O)(=O)F)C1	2248488409	XKLPTLPIKDQPKZ-JTQLQIEISA-N	369.415	-0.069	70	10	FBIE	
COc1cc(C(=O)NCCS(=O)(=O)N(C)C)ccc1S(=O)(=O)F	1524587772	QFSSRGQALJOSSS-UHFFFAOYSA-N	368.408	-0.025	70	10	FBIE	
O=C(Cc1ccc(S(=O)(=O)F)cc1)NCc1nnc2n1CCNC2=O	1288370325	KCUYKFKNWNZVNF-UHFFFAOYSA-N	367.362	-0.461	70	10	FBIE	
CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	161101605	OSFQRLPRKCFYGN-KGLIPLIRSA-N	363.466	-0.165	70	10	FBIE	
CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	161307677	SIBURGQYSVWOBG-AWEZNQCLSA-N	363.466	-0.212	70	10	FBIE	
Cn1nc(Br)c(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)n1	2271501688	RXHSONNBVJIAAO-YFKPBYRVSA-N	356.177	-0.404	70	10	FBIE	
OC[C@@H](O)c1cc2n(n1)CCN(c1ncc(F)c(N3CCOCC3)n1)C2	217066393	WFIMUWPIWUDUSJ-CQSZACIVSA-N	364.381	-0.305	70	10	FBIE	
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC(S(=O)(=O)F)C1	1992830199	FSGVLQIEYNAKLA-UHFFFAOYSA-N	353.372	-0.863	70	10	FBIE	
CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(S(=O)(=O)F)C1	2248495769	QVHGDLLGGDXWLW-JTQLQIEISA-N	369.415	-0.069	70	10	FBIE	
CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)NC1CN(S(=O)(=O)F)C1	2248486322	MGGVYQVLLIXEEX-SNVBAGLBSA-N	369.415	-0.333	70	10	FBIE	
CC(C)(C)OC(=O)N(CCO)CC(=O)NCC1CN(S(=O)(=O)F)C1	2010541805	YGUNXTNPRCZNKA-UHFFFAOYSA-N	369.415	-0.522	70	10	FBIE	
CC(C)C(=O)N1CCN(C(=O)c2ccnc(N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21	216752119	LTYVMXMJBNOWRT-QWHCGFSZSA-N	366.443	-0.230	70	10	FBIE	
Cn1ccn2c(CCNC(=O)c3cc(S(=O)(=O)F)c[nH]3)nnc2c1=O	1616590427	UZXBSFURGQAZRS-UHFFFAOYSA-N	368.350	-0.613	70	10	FBIE	
COCCC(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1O	1289004282	YSCIOZMBGDFBNN-GHMZBOCLSA-N	363.367	-0.989	70	10	FBIE	
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NC1CN(S(=O)(=O)F)C1	2248487066	QUOJIALLSIIGPE-JTQLQIEISA-N	367.399	-0.363	70	10	FBIE	
C[C@H](COCC(=O)NC1CN(S(=O)(=O)F)C1)NC(=O)OC(C)(C)C	2248494822	CLSQGIATPJWXJW-SECBINFHSA-N	369.415	-0.069	70	10	FBIE	
CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)NC1CN(S(=O)(=O)F)C1	2243720777	VHRONOMNFDWIOC-QMMMGPOBSA-N	355.388	-0.866	70	10	FBIE	
COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1ccc(S(=O)(=O)F)cc1	1134761512	YWYZJMDPWDNSOH-LLVKDONJSA-N	358.347	-0.199	70	10	FBIE	
CNC(=O)CN[C@@H]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1264478543	GFHVHHHMTUHFQC-VHSXEESVSA-N	360.411	-0.093	70	10	FBIE	
O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O)c1cc(S(=O)(=O)F)c[nH]1	1471420808	DLWAFHGWNJASBU-KYXWUPHJSA-N	355.303	-0.744	70	10	FBIE	
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCN(S(=O)(=O)F)CC1	1974001011	LDZFVOQRNINQTJ-SECBINFHSA-N	355.388	-0.770	70	10	FBIE	
CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)NC1CN(S(=O)(=O)F)C1	2248486321	MGGVYQVLLIXEEX-JTQLQIEISA-N	369.415	-0.333	70	10	FBIE	
CC(=O)O[C@@H]1[C@@H](Br)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21	136690581	HEXFXOZQSQVMCO-MCOZSMFQSA-N	372.179	-0.007	70	10	FBIE	in-vitro
CC(C)N1C[C@H](NC(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)CC1=O	217288661	CLYOUQGJHWYUIH-KGLIPLIRSA-N	374.507	-0.244	70	10	FBIE	
Cn1nc(Br)c(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)n1	2271501687	RXHSONNBVJIAAO-RXMQYKEDSA-N	356.177	-0.404	70	10	FBIE	
CN[C@H]1CCCN(C(=O)[C@@]2(CC(=O)N3CCC[C@@H](NC)C3)CCNC2)C1	161159193	QGSVKVDBYGFIGF-JTDSTZFVSA-N	365.522	-0.223	70	10	FBIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)[nH]1	2010538010	AHYGJCMZFPTCJR-SSDOTTSWSA-N	366.371	-0.676	70	10	FBIE	
O=C(Cn1cnc2ccccc2c1=O)NC[C@H](O)Cn1ccccc1=O	218398824	ADXRPPBQTPOZGW-ZDUSSCGKSA-N	354.366	-0.265	70	10	FBIE	
