smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)(C)NC(=O)CNS(=O)(=O)c1cccc(F)c1CN	159870153	KLINCEXQIFUKKQ-UHFFFAOYSA-N	317.386	0.477	70	10	DCIE	
CC[C@H](C)N(C)CCNS(=O)(=O)c1cn(CC)nc1N	218336448	HLWGQFCEOBAWOD-JTQLQIEISA-N	303.432	0.494	70	10	DCIE	
O=C(NC[C@H](O)Cn1ccccc1=O)c1ccc2nc[nH]c2c1	218396164	WTWGEHMEZUXKIK-LBPRGKRZSA-N	312.329	0.516	70	10	DCIE	
CO[C@H](CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl)C1CC1	378850503	VNPVJWQRDZXNCX-MRVPVSSYSA-N	321.786	0.800	70	10	DCIE	
CO[C@H]1COCC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	380655375	RMSARFODKGPDHH-SCZZXKLOSA-N	322.770	0.476	70	10	DCIE	
C#CCNC[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1568193661	IKPFHDMYALUYER-VIFPVBQESA-N	301.343	0.262	70	10	DCIE	
CC(C)(C)OC(=O)N1CC(N([C@@H]2CCOC2)S(=O)(=O)F)C1	1955897231	BRWORPNPURMYIZ-SECBINFHSA-N	324.374	0.911	70	10	DCIE	
CC1(C)CO[C@@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)C1	1974394064	CCGHOMXAVDDXAU-SNVBAGLBSA-N	308.375	0.596	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@H]1COC[C@H]1OC	2125954357	SZNBJPLEGMDDTM-JGVFFNPUSA-N	310.759	0.543	70	10	DCIE	
COc1ccncc1S(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2144733152	MYJBLWKCMOCRMX-QMMMGPOBSA-N	324.355	0.153	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)[C@@H]2CS(=O)(=O)C2(C)C)n1	2172768435	JADLZUIWVJREFQ-SECBINFHSA-N	322.141	0.851	70	10	DCIE	
Cc1ncnc(N2CCC[C@H](S(C)(=O)=O)C2)c1[B-](F)(F)F	2172769903	DGHVVVBELICHEA-VIFPVBQESA-N	322.141	0.853	70	10	DCIE	
O=C(NCCN1CC[C@H]2C[C@@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2290287259	WQBAWDMHWYAHRG-KWQFWETISA-N	317.798	0.766	70	10	DCIE	
O=C(N[C@@H]1C[C@@H]2CO[C@H]1C2)c1cc(S(=O)(=O)Cl)c[nH]1	2334546422	PBQKAKWOSXJFPM-IONOHQLYSA-N	304.755	0.849	70	10	DCIE	
O=C(C[C@H]1CCC1(F)F)N[C@@H]1CCN(S(=O)(=O)F)C1	2335411998	YIHPCAGEAXZKKE-HTQZYQBOSA-N	300.302	0.827	70	10	DCIE	
CS(=O)(=O)[C@H]1CCC[C@]12CC(=O)N2S(=O)(=O)Cl	114486253	YNSAIYAPVIFJFW-XPUUQOCRSA-N	301.773	0.038	70	10	DCIE	
O=C(NC[C@@H](O)Cn1ccccc1=O)c1ccc2c(c1)OCO2	218408055	SYEFPAMGTHAHRH-GFCCVEGCSA-N	316.313	0.368	70	10	DCIE	
CS(=O)(=O)N1CCc2onc(CS(=O)(=O)Cl)c2C1	725252391	IZXRWFHKVZADIT-UHFFFAOYSA-N	314.772	0.061	70	10	DCIE	
O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NC1(CO)CC1	160287327	QIEDGUZUQACCOG-UHFFFAOYSA-N	323.414	0.980	70	10	DCIE	
CS(=O)(=O)CS(=O)(=O)N[C@@H]1CCCc2cc(N)ccc21	159459654	FVIGEPNCIAHEGX-GFCCVEGCSA-N	318.420	0.568	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cccc(N)c2C)CCOC1	159910837	VBUKGLKRHQCOQL-ZDUSSCGKSA-N	300.380	0.661	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@]23CC3(F)F)[nH]1	2172026681	QCZQUAGWGKBVSF-CDUCUWFYSA-N	309.269	0.484	70	10	DCIE	
COC1CC2(C1)CC(C(=O)NC1CN(S(=O)(=O)F)C1)C2	2284150647	LJBNXVFOMHLCHX-UHFFFAOYSA-N	306.359	0.206	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccn(C2CCC2)n1	2284149678	FKLKUTXIKIRMMJ-UHFFFAOYSA-N	302.331	0.236	70	10	DCIE	
C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	157068880	KLFOTQRDHGXMKH-IONNQARKSA-N	306.771	0.860	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C)c1F	159471551	NGGWQXYNEHEMPW-QMMMGPOBSA-N	303.359	0.471	70	10	DCIE	
C[C@@H](Cn1cncn1)NC(=O)c1cccc2c1oc(=O)n2C	159982049	GGTDARQCVNIDKE-VIFPVBQESA-N	301.306	0.542	70	10	DCIE	
CS(=O)(=O)N1CCN(C(=O)CC[C@@H]2CCC[C@@H](N)C2)CC1	161022426	BMTDWBXIBKNFRY-QWHCGFSZSA-N	317.455	0.388	70	10	DCIE	
Cc1nn([C@@H](C)C(=O)NC(N)=O)c(C)c1S(=O)(=O)Cl	215814963	ZCRLPRLRTGMXAC-LURJTMIESA-N	308.747	0.183	70	10	DCIE	
CCCn1c(-c2ccn(C)c(=O)c2)nnc1S(=O)(=O)Cl	233413318	HRVGTVFWEXQMMW-UHFFFAOYSA-N	316.770	0.981	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)[nH]1	1923172948	CJCREYLNPKVCLB-XHNCKOQMSA-N	301.343	0.875	70	10	DCIE	
O=C(NC[C@H]1CN(S(=O)(=O)F)CC12CCC2)C(F)(F)F	1957156896	CACLFSAAQDDUAJ-ZETCQYMHSA-N	318.292	0.981	70	10	DCIE	
C[C@@H]1C[C@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)CCO1	1974394660	MYEWSBSJRUBBKD-NXEZZACHSA-N	308.375	0.596	70	10	DCIE	
CN(C[C@@H]1CCCS1(=O)=O)c1ncncc1[B-](F)(F)F	2116139129	VJGUEBKOGGZHRY-QMMMGPOBSA-N	308.114	0.544	70	10	DCIE	
C[C@H]1CCC[C@@H]1S(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2118899124	WVCAFVJOXOZYQY-UWVGGRQHSA-N	314.404	0.337	70	10	DCIE	
CCCc1nnsc1C(=O)N1CC(CS(=O)(=O)F)C1	2134974085	ZXYLYXSNYWNAGV-UHFFFAOYSA-N	307.372	0.862	70	10	DCIE	
NC(=O)c1ccc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)cc1	2144733192	NJKNCCRNCZGRFA-SNVBAGLBSA-N	300.311	0.299	70	10	DCIE	
CCCc1ocnc1C(=O)NCC1CN(S(=O)(=O)F)C1	2164436947	SAPJBRMPOWTXKN-UHFFFAOYSA-N	305.331	0.503	70	10	DCIE	
COC[C@@](C)(CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1)OC	2198215027	GMFGFMRZVQCEHG-LLVKDONJSA-N	324.786	0.724	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@H]2[C@H](C1)C2(F)F	2284149538	BLHDBFLVNABLNJ-YEPSODPASA-N	312.313	0.683	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@]12CCCC[C@@H]1OCC2	2284150991	NWUXECKFPHINKU-CMPLNLGQSA-N	306.359	0.350	70	10	DCIE	
CN1CC(COC(=O)c2cc(S(=O)(=O)Cl)cn2C)C1	2335381759	AKSONFMMLVIUNU-UHFFFAOYSA-N	306.771	0.671	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)CCOCCF)C1	2340024890	MNNZKRZSVCCZIP-SECBINFHSA-N	321.367	0.066	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)[nH]1	2359309742	CJCREYLNPKVCLB-VGMNWLOBSA-N	301.343	0.875	70	10	DCIE	
C[C@@H](c1ccccc1)N1C[C@@H](NC(=O)N(C)CCO)CC1=O	217284243	BMMYOSZSTSBGPZ-JSGCOSHPSA-N	305.378	0.982	70	10	DCIE	
C[C@H](NC(=O)NCCN1CCOCC1)Oc1ccc(O)cc1	217277669	AYZRLBZCOIKXBL-GFCCVEGCSA-N	309.366	0.748	70	10	DCIE	
CCCNC(=O)CCNS(=O)(=O)c1cc(N)cc(C)c1F	159508559	PNSOXRWMHVNHRJ-UHFFFAOYSA-N	317.386	0.911	70	10	DCIE	
Cn1cc(C=CC(=O)N2CCC[C@@H](S(=O)(=O)F)C2)cn1	1968236220	UGHSMJOBBYKVNY-LLVKDONJSA-N	301.343	0.724	70	10	DCIE	
O=C(CC[C@H]1CCCCO1)NCC1CN(S(=O)(=O)F)C1	1974054789	IREWTXUGLYHXPS-LLVKDONJSA-N	308.375	0.598	70	10	DCIE	
CN1CCC(C(=O)NC2CCN(S(=O)(=O)F)CC2)CC1	1974402401	NCFQBTLZVBSEPP-UHFFFAOYSA-N	307.391	0.123	70	10	DCIE	
Cc1ncnc(N2CC(N(C)C3COC3)C2)c1[B-](F)(F)F	2173113404	JEBOKTQOAHSWBT-UHFFFAOYSA-N	301.101	0.359	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)[C@H]2CCC[C@@H]2F)C1	2079000278	CXTCJSGRZFJCNP-IUCAKERBSA-N	303.352	0.438	70	10	DCIE	
O=S1(=O)CC[C@H](COc2cc(F)ccc2[B-](F)(F)F)N1	2089980558	VHMUFVFWXMGBKS-MRVPVSSYSA-N	312.073	0.951	70	10	DCIE	
COc1cc(C)ccc1C(=O)NC1CN(S(=O)(=O)F)C1	2284153883	SEBMKARFNQEMHA-UHFFFAOYSA-N	302.327	0.632	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	2287074671	IKIYSTCDKJKDDR-HHKYUTTNSA-N	302.371	0.683	70	10	DCIE	
O=S(=O)(Cl)CCOCCOC1CC(n2cncn2)C1	2127414345	BIJFUMADDPAVTN-UHFFFAOYSA-N	309.775	0.583	70	10	DCIE	
O=C(NNc1ncccc1F)c1cc(S(=O)(=O)F)c[nH]1	1623772726	NEIBIVIYVYKYLC-UHFFFAOYSA-N	302.262	0.964	70	10	DCIE	
Cc1cc(C[C@H](C)NC(=O)c2ccc(OCC(N)=O)cc2)n[nH]1	161121051	YJPAOHDNQVHGTR-JTQLQIEISA-N	316.361	0.943	70	10	DCIE	
CCN[C@@H](CCN1CCS(=O)(=O)CC1)c1ccc(F)cn1	161237757	OYWPKBMSCZDQLW-AWEZNQCLSA-N	315.414	0.992	70	10	DCIE	
NC(=O)Nc1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1	160278664	GBFSQSQXWDDZJH-AWEZNQCLSA-N	320.393	0.754	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1C(=O)[C@@](C)(N)C(F)(F)F	159684256	QMIGUHUGRRGVJA-LDYMZIIASA-N	311.304	0.018	70	10	DCIE	
COc1nn(C[C@@H]2CCCN2C)c(OC)c1S(=O)(=O)Cl	2149822236	JTBSICVZSNOEOC-QMMMGPOBSA-N	323.802	0.922	70	10	DCIE	
Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)C)cc1N	160686937	NLLZDKXWBVHCRK-UHFFFAOYSA-N	300.384	0.127	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)C[C@@H]1CCCS1(=O)=O	694434372	XECGAYVOJHPUMK-JTQLQIEISA-N	317.860	0.844	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1cc(Cl)ncn1	2169029262	ZOWXCUZBTIHXRG-UHFFFAOYSA-N	322.749	0.539	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@]12CCOC[C@@H]1C2	2194419652	HFHUTLFZRNNNQR-UFBFGSQYSA-N	318.782	0.861	70	10	DCIE	
CO[C@@H]1CC[C@@H]1CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2186930756	YCUPFTGHCLZUPL-HTQZYQBOSA-N	321.786	0.800	70	10	DCIE	
CN1[C@H](COc2cncc([B-](F)(F)F)c2)CCS1(=O)=O	2088671687	TXJZABDXTFLBRU-VIFPVBQESA-N	309.098	0.549	70	10	DCIE	
Cc1cc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)nc(C)n1	2287070938	WBQKBEVDESCPLE-SECBINFHSA-N	302.331	0.112	70	10	DCIE	