C#CCCCC(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1O	1719267883	FTWUOFCIEYLNLO-OLZOCXBDSA-N	371.390	-0.222	70	10	FBIE	
Cn1nc(Br)nc1S(=O)(=O)CCS(=O)(=O)Cl	1981639766	ATXDGIKZUHWJSB-UHFFFAOYSA-N	352.619	-0.080	70	10	FBIE	
CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(S(=O)(=O)F)C1	2248493934	QVHGDLLGGDXWLW-SNVBAGLBSA-N	369.415	-0.069	70	10	FBIE	
CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2250021654	PUQPTWVNPSSTBK-NXEZZACHSA-N	369.415	-0.333	70	10	FBIE	
O=c1cc(CN2CCn3nc([C@@H](O)CO)cc3C2)nc2c(O)cccn12	217625966	MSWYGFKMVGBFQI-HNNXBMFYSA-N	357.370	-0.362	70	10	FBIE	
Cn1nc(C(=O)N(CCN2CCOCC2)C2CCOCC2)ccc1=O	217284869	ODWISTZOYYWHBE-UHFFFAOYSA-N	350.419	-0.266	70	10	FBIE	
CS(=O)(=O)CC1(NC(=O)c2cccc(S(=O)(=O)F)c2)COC1	1278760044	LYVFNFCYSRSMLE-UHFFFAOYSA-N	351.377	-0.112	70	10	FBIE	
Cn1nnc(Br)c1S(=O)(=O)N1CC(S(=O)(=O)F)C1	2078996333	DVJZPMOGHXLDLQ-UHFFFAOYSA-N	363.190	-0.750	70	10	FBIE	
C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2250019867	WTRZAQLOCBNDSF-OPRDCNLKSA-N	369.415	-0.335	70	10	FBIE	
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Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)C2CC3(C2)OCCO3)n1	2277958354	DTIUYLBQTZBOQL-UHFFFAOYSA-N	355.369	-0.275	70	10	FBIE	
CC(C)(C)OC(=O)N(CCO)CCC(=O)NC1CN(S(=O)(=O)F)C1	2303176670	CRDKDZDTNDINGM-UHFFFAOYSA-N	369.415	-0.379	70	10	FBIE	
CS(=O)(=O)CCS(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1O	160329907	ZYPTVSZAFGQFOD-UHFFFAOYSA-N	357.431	-0.418	70	10	FBIE	
O=C(CN1C(=O)c2ccccc2C1=O)NC[C@@H](O)Cn1ccccc1=O	218427304	CIGLMGGYSKQDFP-GFCCVEGCSA-N	355.350	-0.378	70	10	FBIE	
Cc1cn([C@@H]2C[C@@H](I)[C@H](CO)O2)c(=O)[nH]c1=O	34300110	RHYWJBFVIQZQQA-CSMHCCOUSA-N	352.128	-0.072	70	10	FBIE	
COC(=O)Cn1ncc(NC[C@@H]2CNCCO2)c(Br)c1=O	159978824	NGTCRWZEXWLBNZ-QMMMGPOBSA-N	361.196	-0.421	70	10	FBIE	
C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2250019865	WTRZAQLOCBNDSF-KXUCPTDWSA-N	369.415	-0.335	70	10	FBIE	
O=C1CCC(=O)N1CC(=O)N(CCN1CCOCC1)C1CCOCC1	217285208	FVZCYZQUHYTWGI-UHFFFAOYSA-N	353.419	-0.525	70	10	FBIE	
COc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1S(=O)(=O)F	1543095873	CDWRCHOCPVFIJI-MRVPVSSYSA-N	359.335	-0.607	70	10	FBIE	
C[C@@H](COCC(=O)NC1CN(S(=O)(=O)F)C1)NC(=O)OC(C)(C)C	2248494823	CLSQGIATPJWXJW-VIFPVBQESA-N	369.415	-0.069	70	10	FBIE	
Cn1nnc(Br)c1S(=O)(=O)NCCS(=O)(=O)Cl	236090280	DZEWZOOVIANSKT-UHFFFAOYSA-N	367.634	-0.576	70	10	FBIE	
Cn1nc(Br)c(C(=O)NCC2CN(S(=O)(=O)F)C2)n1	1974054764	IJVAVUHLMUBQAO-UHFFFAOYSA-N	356.177	-0.547	70	10	FBIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC2(CC1)C[C@@H](O)CNC2=O	1643240739	AJTFVRROKLPTDL-SECBINFHSA-N	359.379	-0.224	70	10	FBIE	
O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)[C@@H]1COCCO1	274591968	IBWACEGDMVOTIN-JTQLQIEISA-N	368.364	-0.930	70	10	FBIE	
CC(C)(C)OC(=O)NC1(C(=O)N2CC(S(=O)(=O)F)C2)CC(O)C1	1992831460	NKSVCPXUCAHHCY-UHFFFAOYSA-N	352.384	-0.085	70	10	FBIE	
O=C(Cn1cc(Br)ccc1=O)NC1CN(S(=O)(=O)F)C1	2284152318	WJLQNPRAXKCDIJ-UHFFFAOYSA-N	368.184	-0.375	70	10	FBIE	
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC1CN(S(=O)(=O)F)C1	2243719883	IVSLBHYNNNSQOT-VIFPVBQESA-N	355.388	-0.723	70	10	FBIE	
CS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)CC1	115782598	AHIBEDGFELAEDH-UHFFFAOYSA-N	355.825	-0.340	70	10	FBIE	
N[C@H]1c2ccccc2C2(CCN(C(=O)CCCS(N)(=O)=O)CC2)[C@@H]1O	216971626	AOPHOXAWUMIICA-JKSUJKDBSA-N	367.471	-0.010	70	10	FBIE	
CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1131778153	COKDIDXAUNHWAD-QMMMGPOBSA-N	369.396	-0.937	70	10	FBIE	
CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)F)CC1	2010544571	OUUGZNVRYGMUOF-SNVBAGLBSA-N	369.415	-0.115	70	10	FBIE	
O=c1ccn2c(n1)O[C@H]1[C@H](CO)O[C@@H]2[C@@H]1OS(=O)(=O)C(F)(F)F	195792365	JIIPELKGBDSQKK-ZAKLUEHWSA-N	358.250	-0.871	70	10	FBIE	
O=c1ccccn1C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)OCCO2	218463758	BNZHORRPMMYUKX-GFCCVEGCSA-N	366.395	-0.041	70	10	FBIE	
CN(CCNC(=O)OC(C)(C)C)CC(=O)N1CC(S(=O)(=O)F)C1	1992831442	NHFANASVQMJSNS-UHFFFAOYSA-N	353.416	-0.047	70	10	FBIE	
CC(C)=CC(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1O	1683347991	FYDNXINEKOOFEL-NEPJUHHUSA-N	359.379	-0.059	70	10	FBIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[nH]1	2010541561	VVWHYPBCNBOXJR-SSDOTTSWSA-N	366.371	-0.676	70	10	FBIE	
CC(C)C#CC(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1O	1489335043	IZVQZXAHIOXCEE-CHWSQXEVSA-N	371.390	-0.366	70	10	FBIE	
O=C(CN1CCS(=O)(=O)CC1)Nc1ncc(S(=O)(=O)F)s1	1596004065	AAYTYQFKVUMCRD-UHFFFAOYSA-N	357.410	-0.530	70	10	FBIE	
CC(C)(C)OC(=O)N(CCO)CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2250020989	IQCZLICBGWXVFN-SNVBAGLBSA-N	369.415	-0.379	70	10	FBIE	
CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCN(S(=O)(=O)F)CC1	2012337920	LLKZTLSAPGDWMT-SNVBAGLBSA-N	369.415	-0.379	70	10	FBIE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC(S(=O)(=O)F)C1	1992832427	UIBXOHBWWJGUPA-SCZZXKLOSA-N	352.384	-0.133	70	10	FBIE	
CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CC(S(=O)(=O)F)C1	2022198396	QCCLMODYMKDMMO-VIFPVBQESA-N	365.383	-0.768	70	10	FBIE	
CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2244559799	QGUWJDFNLBXTOV-DTWKUNHWSA-N	355.388	-0.723	70	10	FBIE	
O=C(Cn1nnc(N2CCOCC2)n1)N[C@@H]1CCN(c2ccccn2)C1	218093797	AETCJNCQIJMKAA-CYBMUJFWSA-N	358.406	-0.700	70	10	FBIE	
O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)[C@H]1CCCO1	295185484	JTEKUZHPWJBKKM-SNVBAGLBSA-N	352.365	-0.167	70	10	FBIE	
CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CC(S(=O)(=O)F)C1	2025608213	MRRZDSGSJPNORF-SECBINFHSA-N	367.399	-0.345	70	10	FBIE	
C[C@@H](O)CNCCNc1cnn(CCN(C)C)c(=O)c1Br	160036936	UZDYIAOXPSYCIG-SNVBAGLBSA-N	362.272	-0.050	70	10	FBIE	
COC(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C(=O)OC	1289741635	FIFUDOQVZLNZEJ-IUCAKERBSA-N	362.335	-0.293	70	10	FBIE	
O=S1(=O)CC[C@@H](NS(=O)(=O)c2cc(CO)oc2Br)C1	217998950	IDZAZPJHCVNIGA-ZCFIWIBFSA-N	374.234	0.000	70	10	FBIE	
CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cncc(Br)c1	160336769	VQAIFEFPOURYSA-SNVBAGLBSA-N	364.221	-0.020	70	10	FBIE	
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2250020996	ISKAOCDASSILAA-NXEZZACHSA-N	369.415	-0.069	70	10	FBIE	
O=C(NC[C@]12COCCN1C(=O)COC2)c1cccc(S(=O)(=O)F)c1	1132364156	CSIQUFJHKBGAJN-OAHLLOKOSA-N	372.374	-0.298	70	10	FBIE	
O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	161067697	YXCXWSYVUBMCLF-AWEZNQCLSA-N	361.450	-0.458	70	10	FBIE	
Nc1nnc(CCC(=O)N2CCn3nc([C@H](O)C4CC4)cc3C2)c(=O)[nH]1	218774512	IEDSOHZSJNKYON-CQSZACIVSA-N	359.390	-0.638	70	10	FBIE	
COC[C@@H](O)CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C	1566103791	YRRXSHXDCQWHRS-SCVCMEIPSA-N	363.411	-0.127	70	10	FBIE	
Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)n[nH]1	161447761	YOPGRGMUMGPQAM-MWLCHTKSSA-N	354.436	-0.134	70	10	FBIE	
CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2250021655	PUQPTWVNPSSTBK-UWVGGRQHSA-N	369.415	-0.333	70	10	FBIE	
CN(NS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1)S(C)(=O)=O	2365320983	NPOKVWFDXGBMMG-UHFFFAOYSA-N	362.838	-0.301	70	10	FBIE	