O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CCN(S(=O)(=O)F)CC1	2354629435	JNKITDPKYRCGHZ-OUAUKWLOSA-N	306.359	0.160	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2C[C@@H]2OC)c1S(=O)(=O)Cl	2131644066	GOEATPPYFAESNX-RQJHMYQMSA-N	307.759	0.417	70	10	DCIE	
Cc1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCCCC2)cn1	160040418	DCORNQHLNDOZRD-CQSZACIVSA-N	320.393	0.292	70	10	DCIE	
O=C(NC1CC1)[C@@H]1COCCN1S(=O)(=O)c1ccccc1	160518939	LTCINHDSVRQQHS-ZDUSSCGKSA-N	310.375	0.355	70	10	DCIE	
Cc1ccc(C(=O)N2CCN(S(=O)(=O)F)CC2)nc1C	1974001588	WTQDHHVVZQOSJL-UHFFFAOYSA-N	301.343	0.671	70	10	DCIE	
O=C1NCCN(c2cccc(CS(=O)(=O)Cl)c2)C1=O	258817423	ORZMEBQRGIAUPY-UHFFFAOYSA-N	302.739	0.218	70	10	DCIE	
Cc1c(C(F)(F)F)cccc1S(=O)(=O)NC(CO)CO	160912127	RXHCFSPWXSMTHA-UHFFFAOYSA-N	313.297	0.645	70	10	DCIE	
CO[C@@]1(C)C[C@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	694419689	SQGYBCIUNPAUIY-LDWIPMOCSA-N	307.759	0.553	70	10	DCIE	
CCO[C@@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C1	2174880159	IQGODSZFFZVLQF-GHMZBOCLSA-N	308.375	0.550	70	10	DCIE	
CN(C[C@]12CCC[C@H]1CS(=O)(=O)C2)S(=O)(=O)Cl	1911074990	KJMVPMXEZDRLJT-IUCAKERBSA-N	301.817	0.617	70	10	DCIE	
COc1nn([C@@H](C)CN(C)C)c(OC)c1S(=O)(=O)Cl	2093411662	MUBZOBUZTREAHH-ZETCQYMHSA-N	311.791	0.950	70	10	DCIE	
CN(Cc1nn(C)nc1Br)S(=O)(=O)Cl	2209641516	AGEJDVMEYNYVFH-UHFFFAOYSA-N	303.569	0.493	70	10	DCIE	
O=S(=O)(N[C@H]1CCN(S(=O)(=O)F)C1)C1CC2(CC2)C1	2271515298	IRZMYSTWWUPRET-QMMMGPOBSA-N	312.388	0.137	70	10	DCIE	
C[C@](F)(C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)C(F)(F)F	2271493350	DPADDTWGXQBYJT-FSPLSTOPSA-N	310.244	0.682	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@@H]1CCCO1	115016337	TVSXTVAEXBLIEE-QMMMGPOBSA-N	306.771	0.861	70	10	DCIE	
CO[C@H]1CN[C@H](C(=O)Nc2cc(S(C)(=O)=O)ccc2O)C1	160312095	JOUIUIAPRGAYEC-KCJUWKMLSA-N	314.363	0.111	70	10	DCIE	
O=c1ccc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c[nH]1	160877781	MSRIRYYRCGBGHQ-BXUZGUMPSA-N	312.391	0.691	70	10	DCIE	
CCNC(=O)[C@@H](C)n1nc([N+](=O)[O-])c(S(=O)(=O)Cl)c1C	394440729	XOSJSVAPIKNSMM-ZCFIWIBFSA-N	324.746	0.724	70	10	DCIE	
CC[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCCO	1269471914	QAPTZDARNQXWAE-VIFPVBQESA-N	321.374	0.153	70	10	DCIE	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)F)[C@H]2COC[C@H]21	1882935841	RQPIFLODYUOIGT-BDAKNGLRSA-N	310.347	0.521	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@H]2CCN(C)C2)c1S(=O)(=O)Cl	1893429779	BERKLFLZDILJTQ-ZETCQYMHSA-N	307.759	0.507	70	10	DCIE	
N#Cc1ccccc1S(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2144732864	KCBYEXAMJVWIRV-JTQLQIEISA-N	318.351	0.621	70	10	DCIE	
COCCN(c1ncc([B-](F)(F)F)c(OC)n1)C1COC1	2193693626	DJPOLRUEKNQEJC-UHFFFAOYSA-N	306.073	0.391	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nccn1C(F)F	2246898823	BRBPWAGVPBLVBG-UHFFFAOYSA-N	308.715	0.621	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccc(O)c(O)c1	2287077058	VIVLWSVIHPOSMB-QMMMGPOBSA-N	304.299	0.116	70	10	DCIE	
Cc1nc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)ncc1[B-](F)(F)F	2336509581	VGOJXIHZOFXQSS-IONNQARKSA-N	306.098	0.073	70	10	DCIE	
COCc1nc(N[C@H](C(N)=O)C(C)C)cc(C2CC(N)C2)n1	218421481	SAPDHXDWTUFJEZ-FDZGAKKTSA-N	307.398	0.750	70	10	DCIE	
O=C(NC[C@@H](O)Cn1ccccc1=O)c1ccc2nccnc2c1	218439854	MLGMYANKNRILJG-CYBMUJFWSA-N	324.340	0.582	70	10	DCIE	
O=C(NNc1ncc(Cl)cn1)c1cc(S(=O)(=O)F)c[nH]1	1167670319	BCRLSWCNWJIUJB-UHFFFAOYSA-N	319.705	0.873	70	10	DCIE	
C[C@@H](Br)CC(=O)N1CCN(S(=O)(=O)F)CC1	1901502250	XOHVTMQWRWIKMB-SSDOTTSWSA-N	317.180	0.518	70	10	DCIE	
O=[N+]([O-])c1nn(CCc2cccnn2)cc1S(=O)(=O)Cl	2146347157	ROWNLMHAGVFVJG-UHFFFAOYSA-N	317.714	0.752	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)[C@@H](CC)C(N)=S	159777850	PNSDHGRTBYZKKN-UWVGGRQHSA-N	301.412	0.052	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1nnc(Cl)s1	2258975461	IAHOKCAGZUWFLE-SCSAIBSYSA-N	314.751	0.210	70	10	DCIE	
CCc1nc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cs1	2271497261	GFWZYFDAYUXPTF-ZETCQYMHSA-N	307.372	0.724	70	10	DCIE	
CC[C@H](Oc1ccc(C(=O)O)cc1S(=O)(=O)Cl)C(N)=O	215649381	JODBQKARKFUWMJ-ZETCQYMHSA-N	321.738	0.955	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C(F)(F)CC2CC2)[nH]1	1923175062	DKPHNOAQUDMHQF-UHFFFAOYSA-N	311.285	0.874	70	10	DCIE	
Cc1ncsc1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923167620	POCWXQLLCRNBGR-UHFFFAOYSA-N	304.328	0.517	70	10	DCIE	
CCn1cnnc1[C@@H]1CCCN(CC(=O)NCCC(=O)OC)C1	161289994	CVHOMWWOPJLDMR-GFCCVEGCSA-N	323.397	0.157	70	10	DCIE	
Cc1c(C(=O)N2CCO[C@H](C)[C@@H]2C)cccc1S(N)(=O)=O	160038262	DQTWIXIWGDWSGM-WDEREUQCSA-N	312.391	0.892	70	10	DCIE	
COC1(CC(=O)NCC2CN(S(=O)(=O)F)C2)CCCC1	1974055365	QADACJSXEINKDT-UHFFFAOYSA-N	308.375	0.598	70	10	DCIE	
Nc1csc(S(=O)(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)c1	160066067	GSKKFPNHQULSEX-PSASIEDQSA-N	315.420	0.620	70	10	DCIE	
CC(C)O[C@@H]1CS(=O)(=O)C[C@H]1C1(S(=O)(=O)Cl)CC1	711274281	HOXNQZFVVSDKKU-RKDXNWHRSA-N	316.828	0.926	70	10	DCIE	
Cc1nc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)ncc1[B-](F)(F)F	2172769316	VVHNJAGGOHTCST-SECBINFHSA-N	322.141	0.851	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@]12C[C@H](CCO1)C2	2193684645	GOUZWGZPTKSORU-DGFRNANFSA-N	320.754	0.446	70	10	DCIE	
O=C1CCC(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)CC1	2088471080	DFDHMLQCLSYOJJ-SNVBAGLBSA-N	313.372	0.202	70	10	DCIE	
Cc1ccc(NC(=O)C(=O)N2CC(S(=O)(=O)F)C2)cc1	2199687358	HMSHQLBACZPVQP-UHFFFAOYSA-N	300.311	0.444	70	10	DCIE	
Cc1cc(S(=O)(=O)F)c(C)cc1OCCOCC(N)=O	2241015475	UHUCUJJDRRZULE-UHFFFAOYSA-N	305.327	0.842	70	10	DCIE	
CS(=O)(=O)N1CCC[C@H](OS(=O)(=O)C(F)(F)F)C1	2241692885	NVFNKSUWUXYKGE-LURJTMIESA-N	311.303	0.277	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1COC2(CCC2)C1	2287072753	ZNBHWUKLOUCNFE-ZJUUUORDSA-N	306.359	0.350	70	10	DCIE	
O=S(=O)(c1cnc(O)nc1O)N1CC[C@H]([B-](F)(F)F)C1	2342480992	GFQLZPQNGWULHG-YFKPBYRVSA-N	312.058	0.500	70	10	DCIE	
O=C(Nc1ccc(S(=O)(=O)F)nc1)[C@@H]1[C@H]2COCC[C@H]21	2355948242	IMMSERDGOOHJDV-YWVKMMECSA-N	300.311	0.961	70	10	DCIE	
CCOC(=O)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1	218073414	KJLFWWRYHVTFLT-WDEREUQCSA-N	302.371	0.509	70	10	DCIE	
COC[C@H](C)N[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1774037802	FSTIHKSKSBOCJR-IUCAKERBSA-N	321.374	0.416	70	10	DCIE	
COc1cc(N)ccc1S(=O)(=O)NCCNC(=O)C1CC1	160649537	RSNIMSXRPJHDLM-UHFFFAOYSA-N	313.379	0.082	70	10	DCIE	
NCc1cc(S(=O)(=O)NCCNC(=O)C2CC2)ccc1F	160724773	YFDZIXFSWICGTP-UHFFFAOYSA-N	315.370	0.089	70	10	DCIE	
C[C@@H]1C[C@H](N)CCN1c1cnn(CCN(C)C)c(=O)c1Cl	159928617	ZMVBQFUZPSZVOT-GHMZBOCLSA-N	313.833	0.774	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1COC[C@@H]1F	1875999659	JZVIXFLZDAYYTA-YUMQZZPRSA-N	310.734	0.419	70	10	DCIE	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCC2CN(S(=O)(=O)F)C2)[C@H]1C	1974055417	QSXJPFFTBKINNB-WYOJIJJFSA-N	308.375	0.308	70	10	DCIE	
CN(C)CCn1ncc(Cl)c1[C@@H](N)[C@@H]1CN(C)CCO1	161043299	LYQIZFJOJXQRLZ-RYUDHWBXSA-N	301.822	0.429	70	10	DCIE	
O=S(=O)(Cl)CCCN1C[C@@H]2CCCS(=O)(=O)[C@H]2C1	2028432834	NZBDSCSKEJJFHZ-UWVGGRQHSA-N	315.844	0.454	70	10	DCIE	
C[C@]1(C[C@H]2CCCS2(=O)=O)CC(=O)N1S(=O)(=O)Cl	2039058161	KWOQMEANGAFSTC-APPZFPTMSA-N	315.800	0.428	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2CC[C@@H](NS(C)(=O)=O)C2)n1	2172764470	DDBOSUBAMBWOGD-SECBINFHSA-N	322.141	0.572	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCC(=O)NC(C)C	2182344087	RDBNXEKAGWLHQA-UHFFFAOYSA-N	323.802	0.872	70	10	DCIE	
CCN1CCN(CCn2cc(S(=O)(=O)Cl)cn2)CC1	2113631008	YNKQWLANHMPKOZ-UHFFFAOYSA-N	306.819	0.448	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)C1C[C@@H]2CC[C@H](C1)S2	2268804365	CMNJCKZUXYMXKV-RSMPGPOFSA-N	308.400	0.675	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CCS(C)(=O)=O	114178434	PNHHFULUVKUNPY-UHFFFAOYSA-N	300.789	0.418	70	10	DCIE	
C[C@H](C(=O)N1CCN(S(=O)(=O)F)CC1)[C@@H]1CCCCO1	2163667823	QJRXPFMXRRDPTR-QWRGUYRKSA-N	308.375	0.550	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N[C@@]23COC[C@H]2C3)cc1	718103374	XIQNVZZMLOAGTH-KCJUWKMLSA-N	321.351	0.412	70	10	DCIE	
O=C(NC[C@@H]1[C@@H]2COC[C@@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2118080396	VCHVLMJGODTKNS-AYMMMOKOSA-N	304.755	0.564	70	10	DCIE	
O=C([C@H]1C[C@@H](Br)C1)N1CC(CS(=O)(=O)F)C1	1992831687	PHBUWYAFLCGWPR-OCAPTIKFSA-N	314.176	0.918	70	10	DCIE	
CC(C)NC[C@@H](O)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1278803717	FDXQUPRYBWLCGD-SECBINFHSA-N	321.374	0.104	70	10	DCIE	
CCS(=O)(=O)[C@@H]1CSCCN1C(=O)N[C@@H]1CCOC1	160662614	KKVYHIZKXZZKMS-NXEZZACHSA-N	308.425	0.295	70	10	DCIE	
COC(=O)CN(CC(=O)OC)c1ccc(C(N)=S)c(F)c1	160554037	XMFLGUDERXDUBK-UHFFFAOYSA-N	314.338	0.612	70	10	DCIE	
CN(C)CCN1C(=O)COc2ccc(S(=O)(=O)Cl)cc21	1857929949	KDYBUHIKYOKBCW-UHFFFAOYSA-N	318.782	0.901	70	10	DCIE	
CN(CCC(=O)N1CC(S(=O)(=O)F)C1)C(=O)OC(C)(C)C	1897480734	DZZIEPIOUBGLFX-UHFFFAOYSA-N	324.374	0.754	70	10	DCIE	
COC[C@]1(C(=O)N2CCC(S(=O)(=O)F)CC2)CCCO1	1968216866	FJNDAIQTAWYIOL-LBPRGKRZSA-N	309.359	0.472	70	10	DCIE	
C[C@H](O)[C@H](N)CNc1cnn(CC(F)(F)F)c(=O)c1Cl	159551687	YNWMSMKCVRCLLX-NTSWFWBYSA-N	314.695	0.579	70	10	DCIE	
O=C([C@H]1CN2CCC1CC2)N1CCC(S(=O)(=O)F)CC1	2150808909	URMBCZCDFZXRKL-LBPRGKRZSA-N	304.387	0.619	70	10	DCIE	
CCO[C@@H]1CC[C@@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C1	2174879583	DRXFVQXBXVUDRM-GHMZBOCLSA-N	308.375	0.454	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CCCCS(C)(=O)=O	689724107	CRMVELHMDXXMKQ-UHFFFAOYSA-N	314.816	0.944	70	10	DCIE	
O=C(O)c1ccc(OCc2nn[nH]n2)c(S(=O)(=O)F)c1	2191424112	OFOCJCGGSHZHQQ-UHFFFAOYSA-N	302.243	0.135	70	10	DCIE	
CCc1noc(Cn2cc(S(=O)(=O)Cl)nc2COC)n1	2182341998	ASCWSYPARGAGJJ-UHFFFAOYSA-N	320.758	0.951	70	10	DCIE	
O=S1(=O)C[C@@H]2CCN(c3nc([B-](F)(F)F)cs3)[C@H]2C1	2052597471	QXKKQQBZZDUWHP-BQBZGAKWSA-N	311.139	0.821	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cc(Cl)ncn1	2271497781	LACPWSGRXKERFP-ZCFIWIBFSA-N	308.722	0.148	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)C(F)(F)C1CCCC1	2268805027	VYHCVCFIDUVCNV-UHFFFAOYSA-N	300.302	0.827	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccc2ncsc2c1	2284152339	WOMVUIGQRNRKCR-UHFFFAOYSA-N	315.351	0.925	70	10	DCIE	
O=C(CC[C@H]1CCCCO1)N[C@H]1CCN(S(=O)(=O)F)C1	2287077641	WZUXFAODCMVQIF-WDEREUQCSA-N	308.375	0.741	70	10	DCIE	
CC(C)(CO)CNC(=O)CNS(=O)(=O)c1ccccc1	160335105	DVMJLWJESLOCPK-UHFFFAOYSA-N	300.380	0.100	70	10	DCIE	
CNC[C@@H]1CCCCN1S(=O)(=O)N(CCOC)C(C)C	217444463	IFPCOQBKQQVTBA-ZDUSSCGKSA-N	307.460	0.662	70	10	DCIE	
COC[C@H](O)CN(C)C(=O)/C=C\c1c(C)nn(C)c1Cl	218104077	OVQCJYWIIHSBOD-WWQCOOJYSA-N	301.774	0.861	70	10	DCIE	
CO[C@@]1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCSC1	1347352003	QYDMMHXERNUCSX-LLVKDONJSA-N	322.383	0.925	70	10	DCIE	
O=C(CC1CC(C(F)F)C1)NCC1CN(S(=O)(=O)F)C1	1974055798	WHVHJZCBFQVWBQ-UHFFFAOYSA-N	314.329	0.930	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)CC1(S(C)(=O)=O)CCC1	2048871815	DLMXWTHZXDJTGC-UHFFFAOYSA-N	317.860	0.844	70	10	DCIE	
CC(C)(C)NS(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2110220705	FDWPZQXQTCSFMF-UHFFFAOYSA-N	311.360	0.785	70	10	DCIE	
O=C1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)nc2)N1	2166523097	BSYSMGVSRIVEKC-QMMMGPOBSA-N	301.299	0.347	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2CC[C@H](NS(C)(=O)=O)C2)n1	2172764471	DDBOSUBAMBWOGD-VIFPVBQESA-N	322.141	0.572	70	10	DCIE	
Cc1nnc(S(=O)(=O)CCS(=O)(=O)Cl)c(C#N)c1C	124249189	NJQXLVVAJFPPFP-UHFFFAOYSA-N	323.783	0.307	70	10	DCIE	
CC(C)[C@H](N)CNc1cnn(CCN(C)C)c(=O)c1Cl	159543411	CTXCYOGOLWXXIP-SNVBAGLBSA-N	301.822	0.854	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1C(=O)C1(C(N)=S)CC(C)C1	159773090	KVTZLTQIQBVWDW-XIRUVYRFSA-N	313.423	0.052	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1c1cccnc1C(N)=S	159812376	IFNVZYXDEHCDMJ-NSHDSACASA-N	308.407	0.446	70	10	DCIE	
Cn1ncc(N2CC[C@@H](N3CCC(N)CC3)C2)c(Cl)c1=O	159822000	DTPVBJGDJWSSGB-LLVKDONJSA-N	311.817	0.436	70	10	DCIE	
COC(=O)Cn1ncc(N2CC[C@H](N)C[C@@H]2C)c(Cl)c1=O	159930116	XLXDUYCFVPMAEY-IUCAKERBSA-N	314.773	0.386	70	10	DCIE	
CNS(=O)(=O)c1ccc(NC[C@@]2(OC)CCOC2)cc1	160634356	UKTLHUJIXHYSIL-ZDUSSCGKSA-N	300.380	0.812	70	10	DCIE	
CCC(=O)N1CC[C@H](C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1	161111829	YEAJWPLFVYJEQE-QWRGUYRKSA-N	321.343	0.998	70	10	DCIE	
C[C@H]([C@@H](Cc1ccc(Br)cn1)NN)S(C)(=O)=O	161131140	SVOLQJXGCBNKFV-GMSGAONNSA-N	322.228	0.652	70	10	DCIE	
C#C[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)Cl	310598179	BUXUHHKWHAQDRY-MRVPVSSYSA-N	307.780	0.914	70	10	DCIE	
CN1CCN(CCCn2cnc(S(=O)(=O)Cl)c2)C1=O	690446738	IDADNUCWMZYMJQ-UHFFFAOYSA-N	306.775	0.568	70	10	DCIE	
O=S(=O)(OCC(F)(F)SC[C@H](O)CO)C(F)(F)F	1923805217	DFIHWSMCDSCLSC-SCSAIBSYSA-N	320.257	0.532	70	10	DCIE	
O=C(c1ncncc1Br)N1CC(S(=O)(=O)F)C1	2022194582	JPKIJRVUYKTGFG-UHFFFAOYSA-N	324.131	0.363	70	10	DCIE	
CC(C)(C)n1c(Cn2cnnc2)nnc1S(=O)(=O)Cl	2090273994	OMQDCCBGDOLOGB-UHFFFAOYSA-N	304.763	0.600	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1CC(=O)N1CCC1	2145942701	DJDSJSNMWXUSDW-UHFFFAOYSA-N	322.730	0.260	70	10	DCIE	
O=C(N1CC(CCS(=O)(=O)F)C1)[C@@]12CCCN(CC1)C2	2199699058	UUMLXJOHGGPDFA-ZDUSSCGKSA-N	304.387	0.620	70	10	DCIE	
Cc1cc(Cl)nc(C(=O)NC2CN(S(=O)(=O)F)C2)c1	2268800502	ZOFSXQUSUBFSAV-UHFFFAOYSA-N	307.734	0.672	70	10	DCIE	
COc1ccc(C)c(C(=O)NC2CN(S(=O)(=O)F)C2)c1	2284152017	WBBWEHAFOLVPDE-UHFFFAOYSA-N	302.327	0.632	70	10	DCIE	
CN(C)CCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	217287244	AXCRXWKJZGOQDU-CQSZACIVSA-N	304.394	0.648	70	10	DCIE	
CC(C)c1[nH]nc(C(=O)N[C@H]2CCOC2)c1S(=O)(=O)Cl	131885461	WCQGNKYSQQZIEV-ZETCQYMHSA-N	321.786	0.979	70	10	DCIE	
O=C1N[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CO1	1533724108	HIQHDZCHUKBKHF-SSDOTTSWSA-N	306.246	0.531	70	10	DCIE	
CN1C[C@H](NS(=O)(=O)c2ccc3c(c2)CCO3)CCC1=O	160070537	GDTCVPIFMBODPZ-LLVKDONJSA-N	310.375	0.521	70	10	DCIE	
C[C@H](NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1)C(=O)N(C)C	160749590	CQXSGDLYQFXGJX-WOSRLPQWSA-N	311.426	0.206	70	10	DCIE	
Cc1c(CN=[N+]=[N-])cc(OS(=O)(=O)F)c(C)c1B(O)O	1887520585	MRAFJYQQABXLDZ-UHFFFAOYSA-N	303.080	0.387	70	10	DCIE	
CCn1cc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)nn1	2143648428	HTFLSXZYBKDWEC-UHFFFAOYSA-N	320.718	0.379	70	10	DCIE	
O=C(CCN1CCSC1=O)N1CCC[C@H](S(=O)(=O)F)C1	1968226590	DUYABYDGPTYOTP-VIFPVBQESA-N	324.399	0.836	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1C[C@H]2[C@@H](C1)C2(F)F	1974054359	CEDAHNSNDPRQBZ-PSVAKVPMSA-N	312.313	0.540	70	10	DCIE	
O=C(C[C@H]1CN2CCC1CC2)N1CC[C@H](S(=O)(=O)F)C1	2151301542	VGNUXKMTZUFUFW-RYUDHWBXSA-N	304.387	0.619	70	10	DCIE	
CN1CCN(C)[C@@H](c2nnc(S(=O)(=O)Cl)n2C2CC2)C1	2155749113	PJCXKMNGTOGHBH-SECBINFHSA-N	319.818	0.459	70	10	DCIE	
C[C@H]1COC[C@@H]1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	699725500	MUASTNHFVOCLJS-KWQFWETISA-N	323.367	0.658	70	10	DCIE	
Cc1nc(N2CCS(=O)(=O)[C@@H](C)[C@H]2C)ncc1[B-](F)(F)F	2172758179	MMBSYSAGHJUQJL-BDAKNGLRSA-N	322.141	0.851	70	10	DCIE	
CS(=O)(=O)N[C@H]1CCCN(c2ncccc2[B-](F)(F)F)C1	2172786324	ZGVABQGTBFJULB-VIFPVBQESA-N	322.141	0.654	70	10	DCIE	
O=S1(=O)C[C@@H]2CCN(c3ncc([B-](F)(F)F)cc3F)[C@H]2C1	2172792504	RZEKDZWXLBHLBD-XVKPBYJWSA-N	323.100	0.898	70	10	DCIE	
O=S(=O)(Oc1ccnc(N2CCNCC2)n1)C(F)(F)F	2081067005	SNGZSNKYEGSKDG-UHFFFAOYSA-N	312.273	0.115	70	10	DCIE	
COCCn1c(C23CC(C2)[C@@H](C)O3)nnc1S(=O)(=O)Cl	2193084104	WWXDEEOVEVATGC-OBEAGUGNSA-N	321.786	0.876	70	10	DCIE	
CNC(=O)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)F)cc1	2191427652	DVTCKYKIVIKGJU-SSDOTTSWSA-N	304.299	0.568	70	10	DCIE	
CCc1c(C(=O)N2CC(CCS(=O)(=O)F)C2)cnn1C	2199689994	UXSIUJFMEWLOLD-UHFFFAOYSA-N	303.359	0.744	70	10	DCIE	
CCN(CC)S(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2078990206	GVHLIRGLKBFCGN-UHFFFAOYSA-N	302.393	0.194	70	10	DCIE	
COc1nc(N2CC[S@](=O)[C@H](C)C2)ncc1[B-](F)(F)F	2116130900	OSMGKJIPPONISW-GLEHDBDLSA-N	308.114	0.497	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ncc(F)cc3[B-](F)(F)F)C[C@H]21	2336509052	QZHWLUVTPAICAO-IMTBSYHQSA-N	309.073	0.508	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)c1cncc(F)c1	124133130	CWTGIVSAISRZHM-UHFFFAOYSA-N	302.736	0.068	70	10	DCIE	
COCCn1c(Cc2ccncc2)nnc1S(=O)(=O)Cl	158059022	OEQTUOJJJSCTPA-UHFFFAOYSA-N	316.770	0.838	70	10	DCIE	
COCCC[C@H](N)C(=O)Nc1ccccc1S(N)(=O)=O	159379349	YMJOZXMEFRMUBO-VIFPVBQESA-N	301.368	0.026	70	10	DCIE	
COC(=O)Cn1ncc(N[C@H](CN)C2CC2)c(Cl)c1=O	159581741	JFFKNTXVQMVZOO-MRVPVSSYSA-N	300.746	0.219	70	10	DCIE	