CC(C)CN1CCC[C@@H]1CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	160292181	DOWLRFVGTUNKEO-GFCCVEGCSA-N	358.464	-0.517	70	10	FBIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCO[C@H](CN2CCOCC2)C1	1528643218	ZHGLVFXDEXZDSF-LLVKDONJSA-N	361.395	-0.154	70	10	FBIE	
CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(S(=O)(=O)F)C1	2022197658	GRSHVGAWYJFNNK-SECBINFHSA-N	368.383	-0.047	70	10	FBIE	
COC(=O)Cn1ncc(N2C[C@@H]3CNC[C@H]3C2)c(Br)c1=O	159732123	VKDNKODJXZFTGK-IUCAKERBSA-N	357.208	-0.166	70	10	FBIE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)NC1CN(S(=O)(=O)F)C1	2248487571	TXGRAEVSTIGQTA-NXEZZACHSA-N	367.399	-0.459	70	10	FBIE	
COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cccc(S(=O)(=O)F)c1	1539386621	NPNJGDBQYLSHIE-LLVKDONJSA-N	358.347	-0.199	70	10	FBIE	
CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NC1CN(S(=O)(=O)F)C1	2243722659	SYJDLCCRKUQPDZ-SECBINFHSA-N	355.388	-0.459	70	10	FBIE	
Cc1[nH]nc(C(=O)NC[C@H]2CCCS2(=O)=O)c1S(=O)(=O)Cl	155511381	RAKIAWIBPAMPSM-SSDOTTSWSA-N	355.825	-0.047	70	10	FBIE	
Cc1cc(C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)n[nH]1	161447993	YOPGRGMUMGPQAM-KOLCDFICSA-N	354.436	-0.134	70	10	FBIE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC(S(=O)(=O)F)C1	1992832425	UIBXOHBWWJGUPA-PSASIEDQSA-N	352.384	-0.133	70	10	FBIE	
CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)NC1CN(S(=O)(=O)F)C1	2248493926	QTWLLLRMSRGXES-SNVBAGLBSA-N	369.415	-0.069	70	10	FBIE	
O=c1[nH]c2cc(S(=O)(=O)NC[C@H](O)Cn3ccccc3=O)ccc2o1	218478865	VQGAGURSMRPBRT-JTQLQIEISA-N	365.367	-0.378	70	10	FBIE	
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2250017331	WTRZAQLOCBNDSF-BBBLOLIVSA-N	369.415	-0.335	70	10	FBIE	
CN(C)S(=O)(=O)CCNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1460682051	RLTSKHZVYQLZHD-UHFFFAOYSA-N	352.409	-0.105	70	10	FBIE	
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC[C@@H](S(=O)(=O)F)C1	2010538791	KGXPFGWBLHQOIS-SECBINFHSA-N	367.399	-0.473	70	10	FBIE	
COC(=O)Cn1ncc(N2C[C@H]3CNC[C@@H]3C2)c(Br)c1=O	159731981	VKDNKODJXZFTGK-RKDXNWHRSA-N	357.208	-0.166	70	10	FBIE	
CC[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1680403777	UDBCDYCZLFOTGU-FXPVBKGRSA-N	361.395	-0.074	70	10	FBIE	
CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)NC1CN(S(=O)(=O)F)C1	2248499355	KWQOPAVZCFBAGR-VIFPVBQESA-N	369.415	-0.335	70	10	FBIE	
COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc(S(=O)(=O)F)cc1	1134761523	YWYZJMDPWDNSOH-NSHDSACASA-N	358.347	-0.199	70	10	FBIE	
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347458829	ZTECVFBCELMESG-JTQLQIEISA-N	360.367	-0.860	70	10	FBIE	
CC(C)CN1CCN(C(=O)CCc2nc(N)n[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21	216974008	YQVRYKDUBPLBPK-NWDGAFQWSA-N	370.479	-0.715	70	10	FBIE	
COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C(=O)OC	1289741637	FIFUDOQVZLNZEJ-RKDXNWHRSA-N	362.335	-0.293	70	10	FBIE	
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2250015168	FEAREORYIXYJFT-UWVGGRQHSA-N	369.415	-0.333	70	10	FBIE	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)F)CC1	1974001677	YPQRKJPADMFACG-JTQLQIEISA-N	369.415	-0.115	70	10	FBIE	
CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCC1CN(S(=O)(=O)F)C1	2018050857	QRSZQEHTOMAQLP-JTQLQIEISA-N	369.415	-0.476	70	10	FBIE	
C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(S(=O)(=O)F)C1	2243718340	MZEJNFSAULUMQN-CBAPKCEASA-N	355.388	-0.725	70	10	FBIE	
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NC2CN(S(=O)(=O)F)C2)C1	2248492010	QHXLQYCXXGYNQF-SNVBAGLBSA-N	367.399	-0.363	70	10	FBIE	
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCC1CN(S(=O)(=O)F)C1	1974054383	CJDDQXPDBJSTJP-SNVBAGLBSA-N	369.415	-0.476	70	10	FBIE	