Cc1cnn(Cc2cc(C(=O)N(C)CC(=O)N(C)C)no2)c1	160259486	UGQNTKVAVIHNDP-UHFFFAOYSA-N	305.338	0.388	70	10	DCIE	
CC(C)[C@@H]1CC[C@@H](N)[C@@H](N2CCN(S(C)(=O)=O)CC2)C1	217961429	LVLHEUOZBCHKQL-MCIONIFRSA-N	303.472	0.716	70	10	DCIE	
COC[C@H](O)CN(C)S(=O)(=O)c1cccc([C@@H](C)N)c1	218037261	OYCWVORSRNIXNO-ZYHUDNBSSA-N	302.396	0.334	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(N)ccc1Cl	218123175	CJHYXXDCCNMCAX-UHFFFAOYSA-N	305.787	0.679	70	10	DCIE	
CNC(=O)CCn1nc([N+](=O)[O-])c(S(=O)(=O)Cl)c1C	302363005	YIRJUVGMSKEQBQ-UHFFFAOYSA-N	310.719	0.163	70	10	DCIE	
C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CO1	401466451	MDUHDEOSIFBQFS-RKDXNWHRSA-N	323.367	0.801	70	10	DCIE	
CO[C@@H]1CC[C@H]1N(C)C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	724160378	KQMGKIQMTKVCNY-HTQZYQBOSA-N	321.786	0.895	70	10	DCIE	
C[C@@]1(c2ccsc2)NC(=O)N(CCS(=O)(=O)F)C1=O	883952920	ATPCZSJFBRMJTL-JTQLQIEISA-N	306.340	0.814	70	10	DCIE	
C#CCN(C)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1731269069	USOAOFDASFJHAC-UHFFFAOYSA-N	301.343	0.358	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CCCOCC2)[nH]1	1923168753	YHUZUZSVTVESCE-MRVPVSSYSA-N	305.331	0.255	70	10	DCIE	
O=C(N1CC[C@@H](S(=O)(=O)F)C1)C1(Br)CC1	1960898136	SZOHWDBHTKKZKE-ZCFIWIBFSA-N	300.149	0.814	70	10	DCIE	
COc1ncccc1C(=O)N1CCC(S(=O)(=O)F)CC1	1968218653	YBNKFBFZHYFBCT-UHFFFAOYSA-N	302.327	0.994	70	10	DCIE	
Cc1cc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)nnc1C	1973214012	LOMVPDXEZUADLT-JTQLQIEISA-N	301.343	0.997	70	10	DCIE	
CN(C[C@@H]1CO[C@H]2COC[C@@H]12)c1ncc([B-](F)(F)F)cn1	2172784682	FTJKEWUOXHLWOC-MIMYLULJSA-N	302.085	0.629	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3CCCO[C@H]32)c1S(=O)(=O)Cl	2176539538	QXLAKSJCMXVAST-ZXFLCMHBSA-N	319.770	0.553	70	10	DCIE	
COCC(COC)Cc1nnc(S(=O)(=O)Cl)n1C1CC1	2187437886	ZKEGLJUYNRLBDY-UHFFFAOYSA-N	323.802	0.992	70	10	DCIE	
CN(CCn1cc(S(=O)(=O)Cl)c(O)nc1=O)C(C)(C)C	2193366550	ICEOFNGIWUBXLF-UHFFFAOYSA-N	323.802	0.607	70	10	DCIE	
O=C(c1ccn(C2CC2)n1)N1CC(CCS(=O)(=O)F)C1	2199686905	CZRCVZFJTJUPHR-UHFFFAOYSA-N	301.343	0.979	70	10	DCIE	
Cc1cc(C(=O)NC2CN(S(=O)(=O)F)C2)cc(Cl)n1	2268803585	HXRDQTZZMNBYIO-UHFFFAOYSA-N	307.734	0.672	70	10	DCIE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)c1cc(S(=O)(=O)Cl)c[nH]1	2329057909	PYPDNFVWSYPSEJ-SKWCMTHISA-N	304.755	0.992	70	10	DCIE	
C#C[C@H]1CC[C@H](C(=O)NCC2CN(S(=O)(=O)F)C2)CC1	2363897321	XFQCCTDPLKOOLO-UMSPYCQHSA-N	302.371	0.688	70	10	DCIE	
COc1cccc(OC)c1NC(=O)N1CCN(CCN)CC1	217270632	AOKVKTXBLDSABC-UHFFFAOYSA-N	308.382	0.812	70	10	DCIE	
O=C(C[S@@](=O)Cc1ccc(S(=O)(=O)F)cc1)N1CCC1	857219597	KTRGENPESALUMX-IBGZPJMESA-N	319.379	0.826	70	10	DCIE	
C[C@@H](Cn1cncn1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1123469434	UUPBSVAAXSMMHJ-ZETCQYMHSA-N	301.303	0.083	70	10	DCIE	
C[C@H](CS(C)(=O)=O)N(C)CCCCS(=O)(=O)Cl	708458017	RVGYGCAPCBQGOK-SECBINFHSA-N	305.849	0.700	70	10	DCIE	
CCN(c1ncncc1[B-](F)(F)F)[C@@H](C)CS(C)(=O)=O	2116145630	NPUQVAXLOUEUTN-QMMMGPOBSA-N	310.130	0.790	70	10	DCIE	
CCOC(=O)CCN(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1	217044474	QMKCKGIKBOILJP-QWRGUYRKSA-N	308.400	0.225	70	10	DCIE	
CCCC(=O)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1686401682	LFDSSKYUHRTPHT-UHFFFAOYSA-N	305.331	0.319	70	10	DCIE	
CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1	161314184	KVLSJEYOZMTHGP-VXGBXAGGSA-N	320.397	0.293	70	10	DCIE	
C[C@@](O)(Cc1cccc(F)c1)[C@@]1(CN)CCS(=O)(=O)C1	159431910	CRQMIXJCVMJHJY-ZIAGYGMSSA-N	301.383	0.883	70	10	DCIE	
CC(C)(C)n1nnnc1Cn1cc(S(=O)(=O)Cl)cn1	1885486473	DXSQZAOIUCKLNF-UHFFFAOYSA-N	304.763	0.600	70	10	DCIE	
C[Si](C)(C)C#Cc1cc(CS(=O)(=O)F)cc(B(O)O)c1	1887520167	DQNHEXZTQMVGIN-UHFFFAOYSA-N	314.219	0.395	70	10	DCIE	
C[C@H]1C[C@@H](C(=O)NCC2CN(S(=O)(=O)F)C2)CCS1	1974055193	NUDSCDRVQPVEDM-WPRPVWTQSA-N	310.416	0.780	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]3C2)c1	380376978	DTKUNHXQDBAZBG-IUCAKERBSA-N	305.352	0.985	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N(C)C2COCCOC2)n1	2188041281	UKYDNBOMCBVJAL-UHFFFAOYSA-N	304.101	0.999	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)O3)c1	2198543631	WIYWAVICEZLZAM-DTORHVGOSA-N	321.351	0.507	70	10	DCIE	
CN(C)[C@@H]1CC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2101483671	HZHYGOODQNWEGA-PSASIEDQSA-N	305.787	0.765	70	10	DCIE	
COCCn1c([C@H]2CC[C@H]2OC)nnc1S(=O)(=O)Cl	2227855992	QVUORZRPMDAZMO-JGVFFNPUSA-N	309.775	0.744	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC12CCOCC2	2287075486	DDSPQIXOWHJRPW-ZJUUUORDSA-N	306.359	0.208	70	10	DCIE	
O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CC(CCS(=O)(=O)F)C1	2357628949	VEDXZQVEIPYDIK-GRYCIOLGSA-N	305.371	0.949	70	10	DCIE	
O=S(=O)(Cl)c1nnc(-c2nnn3c2CCC3)n1C1CC1	2363963090	VRFAALQLICRLQQ-UHFFFAOYSA-N	314.758	0.745	70	10	DCIE	
CC(C)n1c(-c2ccc(=O)[nH]n2)nnc1S(=O)(=O)Cl	232757520	BPHFSINWPHHDMA-UHFFFAOYSA-N	303.731	0.537	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)CC2(C#N)CC2)n1	2166366711	WZOLQJNZWQRYSN-UHFFFAOYSA-N	322.343	0.124	70	10	DCIE	
O=C(Cc1ccc(S(=O)(=O)Cl)s1)NC1[C@H]2COC[C@H]12	2118017340	VHKCNICNXQLBEZ-YUMQZZPRSA-N	321.807	0.979	70	10	DCIE	
COC[C@H](C)NC(=O)Cn1nc(C)c(S(=O)(=O)Cl)c1C	215746182	BJVXRLYKVFUSSO-ZETCQYMHSA-N	323.802	0.579	70	10	DCIE	
CCCNC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1627299581	ACUJPFJATDGEFO-ZETCQYMHSA-N	305.331	0.317	70	10	DCIE	
C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@H](O)CN1CCCCC1	160662577	IQASJHMGYIFALS-OCCSQVGLSA-N	323.393	0.361	70	10	DCIE	
COC(=O)Cn1ncc(N2CC[C@H](N)[C@H](C)C2)c(Cl)c1=O	159790480	ZHZQPFYFAHZURT-BDAKNGLRSA-N	314.773	0.243	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1ccnc(O)c1	1974403316	XJLFZDDYIHOFGR-UHFFFAOYSA-N	303.315	0.196	70	10	DCIE	
CN([C@H]1CCOC1)S(=O)(=O)c1cccc(F)c1C(N)=S	159445666	OSKANYQZNDJJFQ-QMMMGPOBSA-N	318.395	0.869	70	10	DCIE	
COC(=O)CN(CC(=O)OC)c1nnc(C(F)(F)F)s1	160421644	XOKUPMCARXOBTO-UHFFFAOYSA-N	313.257	0.709	70	10	DCIE	
CN(C)[C@H]1CC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	2157692538	OZAUZMSHCNNXIW-UWVGGRQHSA-N	319.814	0.775	70	10	DCIE	
Cc1nc(N2CCO[C@@]3(CCOC3)C2)ncc1[B-](F)(F)F	2172765666	UXJDSDUIJIKWOQ-LBPRGKRZSA-N	302.085	0.835	70	10	DCIE	
CCc1nc(Cn2cc(S(=O)(=O)Cl)nc2COC)no1	2182343463	NADQARNUXNHQKY-UHFFFAOYSA-N	320.758	0.951	70	10	DCIE	
COC[C@H]1C[C@@H]1CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2189958103	YQHBMESTQMUZON-HTQZYQBOSA-N	321.786	0.658	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ncccc1Cl	2271484305	BUNBHAMAOUOCJG-ZETCQYMHSA-N	307.734	0.753	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C1(C(F)(F)F)CC1	2271485643	POTZFWXQGUDXCB-LURJTMIESA-N	304.265	0.734	70	10	DCIE	
CS(=O)(=O)N1CCC(Oc2ccncc2[B-](F)(F)F)CC1	2285599217	HDUJBSZURQXPNK-UHFFFAOYSA-N	323.125	0.939	70	10	DCIE	
CC(C)(C)OC(=O)NCC#CC(=O)N1CC(S(=O)(=O)F)C1	1897481709	OTWOFJWKOXZBAA-UHFFFAOYSA-N	320.342	0.025	70	10	DCIE	
O=C(NC/C=C\CNCCCF)c1cc(S(=O)(=O)F)c[nH]1	1321249868	CQBKFLPWBXFFCH-UPHRSURJSA-N	321.349	0.908	70	10	DCIE	
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1c1ncncc1[B-](F)(F)F	2116144577	GDJFZKDDLSKWQV-HTQZYQBOSA-N	308.114	0.543	70	10	DCIE	
COC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)on1	1273544809	VZZHMAJHCPNMJV-UHFFFAOYSA-N	317.254	0.700	70	10	DCIE	
COc1cncc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1	1530019546	VKPWWDGTPMWIKS-UHFFFAOYSA-N	300.271	0.724	70	10	DCIE	
Cc1nscc1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923175917	SATBRBHOEQRFIC-UHFFFAOYSA-N	304.328	0.517	70	10	DCIE	
CC(C)C[C@@H](NS(C)(=O)=O)C(=O)NCC1(CO)CCCC1	160283858	MANVCTUEBNYMOZ-GFCCVEGCSA-N	320.455	0.619	70	10	DCIE	
COCCOCCCCN1C(=O)NC(=O)[C@@H](C(C)C)C1=O	160594749	YMKQCZYHKXXAOF-LLVKDONJSA-N	300.355	0.780	70	10	DCIE	
CC1(C)[C@@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C1(F)F	1974055591	SYFHERMFZZEMGL-SSDOTTSWSA-N	300.302	0.540	70	10	DCIE	
C[C@H](C(=O)NC1CCN(S(=O)(=O)F)CC1)[C@H]1CCCO1	1974394965	SCYRDQYJVBXNTB-GXSJLCMTSA-N	308.375	0.596	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1cccc(O)n1	1974402661	PTGPSIQJRMPKOW-UHFFFAOYSA-N	303.315	0.196	70	10	DCIE	
O=C(c1n[nH]c(C2CC2)n1)N1CCC[C@@H](S(=O)(=O)F)C1	2144732798	JNZUBUBBBFQVJY-MRVPVSSYSA-N	302.331	0.586	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cc(N)ccc2F)CCOC1	159899954	YSJMRSLRCHXYAG-GFCCVEGCSA-N	304.343	0.492	70	10	DCIE	
Cc1ncc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)s1	2028132396	ZMCLEPVQSFZKAL-SSDOTTSWSA-N	314.385	0.514	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)CC(F)(F)F)CC1	2028131616	VXVWBADTWIXBCO-UHFFFAOYSA-N	313.294	0.642	70	10	DCIE	
O=C([C@H]1[C@@H]2[C@@H]1CCC2(F)F)N1CCN(S(=O)(=O)F)CC1	2170852843	ADCFPVKDEVPASB-HLTSFMKQSA-N	312.313	0.636	70	10	DCIE	
COCCn1c(-c2ccnc(C)n2)nnc1S(=O)(=O)Cl	396918985	WVXJRDDYLDVXKI-UHFFFAOYSA-N	317.758	0.617	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2[C@@H]3CCCO[C@H]32)c1S(=O)(=O)Cl	2176539536	QXLAKSJCMXVAST-LKEWCRSYSA-N	319.770	0.553	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2191168719	XNZXHKKKZRKABH-CSEVWPSDSA-N	316.766	0.778	70	10	DCIE	
O=CNc1nc(CC(=O)N2CC[C@@H](S(=O)(=O)F)C2)cs1	2181138082	XENVCXWDLPKIIV-MRVPVSSYSA-N	321.355	0.154	70	10	DCIE	
O=C(N1CCN(S(=O)(=O)F)CC1)C12CCC(CC1)OC2	2192884526	FYJMDCUFPUGQPX-UHFFFAOYSA-N	306.359	0.304	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@]2(C)CCCCO2)[nH]1	2199143764	NNJGRDBWOLHDHZ-NSHDSACASA-N	305.331	0.398	70	10	DCIE	
COc1ccc(C(=O)N2CCN(S(=O)(=O)F)CC2)s1	2107406150	AXMJLVGLTBDDQS-UHFFFAOYSA-N	308.356	0.729	70	10	DCIE	
COc1cc(Cl)ccc1C(=O)NC1CN(S(=O)(=O)F)C1	2284153864	RUTYOIBDTRAKRI-UHFFFAOYSA-N	322.745	0.977	70	10	DCIE	
CN(C)S(=O)(=O)[C@H]1CCN(c2ccc([B-](F)(F)F)cn2)C1	2279305314	KPCVQQSBFQUECL-JTQLQIEISA-N	322.141	0.606	70	10	DCIE	
CCc1cccc(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)c1	2284129352	KACOAQXPZFNLQW-UHFFFAOYSA-N	322.383	0.426	70	10	DCIE	
COCCC[C@H](N)CNCc1ccc(S(C)(=O)=O)cc1	159511850	IKWIYPOLDASVKS-ZDUSSCGKSA-N	300.424	0.934	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCC[C@H]2CCCO)cc1N	159616104	QSFAGBYWPZYHOG-NSHDSACASA-N	313.423	0.918	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1c1ccc(C(N)=S)cc1Cl	159799828	IGTKHWYLXOYTRT-NSHDSACASA-N	313.810	0.925	70	10	DCIE	
CN1CCN(c2c(Cl)cnn(CC3CC3)c2=O)[C@H](CN)C1	159816324	PWAZKEVXYLSWMJ-LLVKDONJSA-N	311.817	0.386	70	10	DCIE	
C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCO[C@@H](CN(C)C)C1	160448712	CHQJPDUFRHHQGL-CJNGLKHVSA-N	322.405	0.735	70	10	DCIE	
CC(C)CN1CCC[C@@H]1CNC(=O)CN1C(=O)NC(C)(C)C1=O	160566138	OSRRYGGDHQGXFB-GFCCVEGCSA-N	324.425	0.553	70	10	DCIE	
C[C@H](c1nnc(S(=O)(=O)Cl)n1C1CC1)S(C)(=O)=O	168027305	HXSAQOFSGBXAKQ-RXMQYKEDSA-N	313.788	0.646	70	10	DCIE	
COc1c(OCC(N)=O)cc([N+](=O)[O-])cc1S(=O)(=O)Cl	215645129	YHFHFAPKBVTORO-UHFFFAOYSA-N	324.698	0.395	70	10	DCIE	
CN(C)CCN(C(=O)NC(F)(F)F)[C@@H]1CCS(=O)(=O)C1	217266926	IHVMSSGSBOBYLD-MRVPVSSYSA-N	317.333	0.267	70	10	DCIE	
CN1CCN(C(=O)Nc2nc3c(s2)C(=O)NCCC3)CC1	218517929	YHKMNCGAENFEEB-UHFFFAOYSA-N	309.395	0.598	70	10	DCIE	
CO[C@H]1CN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)C[C@@H]1OC	300180383	RFJMAMVVQSTXHK-UWVGGRQHSA-N	322.770	0.428	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2COC(C)(C)C2)c1S(=O)(=O)Cl	396540137	NMPRTAZCGCIRKK-SSDOTTSWSA-N	321.786	0.943	70	10	DCIE	
COCCn1c(C23CCN(CC2)C3)nnc1S(=O)(=O)Cl	715851419	AHGIMNIDONGKLG-UHFFFAOYSA-N	320.802	0.199	70	10	DCIE	
C#CCNCCN(CC)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1715756705	HSCMTTLBLCCTCK-UHFFFAOYSA-N	301.343	0.358	70	10	DCIE	
CC(C)(C)OC(=O)NCCO[C@H]1CCN(S(=O)(=O)F)C1	1953960059	SUJGNIUGGSKISF-VIFPVBQESA-N	312.363	0.816	70	10	DCIE	
CO[C@H]1C[C@@H]1CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2131636924	AYWQVLJYOQHTGZ-RQJHMYQMSA-N	307.759	0.410	70	10	DCIE	
O=C([C@H]1CCc2nccn2C1)N1CC[C@H](S(=O)(=O)F)C1	2159907822	GKNHUZIAONAXMG-UWVGGRQHSA-N	301.343	0.346	70	10	DCIE	
CCS(=O)(=O)NC1CN(c2ncc(C)cc2[B-](F)(F)F)C1	2172802125	QDJPEBUOECMXJS-UHFFFAOYSA-N	322.141	0.572	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1CCOC[C@@H]1F	2186742292	ICPMRAFCRSRARE-DTWKUNHWSA-N	324.761	0.809	70	10	DCIE	
COc1ncccc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287077036	UZOCAALLRVUGMI-MRVPVSSYSA-N	303.315	0.109	70	10	DCIE	
COC1CC(CCC(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2287078380	HSNNPTFJJZOWJX-YVNMAJEFSA-N	308.375	0.596	70	10	DCIE	
COC(=O)[C@H](Cn1cccn1)OS(=O)(=O)C(F)(F)F	118271720	FQFBBOQVVGUWMK-LURJTMIESA-N	302.230	0.291	70	10	DCIE	
O=C(/C=C\c1c(Cl)nc2sccn12)NC[C@H](O)CO	218218792	UCQKOTFGDSMJQC-XRHZSYRXSA-N	301.755	0.532	70	10	DCIE	
CN1C[C@@H](Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)OC1=O	690555348	AFRHJFQXNXAVPY-YFKPBYRVSA-N	324.702	0.169	70	10	DCIE	
COCCOCCN(Cc1ccccc1)C(=O)[C@@H]1CNC(=O)C1	160222001	GGWXHBFAULCVLS-HNNXBMFYSA-N	320.389	0.814	70	10	DCIE	
Cc1nn(C)c(N2CC[C@H]3NC(=O)CC[C@@H]3C2)c1C(N)=S	160298452	PJEQABKRZOSUPT-NXEZZACHSA-N	307.423	0.468	70	10	DCIE	
CCS(=O)(=O)[C@H]1CSCCN1C(=O)N[C@H]1CCOC1	160663011	KKVYHIZKXZZKMS-UWVGGRQHSA-N	308.425	0.295	70	10	DCIE	
Cc1ccn(-c2ccc(N3CCS(=O)(=O)[C@H](C)C3)nn2)n1	160729688	GVOYGSLRGBWRLJ-LLVKDONJSA-N	307.379	0.594	70	10	DCIE	
COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](N(C)C)C1)CC2	160800357	FEUFUFUBDSMOLT-VXGBXAGGSA-N	322.413	0.085	70	10	DCIE	
CCNc1ccccc1S(=O)(=O)NCCNC(=O)C1CC1	160963637	IGHKZOCLKSTUJC-UHFFFAOYSA-N	311.407	0.923	70	10	DCIE	
COC[C@H](C)S(=O)(=O)N1CCC(Cn2cccn2)CC1	159424488	SQKCOOHEOJCPSF-LBPRGKRZSA-N	301.412	0.960	70	10	DCIE	
O=C(NC1CC1)[C@H]1COCCN1C(=O)c1cnccc1Cl	159517219	BKQWSXNVGBFHFC-GFCCVEGCSA-N	309.753	0.855	70	10	DCIE	
Cn1ncc(Cl)c1C(=O)N1CCC[C@@H](S(=O)(=O)F)C1	1968227006	JZPSLDSKJQPWHU-SSDOTTSWSA-N	309.750	0.977	70	10	DCIE	
Nc1cc(Cl)ccc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974058557	GASMEWXQSQNDFC-UHFFFAOYSA-N	321.761	0.798	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1CC[S@](C)=O	400536829	JKFVVGGKDXVMQP-KRWDZBQOSA-N	315.760	0.406	70	10	DCIE	
CCS(=O)(=O)CCCn1cc(S(=O)(=O)Cl)nc1C	114497330	FFQGBCLQTBOLGE-UHFFFAOYSA-N	314.816	0.944	70	10	DCIE	
CNC[C@H]1CCCN1C(=O)/C=C/c1cncc(C(=O)NC)c1	161382617	WNCNHFHQOKZOCI-VBROQKIQSA-N	302.378	0.665	70	10	DCIE	
C[C@H]1COC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	699814804	UALIHBYSNLWNAS-CBAPKCEASA-N	306.771	0.717	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1Cc1cn(C)cn1	2125952783	ARNRBMFQPLYPJJ-UHFFFAOYSA-N	304.759	0.739	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1C(=O)[C@@](C)(N)C(F)(F)F	159684140	QMIGUHUGRRGVJA-GZMMTYOYSA-N	311.304	0.018	70	10	DCIE	
CC1(C)CO[C@H](CC(=O)NCC2CN(S(=O)(=O)F)C2)C1	1974054816	JBEHDWSNCVBCKD-SNVBAGLBSA-N	308.375	0.454	70	10	DCIE	
CCN(C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl)[C@@H]1CCOC1	312584483	QCKMQVCRNIGQGP-MRVPVSSYSA-N	321.786	0.897	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nccnc1C1CC1	699524066	ULVYHFYRCDSXIR-UHFFFAOYSA-N	310.784	0.696	70	10	DCIE	
C[C@@H]1CC[C@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)OC1	2172992459	HFBAPRGTKUWRON-HTQZYQBOSA-N	322.770	0.692	70	10	DCIE	
CCn1c([C@H]2Cc3nncn3C2)nnc1S(=O)(=O)Cl	2111445989	TZHLNOYANSZRBA-LURJTMIESA-N	302.747	0.157	70	10	DCIE	
C[C@H]1CCC[C@@H]1CS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2268804709	DPSBGXBLWYLKKC-DTWKUNHWSA-N	314.404	0.241	70	10	DCIE	
COC(=O)Cn1cc(CCn2nc3c(cc2=O)CCCC3)nn1	159495336	PLLZKQVDDRDOHG-UHFFFAOYSA-N	317.349	0.129	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)c1cccc(F)c1N	159843589	LHVACQFGTBLCFG-UHFFFAOYSA-N	303.359	0.601	70	10	DCIE	
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nncn1C	160727732	DZHROKGRZMTFKX-VIFPVBQESA-N	307.379	0.414	70	10	DCIE	
CCNC(=O)NC(=O)CN1CCC[C@@H](c2nncn2CC)C1	161316431	YAQMDFFBMBEJAH-LLVKDONJSA-N	308.386	0.323	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)[C@@H]2CCO[C@H]2C)c1S(=O)(=O)Cl	161838177	PJLMUISOWILBQC-JGVFFNPUSA-N	321.786	0.895	70	10	DCIE	
CC(C)N(C)C(=O)Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215908548	DGCYJTHFGVLRHR-UHFFFAOYSA-N	324.746	0.586	70	10	DCIE	
CN(C)CCN(C(=O)NC1CCCC1)[C@H]1CCS(=O)(=O)C1	217582254	WYYXADKFVUNQDN-ZDUSSCGKSA-N	317.455	0.689	70	10	DCIE	
CS(=O)(=O)CC[C@@H](N)C(=O)N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217877223	WGRWPMZRYKFFIV-KKKKKVIPSA-N	314.451	0.689	70	10	DCIE	
C[C@H](NC(=O)c1ccn(C)n1)c1ccc(S(N)(=O)=O)cc1	218025034	LVBWMSDQYJEJSM-VIFPVBQESA-N	308.363	0.559	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C[C@@]12CC2(F)F	1974394362	HXUMZACKOWXZDE-WCBMZHEXSA-N	312.313	0.827	70	10	DCIE	