COC(=O)Cn1cc(CCN2CCCN(Cc3cnn(C)c3)CC2)nn1	159959387	QYIDFADYTUBIGQ-UHFFFAOYSA-N	361.450	-0.065	70	10	FBIE	
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(S(=O)(=O)F)C1	2243721710	JHQMVAYTKAIALH-SECBINFHSA-N	355.388	-0.459	70	10	FBIE	
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NC1CN(S(=O)(=O)F)C1	2248493928	QUOJIALLSIIGPE-JTQLQIEISA-N	367.399	-0.363	70	10	FBIE	
CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(S(=O)(=O)F)C1	1992826171	HWCUAYHHLUSMNQ-JTQLQIEISA-N	353.416	-0.049	70	10	FBIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[nH]1	2010539999	AHYGJCMZFPTCJR-ZETCQYMHSA-N	366.371	-0.676	70	10	FBIE	
O=C(c1ccc(=O)[nH]c1)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218623347	YIKYGGRQJYYPEC-UHFFFAOYSA-N	352.358	-0.292	70	10	FBIE	
CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CC(S(=O)(=O)F)C2)C1	1992832988	XPZKYNAAFHPWAI-UHFFFAOYSA-N	352.384	-0.132	70	10	FBIE	
O=C(NCCCN1C(=O)c2ccccc2C1=O)N1CCN(CCO)CC1	217306133	ANSBMIKIFWNTPY-UHFFFAOYSA-N	360.414	-0.008	70	10	FBIE	
CC(C)(C)OC(=O)N1CC(O)(CC(=O)NC2CN(S(=O)(=O)F)C2)C1	2248492783	BBKCTPJDSGEFIY-UHFFFAOYSA-N	367.399	-0.627	70	10	FBIE	
CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCC1CN(S(=O)(=O)F)C1	1974055221	OFAWGMXGVXGKGK-VIFPVBQESA-N	355.388	-0.866	70	10	FBIE	
CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC(S(=O)(=O)F)C1	1992830510	HROGBDHHYAKQGO-MRVPVSSYSA-N	353.372	-0.735	70	10	FBIE	
CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)NC1CN(S(=O)(=O)F)C1	2248487574	TXGRAEVSTIGQTA-ZJUUUORDSA-N	367.399	-0.459	70	10	FBIE	
CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1437438340	CQUXKLMZALKWGK-UHFFFAOYSA-N	368.412	-0.763	70	10	FBIE	
O=C1NC(=O)C2(CN(c3ccc([N+](=O)[O-])cc3CS(=O)(=O)F)C2)N1	1655948863	UYPHGWRCLLGNNM-UHFFFAOYSA-N	358.307	-0.208	70	10	FBIE	
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC1CN(S(=O)(=O)F)C1	2243721243	BLZQSOMLTXBVTQ-SECBINFHSA-N	355.388	-0.723	70	10	FBIE	
CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)NC1CN(S(=O)(=O)F)C1	2248493731	NUTWYWLIXOEFTB-UHFFFAOYSA-N	363.371	-0.193	70	10	FBIE	
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O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21	1626141117	TYXZHEHEUYIJTO-WDEREUQCSA-N	366.392	-0.299	70	10	FBIE	
Cn1nnc(Br)c1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271494520	ZEBQKELYQDSOLZ-YFKPBYRVSA-N	356.177	-0.404	70	10	FBIE	
Cn1cc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cn1	780388571	FAAADVNEKAGWQK-UHFFFAOYSA-N	362.364	-0.298	70	10	FBIE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2250018522	JQVQWJMSEKEFTA-IVZWLZJFSA-N	369.415	-0.335	70	10	FBIE	
CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2250021657	PUQPTWVNPSSTBK-ZJUUUORDSA-N	369.415	-0.333	70	10	FBIE	
NC(=O)CO[C@H]1CCOC[C@H]1NC1CCN(C(=O)c2ccncc2)CC1	218709086	GALBIYMCUNLGDM-CVEARBPZSA-N	362.430	-0.065	70	10	FBIE	
CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2250014972	CRYMKLNYPVAPAZ-ZJUUUORDSA-N	369.415	-0.476	70	10	FBIE	
CN1CCN(C(=O)c2cncc(N3CCn4nc(CO)cc4C3)n2)CC1	217101300	YAOABCXOGSYSGD-UHFFFAOYSA-N	357.418	-0.427	70	10	FBIE	
C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC(=O)[C@@]12COC[C@@H]1C2	1527016498	OPICINQQRPBKOI-FZNYLWTLSA-N	359.379	-0.056	70	10	FBIE	
CC(C)(C)OC(=O)N1CC(CO)(C(=O)NC2CN(S(=O)(=O)F)C2)C1	2248496159	WNCZBLPAXXXLNZ-UHFFFAOYSA-N	367.399	-0.770	70	10	FBIE	
CN1C[C@H](NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CCC1=O	160061214	IPMCPEMCYIZWSJ-SNVBAGLBSA-N	352.416	-0.224	70	10	FBIE	
CCOCC(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1O	1281636440	MDGWFZCLWDSBLT-GHMZBOCLSA-N	363.367	-0.989	70	10	FBIE	
Cn1nnc(Br)c1C(=O)N1CCN(S(=O)(=O)F)CC1	1974014739	MDQSYUNJFRQSKU-UHFFFAOYSA-N	356.177	-0.450	70	10	FBIE	
CN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)CCS(C)(=O)=O	1471669597	VZRJACYWXALISM-UHFFFAOYSA-N	355.413	-0.621	70	10	FBIE	
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC2CN(S(=O)(=O)F)C2)O1	2243721937	MUALOZXOPPGGEJ-VIFPVBQESA-N	353.372	-0.058	70	10	FBIE	
O=C(NC[C@]12COCCN1C(=O)COC2)c1cc(S(=O)(=O)F)c[nH]1	1535538501	UASTVOTVLLRWMR-CYBMUJFWSA-N	361.351	-0.970	70	10	FBIE	
O=S1(=O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1	166148235	AFRMYAXLBJBQBZ-UHFFFAOYSA-N	357.406	-0.236	70	10	FBIE	
O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)N1CCOCC1	780384844	WJJSGIXRJQORKV-UHFFFAOYSA-N	367.380	-0.420	70	10	FBIE	
COCCCNC(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	275704142	RCZAVAWCADAHJE-UHFFFAOYSA-N	369.396	-0.126	70	10	FBIE	
COC(=O)[C@@H](CC(=O)N1CC(S(=O)(=O)F)C1)NC(=O)OC(C)(C)C	2022197769	HZIIMLGFBDTWPH-SECBINFHSA-N	368.383	-0.047	70	10	FBIE	
O=C(Cn1nnc(N2CCOCC2)n1)N[C@H]1CCN(c2ccccn2)C1	218093705	AETCJNCQIJMKAA-ZDUSSCGKSA-N	358.406	-0.700	70	10	FBIE	
C#CCNC(=O)CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C	1692202899	RONNYYSBKFSTFN-PWSUYJOCSA-N	370.406	-0.385	70	10	FBIE	
COC1(C(=O)NC2CN(S(=O)(=O)F)C2)CN(C(=O)OC(C)(C)C)C1	2248498134	AZZQEOOJLFZKBC-UHFFFAOYSA-N	367.399	-0.363	70	10	FBIE	
NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(Cc3ccccc3)CC2)O1	161180527	QCGFTHYDXUSHSQ-IAGOWNOFSA-N	360.458	-0.047	70	10	FBIE	
C[C@H]1CN(C(=O)[C@@]2(CC(=O)N3C[C@@H](C)N[C@H](C)C3)CCNC2)C[C@@H](C)N1	161160490	XARVAYOMEFDUGE-GMKVZWAMSA-N	365.522	-0.226	70	10	FBIE	
CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(S(=O)(=O)F)C1	2248498109	ATZOCGWUEPBWHV-JTQLQIEISA-N	368.431	-0.544	70	10	FBIE	
COC(OC)[SiH2]CCCN(CCN)CCC[SiH2]C(OC)OC	201100446	YNHCFYKSBQTICL-UHFFFAOYSA-N	352.624	-0.646	70	10	FBIE	
Cc1[nH]nc(C(=O)NC[C@@H]2CCCS2(=O)=O)c1S(=O)(=O)Cl	155511293	RAKIAWIBPAMPSM-ZETCQYMHSA-N	355.825	-0.047	70	10	FBIE	
CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1543312912	KYRUKXQDVZRRSD-QMMMGPOBSA-N	353.397	-0.173	70	10	FBIE	
Cn1nc(Br)cc1S(=O)(=O)N1CC(S(=O)(=O)F)C1	2078988206	FEAOEUVCBDUJJM-UHFFFAOYSA-N	362.202	-0.145	70	10	FBIE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC1CN(S(=O)(=O)F)C1	2248494927	DREQMZVUMRGJFZ-VHSXEESVSA-N	367.399	-0.629	70	10	FBIE	
COC(=O)Cn1ncc(N2C[C@@H]3CNC[C@@H]3C2)c(Br)c1=O	159731836	VKDNKODJXZFTGK-DTORHVGOSA-N	357.208	-0.166	70	10	FBIE	
COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CC(S(=O)(=O)F)C1	1992830246	GBBZTTSDCSNHSN-VIFPVBQESA-N	356.372	-0.032	70	10	FBIE	
CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCN(S(=O)(=O)F)CC1	1974001012	LDZFVOQRNINQTJ-VIFPVBQESA-N	355.388	-0.770	70	10	FBIE	
C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1735782965	RLWWSRSNTHBCFF-CHWSQXEVSA-N	371.390	-0.222	70	10	FBIE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NC1CN(S(=O)(=O)F)C1)C1COC1	2248495810	RHAMPVBDVOYGBL-SNVBAGLBSA-N	367.399	-0.459	70	10	FBIE	
CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CC(S(=O)(=O)F)C2)C1	1992825773	ARODWQBUOARUND-UHFFFAOYSA-N	352.384	-0.085	70	10	FBIE	
O=C(Cc1ccc(S(=O)(=O)F)cc1)NCCCN1C(=O)CNC1=O	1126055484	RDCGSQYOBMJAAS-UHFFFAOYSA-N	357.363	-0.055	70	10	FBIE	
O=C(CNC(=O)c1cccs1)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1527644173	LDFVFQZZLPCUQC-UHFFFAOYSA-N	374.375	-0.075	70	10	FBIE	
CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(S(=O)(=O)F)C1	2022197659	GRSHVGAWYJFNNK-VIFPVBQESA-N	368.383	-0.047	70	10	FBIE	