COCCn1c(CCCN(C)C)nnc1S(=O)(=O)Cl	2094950293	SSBWGOJOVDUHFG-UHFFFAOYSA-N	310.807	0.346	70	10	DCIE	
Cc1nc(N(C)CCCS(C)(=O)=O)ncc1[B-](F)(F)F	2116130685	MRLQZSMOJWEGJH-UHFFFAOYSA-N	310.130	0.710	70	10	DCIE	
O=S1(=O)C[C@H]2CCN(c3ccc([B-](F)(F)F)cn3)[C@H]2C1	2116150812	VVOSAZISYMKGIR-SCZZXKLOSA-N	305.110	0.759	70	10	DCIE	
Cn1cc(C(=O)Nc2ccc(S(=O)(=O)F)nc2)nc1O	2166524208	JAIPWPVXPVSMGF-UHFFFAOYSA-N	300.271	0.431	70	10	DCIE	
COCCN1CCN(c2ncnc(C)c2[B-](F)(F)F)CC1	2172765254	OPQQGWGEZVWBFP-UHFFFAOYSA-N	303.117	0.608	70	10	DCIE	
CN(c1ncncc1[B-](F)(F)F)[C@@H]1CCCS(=O)(=O)CC1	2172773802	GSZKZCMZXTYBDF-SECBINFHSA-N	322.141	0.935	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1[C@@H]1CCCNC1=O	2182343953	MJYDGRTYKQDFEI-MRVPVSSYSA-N	321.786	0.798	70	10	DCIE	
Cc1cc(S(=O)(=O)F)cc(C)c1OCC(=O)NCC#N	2191428137	KNOFCGCMLMVTEC-UHFFFAOYSA-N	300.311	0.980	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C(F)(F)[C@H]1CCOC1	2287075966	PWPXGTLCKKLRAH-YUMQZZPRSA-N	316.301	0.063	70	10	DCIE	
COCCOCCCOCCOCCS(=O)(=O)Cl	234750926	NFRPHHMRPRNAJZ-UHFFFAOYSA-N	304.792	0.641	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1C[C@@H]2C[C@@H]2C1	698102178	FEXBNKGJQCOLJM-RNLVFQAGSA-N	304.755	0.923	70	10	DCIE	
O=S1(=O)CC[C@H]2CN(c3ncc([B-](F)(F)F)cn3)C[C@H]21	2116146516	UMSASDIMGZPHOU-IONNQARKSA-N	306.098	0.154	70	10	DCIE	
C[C@H]1CN(c2ncc([B-](F)(F)F)cc2F)CCS1(=O)=O	2116152170	FBECICVGEHDSBJ-ZETCQYMHSA-N	311.089	0.898	70	10	DCIE	
Cc1nnc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)n1C	215919346	SJLZNFTWCLKIAP-UHFFFAOYSA-N	320.718	0.204	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(N)cc(F)c1C	218146805	UDNSOGUUEZLVNB-UHFFFAOYSA-N	303.359	0.473	70	10	DCIE	
O=c1ccc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c[nH]1	160877926	MSRIRYYRCGBGHQ-RISCZKNCSA-N	312.391	0.691	70	10	DCIE	
C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394745	OKKPADOAQYMGSE-YWVKMMECSA-N	308.375	0.595	70	10	DCIE	
O=S(=O)(Cl)Cc1ccc(S(=O)(=O)C2COC2)cc1	258729338	MNTAXQPMUUDVGB-UHFFFAOYSA-N	310.780	0.928	70	10	DCIE	
C[C@@H]1CC[C@@H](CC(=O)Nc2nn(C)cc2S(=O)(=O)F)O1	2161089592	PRWYIRQLRIOXTL-SFYZADRCSA-N	305.331	0.974	70	10	DCIE	
COCC[C@@H](C)c1nnc(S(=O)(=O)Cl)n1CCOC	386344811	MCRLREUCTYDDBC-MRVPVSSYSA-N	311.791	0.992	70	10	DCIE	
O=C([C@@H]1CN2CCN1CC2)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2194130137	NUKTZVOZVLYQLD-NTZNESFSSA-N	302.129	0.826	70	10	DCIE	
CCOC(=O)C12CC(CS(=O)(=O)Cl)(C1)OC21COC1	2105844885	AGPYVVRZGFRVEC-UHFFFAOYSA-N	310.755	0.436	70	10	DCIE	
C[C@@H]1[C@@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)C1(F)F	2112724797	NPZPPKHCBPZULN-SVRRBLITSA-N	300.302	0.683	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2C[C@@H]3[C@H](C2)CS3(=O)=O)n1	2336405091	JZAIXYCXCWHARC-PSASIEDQSA-N	305.110	0.678	70	10	DCIE	
CC#CCNS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1	135254799	KLXXBNSGZTWDGC-UHFFFAOYSA-N	307.780	0.916	70	10	DCIE	
CNc1cc(C)nc(CN2CCSC[C@H]2S(C)(=O)=O)n1	159846720	NCHYWYLKJOQGKI-GFCCVEGCSA-N	316.452	0.746	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cc(C)cc(N)c2C)CCOC1	159909869	IDSQTYSYMKBLAG-CQSZACIVSA-N	314.407	0.969	70	10	DCIE	
CN1C[C@@H](NS(=O)(=O)c2cccc(F)c2F)CCC1=O	160062194	UNUICQMZYFZEOW-QMMMGPOBSA-N	304.318	0.864	70	10	DCIE	
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CS(=O)(=O)C(C)(C)C	160913029	RCCMBUMGIXPDRQ-UWVGGRQHSA-N	304.412	0.312	70	10	DCIE	
CNC(=O)CCOc1ccc(S(=O)(=O)Cl)cc1C(=O)O	215629563	SUAPYULCAOAUTE-UHFFFAOYSA-N	321.738	0.827	70	10	DCIE	
CN(C)CCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	217287242	AXCRXWKJZGOQDU-AWEZNQCLSA-N	304.394	0.648	70	10	DCIE	
C#CCCNS(=O)(=O)c1ccccc1S(=O)(=O)Cl	310429399	HEEKLUNJOGETDD-UHFFFAOYSA-N	307.780	0.916	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nccnc1C(F)F	310797815	CVDLSXVAAVGPQV-UHFFFAOYSA-N	320.726	0.757	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1Cc1nnnn1CC	698603691	WIKBQIWCRVYAHX-UHFFFAOYSA-N	318.790	0.818	70	10	DCIE	
C=CCN[C@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1282193148	PLMIKRCZCQPSQH-BDAKNGLRSA-N	303.359	0.955	70	10	DCIE	
O=C(c1cccc(Br)n1)N1CC(S(=O)(=O)F)C1	1968215928	PIRNJHSSYRUSNE-UHFFFAOYSA-N	323.143	0.968	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccc([N+](=O)[O-])o1	1974059887	PCWKAKZBDBJKRR-UHFFFAOYSA-N	307.259	0.064	70	10	DCIE	
Cc1cccc(O)c1C(=O)NCC1CN(S(=O)(=O)F)C1	1974060499	UEGAMLUNBCFRPZ-UHFFFAOYSA-N	302.327	0.577	70	10	DCIE	
Cc1cc(C#N)c(S(=O)(=O)CCS(=O)(=O)Cl)nc1C	2099239808	GVZWUOQUJIWJEL-UHFFFAOYSA-N	322.795	0.912	70	10	DCIE	
O=C(NC[C@@H]1[C@@H]2CCO[C@@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2119903168	LUPFIQXLZADQKK-XKSSXDPKSA-N	304.755	0.707	70	10	DCIE	
CO[C@H]1COC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2120785267	LHXNHQFQPDTDHC-IUCAKERBSA-N	308.743	0.086	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1OCC[C@@H]1F	2122533290	SYSINPNANUIWQO-NTSWFWBYSA-N	312.706	0.003	70	10	DCIE	
CN(C)S(=O)(=O)NCC(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2133911897	DICMJKRPYAZWBT-MRVPVSSYSA-N	316.134	0.222	70	10	DCIE	
O=S(=O)(C(F)F)C1CN(c2ncncc2[B-](F)(F)F)C1	2141745062	SXHGPPLIZBWJBU-UHFFFAOYSA-N	316.040	0.357	70	10	DCIE	
Nc1c(F)cccc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287066277	VWHLYZPVYQJYJK-SSDOTTSWSA-N	305.306	0.426	70	10	DCIE	
C[C@H](CCCN1C[C@@H]2CS(=O)(=O)[C@H]2C1)S(=O)(=O)Cl	2314955264	DRBJVRZSZQBLAO-BBBLOLIVSA-N	315.844	0.453	70	10	DCIE	
CCn1c(-c2cnc(COC)n2C)nnc1S(=O)(=O)Cl	2363968121	VSAJHIKGOPYRMC-UHFFFAOYSA-N	319.774	0.772	70	10	DCIE	
CCS(=O)(=O)NCCc1ccc(S(=O)(=O)F)s1	675066443	JWAGVHSJTUVIEV-UHFFFAOYSA-N	301.386	0.888	70	10	DCIE	
O=S1(=O)CCCN(c2ncc(F)cc2[B-](F)(F)F)CC1	2132072818	BCBMLDZLQMJXLW-UHFFFAOYSA-N	311.089	0.900	70	10	DCIE	
CCN(CCNC[C@H]1CCCN(S(C)(=O)=O)C1)C1CC1	218388208	VAMMDQFZZZUBQJ-CYBMUJFWSA-N	303.472	0.732	70	10	DCIE	
O=S1(=O)CC[C@@H](COCc2ccccc2[B-](F)(F)F)N1	2136015155	QPVIGZKBOMHULE-JTQLQIEISA-N	308.110	0.949	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H](N2CC=CC2)C1	160795896	PATHHHTUOMFQGP-LBPRGKRZSA-N	318.377	0.957	70	10	DCIE	
CC(C)Cn1ncc(C(=O)N[C@@H]2CCC(=O)NC2=O)c1C1CC1	160888011	UYEDHVZMFNVJQI-GFCCVEGCSA-N	318.377	0.952	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N(C)CC(=O)NC2CC2)c1F	159469420	VJCTTZFDHJLJCL-UHFFFAOYSA-N	315.370	0.615	70	10	DCIE	
C#C[C@@H]1CCN1S(=O)(=O)c1cccc(S(=O)(=O)F)c1	1965832850	MEPQHODNCPMDPK-SECBINFHSA-N	303.336	0.741	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1[C@H]2CCOC[C@H]21	1974394483	JQBKAYQDBGDGDN-HBNTYKKESA-N	306.359	0.064	70	10	DCIE	
CO[C@H](C)CCNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	311683410	JBNVJOPUQUNWRV-ZCFIWIBFSA-N	309.775	0.800	70	10	DCIE	
Cc1nn(C[C@H]2CC(=O)N(C)C2)c(C)c1S(=O)(=O)Cl	687223722	ICPMUBTWHAEAKM-VIFPVBQESA-N	305.787	0.906	70	10	DCIE	
N#CCCCCCn1cc(S(=O)(=O)Cl)c(O)nc1=O	385224071	MCFRSEQUCGPRHI-UHFFFAOYSA-N	305.743	0.960	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)CC2(S(C)(=O)=O)CC2)n1	2172765022	LRNBWQRJXQFBMD-UHFFFAOYSA-N	322.141	0.853	70	10	DCIE	
CCO[C@@H]1CC[C@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C1	2174879586	DRXFVQXBXVUDRM-WDEREUQCSA-N	308.375	0.454	70	10	DCIE	
O=S(=O)(Cl)CCCN1CC(N2CCN(C3CC3)CC2)C1	2190623632	KWXPDPVOFVHPPW-UHFFFAOYSA-N	321.874	0.409	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)CCCC(F)(F)F)C1	2078998953	YZGFADFOPLPDKM-UHFFFAOYSA-N	313.294	0.642	70	10	DCIE	
CN1CC(=O)N(CC(=O)N2CCC([B-](F)(F)F)CC2)C1=O	2239531746	MMVAVLCWQJTUSW-UHFFFAOYSA-N	306.073	0.720	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nc(C2CC2)ns1	114541150	PZZWUFHDADJNOO-UHFFFAOYSA-N	316.813	0.758	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@H]1CCOC1	115016605	LSEUOIHYJRPYRT-MRVPVSSYSA-N	306.771	0.719	70	10	DCIE	
O=C(NC[C@@H](O)Cn1ccccc1=O)[C@H](O)c1ccccc1	218438524	SVZHVDWWTBEIOO-UKRRQHHQSA-N	302.330	0.059	70	10	DCIE	
COCc1ccc(C(=O)NCC2CN(S(=O)(=O)F)C2)s1	2367820503	VTGWAQVMNOEGMZ-UHFFFAOYSA-N	322.383	0.770	70	10	DCIE	
CO[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@](C)(CO)C1	1123819105	HXXHWBVAVVWYRB-PRHODGIISA-N	320.342	0.285	70	10	DCIE	
COC(=O)Cc1ccc(S(=O)(=O)NCC(C)(C)CO)cc1	160059835	KXYKIXPTMMUDIB-UHFFFAOYSA-N	315.391	0.699	70	10	DCIE	