CS(=O)(=O)NCCNS(=O)(=O)c1cc(C(N)=S)ccc1Cl	160853571	HNKOHYGYLYXTOQ-UHFFFAOYSA-N	371.893	-0.198	70	10	FBIE	
CS(=O)(=O)C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1	1617941612	JZLJBQRGIHMHHQ-QMMMGPOBSA-N	354.381	-0.442	70	10	FBIE	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)F)[C@H]2CS(=O)(=O)C[C@H]21	1959480160	OACBFPSAESHRFZ-BDAKNGLRSA-N	358.413	-0.081	70	10	FBIE	
CC(C)(C)OC(=O)NCCOCCC(=O)NC1CN(S(=O)(=O)F)C1	2248493241	HNVJJVDMNACESJ-UHFFFAOYSA-N	369.415	-0.068	70	10	FBIE	
CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2250014970	CRYMKLNYPVAPAZ-UWVGGRQHSA-N	369.415	-0.476	70	10	FBIE	
COC(=O)[C@H](CC(=O)N1CC(S(=O)(=O)F)C1)NC(=O)OC(C)(C)C	2022197770	HZIIMLGFBDTWPH-VIFPVBQESA-N	368.383	-0.047	70	10	FBIE	
CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NC1CN(S(=O)(=O)F)C1	2243719882	IVSLBHYNNNSQOT-SECBINFHSA-N	355.388	-0.723	70	10	FBIE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC(S(=O)(=O)F)C1	1897396322	UIBXOHBWWJGUPA-WCBMZHEXSA-N	352.384	-0.133	70	10	FBIE	
CC(C)N1C[C@H](C)[C@@H](NC(=O)CCc2nc3c([nH]2)c(=O)[nH]c(=O)n3C)C1	161371216	LKEGJTOZHXQSAE-QWRGUYRKSA-N	362.434	-0.273	70	10	FBIE	
C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCC1CN(S(=O)(=O)F)C1	2010540087	BIMKAHVGRJXALH-SCZZXKLOSA-N	369.415	-0.477	70	10	FBIE	
CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC1CCN(S(=O)(=O)F)CC1	1974402186	KTMIOGZCNDFHFA-JTQLQIEISA-N	369.415	-0.333	70	10	FBIE	
C[C@@H](CNC(=O)[C@@]12COC[C@@H]1C2)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1284256081	JZCDXMQLIYHANE-FZNYLWTLSA-N	359.379	-0.056	70	10	FBIE	
CO[C@@]1(C(=O)Nc2ncc(S(=O)(=O)F)s2)CCS(=O)(=O)C1	1132039170	ORZLFWZUYJSPBI-VIFPVBQESA-N	358.394	-0.057	70	10	FBIE	
O=c1[nH]c2cc(S(=O)(=O)NC[C@@H](O)Cn3ccccc3=O)ccc2o1	218478777	VQGAGURSMRPBRT-SNVBAGLBSA-N	365.367	-0.378	70	10	FBIE	
O=C(NC[C@@]12COCCN1C(=O)COC2)c1cccc(S(=O)(=O)F)c1	1132364154	CSIQUFJHKBGAJN-HNNXBMFYSA-N	372.374	-0.298	70	10	FBIE	
O=S1(=O)CC[C@H](NS(=O)(=O)c2cc(CO)oc2Br)C1	217999035	IDZAZPJHCVNIGA-LURJTMIESA-N	374.234	0.000	70	10	FBIE	
CN(CC(=O)N1CCNCC1)C(F)(F)COS(=O)(=O)C(F)(F)F	852743757	IZKNVOHVMCLZPM-UHFFFAOYSA-N	369.312	-0.191	70	10	FBIE	
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](S(=O)(=O)F)C1	2010539791	XPFUMLOEUCWDFJ-BDAKNGLRSA-N	367.399	-0.345	70	10	FBIE	
CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NC2CN(S(=O)(=O)F)C2)C1	2248495561	NWCJUFUQQDIDEV-ZDUSSCGKSA-N	367.399	-0.627	70	10	FBIE	
COCC(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1OC	1735861565	NBOQUEJOVMIICC-GHMZBOCLSA-N	363.367	-0.725	70	10	FBIE	
C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)F)CC1	2010541466	UOXLHSXUGFCRTL-UWVGGRQHSA-N	369.415	-0.381	70	10	FBIE	
COc1cc(C(=O)NNC(=O)c2cn(C)nn2)ccc1S(=O)(=O)F	1617484766	XRTZCDOYHFBGDG-UHFFFAOYSA-N	357.323	-0.443	70	10	FBIE	
COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1CN(S(=O)(=O)F)C1	2248494921	DMOVCFZIHAQADD-SECBINFHSA-N	371.387	-0.528	70	10	FBIE	
COC(=O)Cn1ncc(N2CCO[C@H](CN)C2)c(Br)c1=O	160066460	OWDFTGMXSQTFAT-MRVPVSSYSA-N	361.196	-0.657	70	10	FBIE	
O=C(Cn1cnc2ccccc2c1=O)NC[C@@H](O)Cn1ccccc1=O	218398895	ADXRPPBQTPOZGW-CYBMUJFWSA-N	354.366	-0.265	70	10	FBIE	
O=c1[nH]c2ccc(S(=O)(=O)N3CCO[C@@H]4CS(=O)(=O)C[C@H]43)cc2[nH]1	216833992	VCZVKGKYQIUSDB-VXGBXAGGSA-N	373.412	-0.957	70	10	FBIE	
CCNC(=O)[C@H]1CNCCN1c1cnn(CC)c(=O)c1Br	159637133	IFRKDMPHJUIWRU-SNVBAGLBSA-N	358.240	-0.060	70	10	FBIE	
C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCN(S(=O)(=O)F)CC1	2010541533	VMJRPDKLBYWYEK-ZJUUUORDSA-N	369.415	-0.381	70	10	FBIE	