NC(=O)[C@H]1CNCCN1C(=O)c1cc2ccc(F)cc2s1	161208852	ZNKPIUDPAZLLGU-SNVBAGLBSA-N	307.350	0.940	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1cccc(CN)c1	161488733	NDIAFXDHLCRWIO-UHFFFAOYSA-N	314.407	0.307	70	10	DCIE	
CCC[C@@H]1CN(C(=O)NCC(=O)NCC(F)(F)F)CCO1	160453594	ROYLHDWODLIWBR-SECBINFHSA-N	311.304	0.875	70	10	DCIE	
Cc1cc(F)c(N)cc1S(=O)(=O)NCCNC(=O)C1CC1	160652316	IBJXEWCVNYVXQY-UHFFFAOYSA-N	315.370	0.521	70	10	DCIE	
CCN(CCO)C(=O)[C@H]1CCC[C@@H]1C(=O)N(CC)CCO	159818118	COELAKPZVDKBTD-STQMWFEESA-N	300.399	0.084	70	10	DCIE	
CC1(C)OCCO[C@H]1COCCOCCS(=O)(=O)Cl	2130422981	QAZVJLSGQYOQEN-JTQLQIEISA-N	316.803	0.782	70	10	DCIE	
CCCc1nc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)n[nH]1	2144733989	VZKYIWOTVXOKCS-MRVPVSSYSA-N	304.347	0.661	70	10	DCIE	
CC1(C)[C@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C1(F)F	1974055592	SYFHERMFZZEMGL-ZETCQYMHSA-N	300.302	0.540	70	10	DCIE	
COC1(C(=O)N2CCN(S(=O)(=O)F)CC2)CCCCC1	1974001401	SLMHDLMZFZTXNQ-UHFFFAOYSA-N	308.375	0.694	70	10	DCIE	
CN(C[C@@H]1CCCN(S(C)(=O)=O)C1)C[C@@H]1CCC[C@@H]1O	159688237	UUFOOGYVDSHZLH-IHRRRGAJSA-N	304.456	0.751	70	10	DCIE	
CCOc1cc(N)cc(C(=O)N[C@H](C)CS(C)(=O)=O)c1	159758112	DSPBZRCNCBEGPZ-SECBINFHSA-N	300.380	0.830	70	10	DCIE	
COCCn1c([C@@H]2C[C@H]2Cl)nnc1S(=O)(=O)Cl	2020455777	DWDMDOTTXBYCAH-PHDIDXHHSA-N	300.167	0.947	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@]23COC[C@@H]2C3)c1S(=O)(=O)Cl	689325329	AVMUNXUAFWGOTA-WRWORJQWSA-N	319.770	0.412	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1CCOCCC#N	385232299	OEYZCTHBBGZMTJ-UHFFFAOYSA-N	322.730	0.958	70	10	DCIE	
CN1CC[C@H]2OCCN(c3ncncc3[B-](F)(F)F)[C@H]2C1	2185498300	WPETVTYFUHFBJW-WDEREUQCSA-N	301.101	0.440	70	10	DCIE	
COCC1(C(=O)N2CC[C@H](S(=O)(=O)F)C2)CC(F)(F)C1	2295558342	UUSHFUHGMOSSHX-QMMMGPOBSA-N	315.313	0.949	70	10	DCIE	
O=C(CCc1ccncc1)N[C@@H]1CCN(S(=O)(=O)F)C1	2287080012	PBELLTPIRMNFRG-LLVKDONJSA-N	301.343	0.419	70	10	DCIE	
CCOC(=O)N1CCC(NC(=O)Nc2ccc(=O)[nH]n2)CC1	217304017	MKMWEXVPKZFXAP-UHFFFAOYSA-N	309.326	0.512	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1CCOC1	228667118	KBSRKYSPRKIHJC-MRVPVSSYSA-N	306.771	0.954	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2CO[C@@H](C)C2)c1S(=O)(=O)Cl	401468484	NISYQLLCIYBKID-NKWVEPMBSA-N	321.786	0.807	70	10	DCIE	
C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC(=O)C1CC1	1354744084	MKZYAGUBGIRTRD-ZETCQYMHSA-N	317.342	0.317	70	10	DCIE	
C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1nn(C)cc1O	1646320283	XEADTGGUCMZCAY-LURJTMIESA-N	316.314	0.603	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@H]3CCC[C@H]32)[nH]1	1923166745	DGLWGRZSXBBTST-IWSPIJDZSA-N	301.343	0.875	70	10	DCIE	
Cc1cc(C)n(CC(=O)N2CCC[C@H](S(=O)(=O)F)C2)n1	1973211898	GCZMFRLHIMIPLH-NSHDSACASA-N	303.359	0.790	70	10	DCIE	
Cc1cc(C(=O)N2CCN(S(=O)(=O)F)CC2)c(C)cn1	1974015886	YZESXTLGONOSOX-UHFFFAOYSA-N	301.343	0.671	70	10	DCIE	
C[C@@]1([C@@H]2CCCS(=O)(=O)C2)CC(=O)N1S(=O)(=O)Cl	2029450255	KARCOSWCTIIRMJ-APPZFPTMSA-N	315.800	0.286	70	10	DCIE	
CCCCN(C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2088472883	VJLPZAMXDBXCHY-SNVBAGLBSA-N	316.420	0.727	70	10	DCIE	
O=C(N[C@@H]1CO[C@@H]2COC[C@H]12)c1cc(S(=O)(=O)Cl)c[nH]1	2158070865	XCERALRSBBEEBK-SZEHBUNVSA-N	320.754	0.086	70	10	DCIE	
COc1cc(C)ncc1C(=O)N1CC(CS(=O)(=O)F)C1	2199684298	MIRGFBIQOJBBOH-UHFFFAOYSA-N	302.327	0.770	70	10	DCIE	
CC(C)(F)[C@](C)(F)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271503245	POBUECRKPRIUOY-OIBJUYFYSA-N	302.318	0.868	70	10	DCIE	
O=C(CSc1ccccc1F)NC1CN(S(=O)(=O)F)C1	2284150577	KXULLRAEOUKEOV-UHFFFAOYSA-N	322.358	0.933	70	10	DCIE	
CCO[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2287066288	APOMHXKQELQATJ-HBNTYKKESA-N	308.375	0.596	70	10	DCIE	
CC1(C)C[C@@H](CC(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CO1	2287079874	OKAQOSIPCWBGIM-NXEZZACHSA-N	308.375	0.596	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2C[C@H]3CS(=O)(=O)[C@H]3C2)n1	2361663611	YNHKWODYNABDAW-CBAPKCEASA-N	321.109	0.378	70	10	DCIE	
C[C@](O)(CNC(=O)C(=O)Nc1cccnc1)Cc1ccco1	217283012	FSTQNHJVNJHQFU-OAHLLOKOSA-N	303.318	0.723	70	10	DCIE	
CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC	218569887	FDZVMFLZGHFEBB-MWLCHTKSSA-N	301.387	0.788	70	10	DCIE	
CC1(C(=O)NC2CN(S(=O)(=O)F)C2)CC(C(F)(F)F)C1	2284149529	DFPOGKQZGQTGBX-UHFFFAOYSA-N	318.292	0.980	70	10	DCIE	
CCN(C)C(=O)Cn1cc(S(=O)(=O)Cl)nc1COC	2125954184	QZTKWNKMAUSBSQ-UHFFFAOYSA-N	309.775	0.435	70	10	DCIE	
CNCc1cc(S(=O)(=O)NCCCN(C)C)ccc1F	217466307	QFGTUYREESPFFM-UHFFFAOYSA-N	303.403	0.775	70	10	DCIE	
CS(=O)(=O)N1CCN(CC[C@H](N)c2ccc(F)cn2)CC1	161304298	UZIWDIKFTDIPBA-LBPRGKRZSA-N	316.402	0.188	70	10	DCIE	
CCC[C@@H](NC(=O)Cn1ncn(C)c1=O)C(=O)OC(C)(C)C	161422190	NIOTWCPYFXINGE-SNVBAGLBSA-N	312.370	0.208	70	10	DCIE	
CC1(C)CN(C(=O)CCCNC(=O)C2CC2)CCS1(=O)=O	160086989	KYXOQEQCJIKWBK-UHFFFAOYSA-N	316.423	0.328	70	10	DCIE	
C[C@H](CO)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	160361141	QKPUBQOXVITKQF-MNOVXSKESA-N	314.407	0.684	70	10	DCIE	
CC(C)N(C[C@H](C)O)C(=O)NCCCCN1CCOCC1	160388920	PBSXWGTXDKQEEC-AWEZNQCLSA-N	301.431	0.900	70	10	DCIE	
Cc1c(C(=O)NCC(C)(C)CO)cccc1S(N)(=O)=O	160914050	DOSCYDNWTOUNIS-UHFFFAOYSA-N	300.380	0.391	70	10	DCIE	
Cc1cc(O)ccc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001240	PKQWZLQXALKWOA-UHFFFAOYSA-N	302.327	0.673	70	10	DCIE	
C[C@@H](NC1CCS(=O)(=O)CC1)C(=O)NCC(F)(F)F	159777225	KWABKWUEEBQYCQ-SSDOTTSWSA-N	302.318	0.220	70	10	DCIE	
COCCn1c([C@@H]2C[C@@H]3C[C@H]3CO2)nnc1S(=O)(=O)Cl	2151725312	JNZKNHLUWZZCTH-CIUDSAMLSA-N	321.786	0.950	70	10	DCIE	
CCS(=O)(=O)N1CCN(c2ccncc2[B-](F)(F)F)CC1	2172779766	HNJVSGCTQSGUBG-UHFFFAOYSA-N	322.141	0.608	70	10	DCIE	
COCCn1c(C[C@H]2C[C@@H](OC)C2)nnc1S(=O)(=O)Cl	2167587821	RZWYJFHUBIVXFD-DTORHVGOSA-N	323.802	0.820	70	10	DCIE	
COCCn1c(-c2cnc(C)o2)nnc1S(=O)(=O)Cl	2092729635	QZCLICPQHVLYIZ-UHFFFAOYSA-N	306.731	0.815	70	10	DCIE	
O=C(Cc1cccc(O)c1)N[C@H]1CCN(S(=O)(=O)F)C1	2287075705	OLSMRTYNIXTTIU-JTQLQIEISA-N	302.327	0.340	70	10	DCIE	
O=C(OC[C@@H]1[C@H]2COC[C@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2341842042	RQNKCAJUPKDDIP-BRPSZJMVSA-N	305.739	0.991	70	10	DCIE	
O=[N+]([O-])c1ccc(S(=O)(=O)CCS(=O)(=O)Cl)cn1	112084126	RFUJSUAXWXZOOT-UHFFFAOYSA-N	314.728	0.332	70	10	DCIE	
CS(=O)(=O)N1CC[C@H](n2cnc(S(=O)(=O)Cl)c2)C1	689687544	BAYBYRKONZLDPB-ZETCQYMHSA-N	313.788	0.017	70	10	DCIE	
C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC(=O)C1CC1	1354744083	MKZYAGUBGIRTRD-SSDOTTSWSA-N	317.342	0.317	70	10	DCIE	
CN(CCC(=O)c1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1	161173845	MKRXTGRODCSNQR-LLVKDONJSA-N	300.355	0.912	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N(C)CC(=O)NC(C)(C)C	160163709	VTGYRCFQGPBQTM-UHFFFAOYSA-N	324.381	0.857	70	10	DCIE	
CCCCOCCOC[C@H](O)CNCCNC(=O)N(C)C	160929492	MGHFQCSLKPJTGB-CYBMUJFWSA-N	305.419	0.041	70	10	DCIE	
N[C@H](C(=O)N1CCOC[C@H]1C(=O)NC1CC1)c1cccs1	159660278	LLHDLFRBTWIYSQ-JQWIXIFHSA-N	309.391	0.254	70	10	DCIE	
CO[C@@]1(C)CCN(C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	380513700	HCFGIDTXUQAJLN-NSHDSACASA-N	321.786	0.897	70	10	DCIE	
CCS(=O)(=O)N1CCN(c2ncncc2[B-](F)(F)F)CC1	2172784443	DCOMNOCZXJCXRK-UHFFFAOYSA-N	323.129	0.003	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@H](C)O[C@H]2C)c1S(=O)(=O)Cl	384652613	CFUAAQAYVQKGED-APQOSEDMSA-N	321.786	0.941	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@]12COC[C@H]1C2	718094893	HLTGMSNNUYIUJT-PELKAZGASA-N	318.782	0.954	70	10	DCIE	
COC[C@]12C[C@](C(=O)N3CC[C@@H](S(=O)(=O)F)C3)(CO1)C2	2206051355	ZMTGCYCXXOCHFR-YUSALJHKSA-N	307.343	0.082	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@]12CCCC[C@H]1OCC2	2284150998	NWUXECKFPHINKU-ZYHUDNBSSA-N	306.359	0.350	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@]12CCC[C@@H](C1)OC2	2287078558	POKUWQWTNCXSLQ-SCVCMEIPSA-N	306.359	0.350	70	10	DCIE	
CO[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2287065724	PURATIOJSDLSNX-OUAUKWLOSA-N	308.375	0.596	70	10	DCIE	
C[C@H](CCCN1C[C@H]2CS(=O)(=O)[C@H]2C1)S(=O)(=O)Cl	2314955266	DRBJVRZSZQBLAO-UTLUCORTSA-N	315.844	0.453	70	10	DCIE	
COCCNC(=O)COc1ccc(S(=O)(=O)Cl)cc1	215942398	RCSSQMUMXDFNHC-UHFFFAOYSA-N	307.755	0.756	70	10	DCIE	