O=C1CNc2ccc(C(=O)N3CCn4nc([C@@H](O)CO)cc4C3)cc2N1	217055160	WMSAJVPZSBCQSG-HNNXBMFYSA-N	357.370	-0.071	70	10	FBIE	
COC(=O)Cn1ncc(NCCNC[C@H](C)O)c(Br)c1=O	160035758	KYWBUCSHSPPNSJ-QMMMGPOBSA-N	363.212	-0.439	70	10	FBIE	
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(S(=O)(=O)F)C1	2248496054	VLRURNPITOINOT-SCZZXKLOSA-N	369.415	-0.071	70	10	FBIE	
Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(CC(=O)N1CCOCC1)C2	218041075	RPZWASBOHQXUBI-KRWDZBQOSA-N	360.418	-0.627	70	10	FBIE	
O=C(NC[C@]12COCCN1C(=O)COC2)c1ccc(S(=O)(=O)F)cc1	1535538657	YCQKYNJIKNGLOX-OAHLLOKOSA-N	372.374	-0.298	70	10	FBIE	
CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1O	1573022366	VPBVDMNEOADAOD-IEBDPFPHSA-N	365.358	-0.278	70	10	FBIE	
C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(S(=O)(=O)F)C1	2243721962	MZEJNFSAULUMQN-VXNVDRBHSA-N	355.388	-0.725	70	10	FBIE	
COCCn1ncc(N2CCN(C)C[C@H]2CN)c(Br)c1=O	159817461	QEXWTCZRIVYKJL-SNVBAGLBSA-N	360.256	-0.269	70	10	FBIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[nH]1	2010545452	VVWHYPBCNBOXJR-ZETCQYMHSA-N	366.371	-0.676	70	10	FBIE	
COc1ccc(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)nn1	218643284	VMMJICCNJUYGQD-UHFFFAOYSA-N	367.373	-0.182	70	10	FBIE	
CCCn1ncc(N2CCNC[C@H]2C(=O)NC)c(Br)c1=O	159634115	ZUQOWTPUZHCTEL-JTQLQIEISA-N	358.240	-0.060	70	10	FBIE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NC1CN(S(=O)(=O)F)C1	2248496267	YGLABYHFXCWXIB-ZJUUUORDSA-N	367.399	-0.317	70	10	FBIE	
COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CC(S(=O)(=O)F)C1	1992830241	GBBZTTSDCSNHSN-SECBINFHSA-N	356.372	-0.032	70	10	FBIE	
CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2CC(S(=O)(=O)F)C2)C1	2022195185	ROGCPQVXNJNASH-VIFPVBQESA-N	370.374	-0.184	70	10	FBIE	
O=C1CS(=O)(=O)C[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)N1	1540039122	ZKESKIQDYUFMEH-QMMMGPOBSA-N	368.339	-0.664	70	10	FBIE	
CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2250020557	FEAREORYIXYJFT-NXEZZACHSA-N	369.415	-0.333	70	10	FBIE	
CCN(CCc1nccs1)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O	159406728	QIZFUDZTGDIHAT-UHFFFAOYSA-N	351.432	-0.130	70	10	FBIE	
CC(C)(C)OC(=O)NC1CC(O)(C(=O)NC2CN(S(=O)(=O)F)C2)C1	2248495088	GZLJYOICIJSJDT-UHFFFAOYSA-N	367.399	-0.581	70	10	FBIE	
COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(S(=O)(=O)F)C1	2248488410	XKLPTLPIKDQPKZ-SNVBAGLBSA-N	369.415	-0.069	70	10	FBIE	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NC1CN(S(=O)(=O)F)C1	2243723301	ZCYUSJGCEVVZFL-VXNVDRBHSA-N	355.388	-0.725	70	10	FBIE	
CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CC(CS(=O)(=O)F)C2)C1	2022194274	FJOADTLYIMSHIQ-UHFFFAOYSA-N	366.411	-0.027	70	10	FBIE	
CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1456966524	BCYXSVCCTIFCKI-KCJUWKMLSA-N	363.367	-0.148	70	10	FBIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21	1626141116	TYXZHEHEUYIJTO-QWRGUYRKSA-N	366.392	-0.299	70	10	FBIE	
Cn1nccc1[C@H](O)c1cc2n(n1)CCN(CC(=O)N1CCOCC1)C2	218041153	RPZWASBOHQXUBI-QGZVFWFLSA-N	360.418	-0.627	70	10	FBIE	
CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2250020734	GKOFCYJOKAUDME-UWVGGRQHSA-N	369.415	-0.333	70	10	FBIE	
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C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1S(C)(=O)=O	1263854843	RDNUUSKHTYZYSC-MRVPVSSYSA-N	353.397	-0.221	70	10	FBIE	
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NC(=O)N1CCN2C(=O)N(Cc3ccc(S(=O)(=O)F)cc3)C(=O)[C@H]2C1	857221708	MMMBQBWMPZAETP-LLVKDONJSA-N	370.362	-0.128	70	10	FBIE	
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