Cc1cccc(S(=O)(=O)NCC2CN(S(=O)(=O)F)C2)c1	2164438959	SYSVJBLDBNYFBN-UHFFFAOYSA-N	322.383	0.419	70	10	DCIE	
COc1nn(CC2(C)COC2)c(OC)c1S(=O)(=O)Cl	1898495790	CHSGLNJQXVELHD-UHFFFAOYSA-N	310.759	0.864	70	10	DCIE	
CCOC(=O)c1cnn([C@@H]2CCOC2)c1S(=O)(=O)Cl	388905752	UYYXWXMXFAGMRX-SSDOTTSWSA-N	308.743	0.949	70	10	DCIE	
CC#CCN(C)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1717489110	JASSRRFFRFNQCO-SNVBAGLBSA-N	315.370	0.746	70	10	DCIE	
CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](S(=O)(=O)F)C1	1968235695	NVJAXFOKKHCHSV-VIFPVBQESA-N	308.375	0.439	70	10	DCIE	
Cc1cnc(C(=O)NCC2CN(S(=O)(=O)F)C2)c(C)c1	1974055766	VZKOKCRGRHMRKL-UHFFFAOYSA-N	301.343	0.574	70	10	DCIE	
O=C([C@@H]1[C@@H]2CCC(F)(F)[C@@H]21)N1CCN(S(=O)(=O)F)CC1	2170852847	ADCFPVKDEVPASB-YIZRAAEISA-N	312.313	0.636	70	10	DCIE	
CO[C@@]1(C)C[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	694416749	NLWSMKXXWRUZAK-KOLCDFICSA-N	306.771	0.860	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccc(F)cc1O	2164429896	CVYNSCATMMNVBP-UHFFFAOYSA-N	306.290	0.407	70	10	DCIE	
Cc1nc(N2CCO[C@@H]3COCC[C@H]32)ncc1[B-](F)(F)F	2172764371	BSCGKPLNYBQBDJ-GHMZBOCLSA-N	302.085	0.834	70	10	DCIE	
CCn1c([C@H]2Cc3nnc(C)n3C2)nnc1S(=O)(=O)Cl	2167748322	PQZYURCVGYOHSX-ZETCQYMHSA-N	316.774	0.465	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1Cc1cnn(C)n1	2182343811	LTBZLSVBLVQURI-UHFFFAOYSA-N	319.774	0.524	70	10	DCIE	
O=C(NCC(=O)N1CC(CS(=O)(=O)F)C1)c1cccs1	2199696745	XTCSYXWIFRBLPM-UHFFFAOYSA-N	320.367	0.236	70	10	DCIE	
CC(C)N1C[C@@H](C(=O)N2CC(CS(=O)(=O)F)C2)CC1=O	2199682085	CUVXDIBHAUJXFX-JTQLQIEISA-N	306.359	0.001	70	10	DCIE	
CSC1CC(C(=O)NC2CCN(S(=O)(=O)F)CC2)C1	2268806805	FPCIOZFADUEPIB-UHFFFAOYSA-N	310.416	0.923	70	10	DCIE	
CCc1ncncc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287066271	AKRKLJKLKNPZQI-MRVPVSSYSA-N	302.331	0.057	70	10	DCIE	
CN1CCC[C@H](CC(=O)N2CCN(S(=O)(=O)F)CC2)C1	2163657255	WFJJEDMRFZCAFR-LLVKDONJSA-N	307.391	0.077	70	10	DCIE	
C[C@H](O)CN(C)CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1268250771	HTWHQSZSCHWQOW-VIFPVBQESA-N	321.374	0.058	70	10	DCIE	
CCCNC(=O)NC(=O)CN1CCC[C@@H](c2nncn2CC)C1	161330459	LOUREMMEKSJFRH-GFCCVEGCSA-N	322.413	0.713	70	10	DCIE	
CNc1ncc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)s1	161466574	UDHZYKHSZGQLDM-VIFPVBQESA-N	320.378	0.454	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cccc([C@@H](C)N)c2)CCOC1	160661625	UXRIFJOUIFIZSW-RISCZKNCSA-N	314.407	0.790	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@@H](C(=O)OC)C(C)C)cc1N	159606145	SLGPBLITQSLCJP-GFCCVEGCSA-N	315.395	0.786	70	10	DCIE	
CN(C)CCn1ncc(N(C)[C@H]2CCCNC2)c(Cl)c1=O	159418086	YFLRRFKUTDAGBY-NSHDSACASA-N	313.833	0.647	70	10	DCIE	
CCOc1cc(N)cc(C(=O)NC2CCS(=O)(=O)CC2)c1	159648797	TZMMIUQPLRPJRA-UHFFFAOYSA-N	312.391	0.975	70	10	DCIE	
Cc1ncnc(N(C)CCN(C)C2COC2)c1[B-](F)(F)F	2173115039	RRDVIHJWKAGBQR-UHFFFAOYSA-N	303.117	0.606	70	10	DCIE	
Cc1ccnnc1C(=O)NC1CCN(S(=O)(=O)F)CC1	2192719649	LMKGFIUJXWIHKD-UHFFFAOYSA-N	302.331	0.194	70	10	DCIE	
O[C@H](CN1CCOCC1)CN1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2194168850	AGESCTLQVBXECK-UPJWGTAASA-N	307.145	0.993	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C[C@H]2C2CCC2)[nH]1	2199944334	ZKXZEVXAXBXQIY-IUCAKERBSA-N	301.343	0.875	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(OCCN2CCOC[C@@H]2C)n1	2285427782	DQFHMOMIZVPFQZ-VIFPVBQESA-N	304.101	0.939	70	10	DCIE	
Cc1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c(C)n1	2287071069	HJVAFJSQQAIWAF-JTQLQIEISA-N	301.343	0.717	70	10	DCIE	
Cc1ccc(OCC(=O)NC(N)=O)c(S(=O)(=O)Cl)c1	215631299	KRMKGFUJPJZHHR-UHFFFAOYSA-N	306.727	0.496	70	10	DCIE	
COCCOCNC(=O)Nc1ccc(S(N)(=O)=O)cc1	217310943	OXGHZTWWARJVIE-UHFFFAOYSA-N	303.340	0.076	70	10	DCIE	
CC(C)(C)OC(=O)N1CC(N(C2COC2)S(=O)(=O)F)C1	1954657131	VMWLSFVOAFEVMO-UHFFFAOYSA-N	310.347	0.521	70	10	DCIE	
CN(c1ncc(F)cc1[B-](F)(F)F)[C@H]1CCS(=O)(=O)C1	2132073936	RPLUZCMLSSYPKK-QMMMGPOBSA-N	311.089	0.898	70	10	DCIE	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2[C@H](C)C[C@@H]3CNC[C@@H]32)C1	217809974	LFIDAKGSQPTTGG-ITGHMWBKSA-N	301.456	0.891	70	10	DCIE	
C[C@H](CO)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1	217933987	BOZSYGXWSMTESC-CYBMUJFWSA-N	312.435	0.951	70	10	DCIE	
C[S@](=O)CCNC(=O)c1ccccc1S(=O)(=O)Cl	310592460	FYVMXHNZILZSBO-KRWDZBQOSA-N	309.796	0.722	70	10	DCIE	
COc1ccccc1N1C[C@H](C(=O)NC2(CO)CC2)CC1=O	160253172	VTRBTTBSNIPKLR-LLVKDONJSA-N	304.346	0.689	70	10	DCIE	
CC(=O)c1cc(C(=O)NC[C@H](O)CN2CCCCC2)n(C)c1	160551158	GNKHFLAZLJAOCH-AWEZNQCLSA-N	307.394	0.804	70	10	DCIE	
CCS(=O)(=O)[C@H]1CSCCN1CCOC1(C)CNC1	161299573	FJTPXRLUDYNTQL-NSHDSACASA-N	308.469	0.175	70	10	DCIE	
Cc1nc(S(=O)(=O)CCS(=O)(=O)Cl)n2c1CCC2	2057913414	WOYAJQIBOIJYEG-UHFFFAOYSA-N	312.800	0.480	70	10	DCIE	
C[C@H](CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)P(C)(C)=O	2271503492	SBCOMHWVIQZWGF-RKDXNWHRSA-N	314.319	0.793	70	10	DCIE	
Cc1ncnc(OCCN2CCOC[C@H]2C)c1[B-](F)(F)F	2285422276	LAKLBMXAWHRSTA-SECBINFHSA-N	304.101	0.939	70	10	DCIE	
Cc1ccc(OCNC(=O)NCCN2CCNCC2)cc1C	217293023	IFSCLUPKLXRTHA-UHFFFAOYSA-N	306.410	0.844	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nccn2ccnc12	2217734932	XPUZEINYXRHJNB-UHFFFAOYSA-N	309.756	0.072	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCCOCCOC)cc1N	159608042	VNHBEKBEODBXDX-UHFFFAOYSA-N	303.384	0.252	70	10	DCIE	
Cc1nc([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)no1	1519164882	KYUBCOXFMHJLMM-YFKPBYRVSA-N	302.287	0.855	70	10	DCIE	
Cc1cc(F)ccc1S(=O)(=O)N1CC(S(=O)(=O)F)C1	2134975653	RAHGRCWMJOIGNY-UHFFFAOYSA-N	311.331	0.806	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1nc(Cl)nc(OCC)n1	160257445	ZOJYMVGZTQHCLO-MRVPVSSYSA-N	315.761	0.265	70	10	DCIE	
NC(=S)c1cc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)ccn1	160305161	RQFKXUPNHAKRBU-VXGBXAGGSA-N	304.419	0.816	70	10	DCIE	
Cn1cc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)c(C(F)F)n1	1968234705	FADRNAUCUSWALE-LURJTMIESA-N	311.285	0.872	70	10	DCIE	
CCN(c1cnn(CCO)c(=O)c1Cl)[C@H]1CCCNC1	159431714	UJPMRWKPLNAIHK-JTQLQIEISA-N	300.790	0.467	70	10	DCIE	
CNS(=O)(=O)c1ccc(OCC(C)(C)N(C)C)cc1N	159673774	XDBIUTORJDVRIA-UHFFFAOYSA-N	301.412	0.896	70	10	DCIE	
CC(C)Cn1c(CCn2ccnn2)nnc1S(=O)(=O)Cl	2146564699	YHPNYEPNRHPHHK-UHFFFAOYSA-N	318.790	0.696	70	10	DCIE	
COc1nsc(OC)c1[C@@H]1CC(=O)N1S(=O)(=O)Cl	2027483860	SULFHMZFCSJDJO-BYPYZUCNSA-N	312.756	0.917	70	10	DCIE	
Cc1ccnc(N2C[C@H]3OCCN(C)[C@@H]3C2)c1[B-](F)(F)F	2172783294	CNDNNOLQXXLIBZ-GHMZBOCLSA-N	300.113	0.964	70	10	DCIE	
CN(C[C@H]1CCCCS1(=O)=O)c1ncncc1[B-](F)(F)F	2172771632	CKBZIWRRKFBTIY-SECBINFHSA-N	322.141	0.935	70	10	DCIE	
Cc1csc(=O)n1CC(=O)N1CC[C@H](S(=O)(=O)F)C1	2088471559	IRGKMAFQOHYGBG-QMMMGPOBSA-N	308.356	0.118	70	10	DCIE	
Cc1[nH]nc(C(=O)OC[C@@H]2CCN(C)C2)c1S(=O)(=O)Cl	2237152026	LESHCVUZPIPGAR-MRVPVSSYSA-N	321.786	0.754	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)C1C2(CCC2)C12CCC2	2284150362	JEGFSKLOVWGLJJ-UHFFFAOYSA-N	302.371	0.972	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1CCC[C@@H]1C(F)F	2285619459	KKSCBXSDBRHIAD-IUCAKERBSA-N	314.329	0.930	70	10	DCIE	
C[C@]1(C(F)(F)F)C[C@H]1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287080540	SEWRYDKYRBVODA-ZKWXMUAHSA-N	318.292	0.980	70	10	DCIE	
NCc1ccc(CNc2cnn(CCO)c(=O)c2Cl)cc1	159839412	NRVAHMYNVBCPLQ-UHFFFAOYSA-N	308.769	0.960	70	10	DCIE	
CCS(=O)(=O)[C@@H]1CSCCN1C(=O)N[C@H]1CCOC1	160662860	KKVYHIZKXZZKMS-VHSXEESVSA-N	308.425	0.295	70	10	DCIE	
CCN[C@H](C)c1cccc(S(=O)(=O)NCCNC(N)=O)c1	160938997	KRTUUSUJYHXCIS-SNVBAGLBSA-N	314.411	0.304	70	10	DCIE	
NC(=O)NCCNC[C@H](O)COc1ccc(Cl)c(Cl)c1	160965396	JCCCLYIVTKDOQK-QMMMGPOBSA-N	322.192	0.991	70	10	DCIE	
Cc1cc(CN2CCN(CCCCS(C)(=O)=O)CC2)no1	161243773	FUXXUPJBQBCTHO-UHFFFAOYSA-N	315.439	0.925	70	10	DCIE	
COCCCNC(=O)Cn1nc(C)c(S(=O)(=O)Cl)c1C	215843437	ZGPZMKMLZHLPIU-UHFFFAOYSA-N	323.802	0.580	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CC(=O)NCC(F)(F)F	215872684	NSDYLAWJDOBOSS-UHFFFAOYSA-N	319.692	0.798	70	10	DCIE	
O=[N+]([O-])c1nn(CCN2CCCC2)cc1S(=O)(=O)Cl	215929542	HPWRSGIPVFOUTB-UHFFFAOYSA-N	308.747	0.815	70	10	DCIE	
CCN(CC)CCCNS(=O)(=O)N1CCC[C@H](CO)C1	218641539	FAUPIRVRGNJZQG-ZDUSSCGKSA-N	307.460	0.257	70	10	DCIE	
COCCn1c([C@H]2CCN(C)C2)nnc1S(=O)(=O)Cl	386313593	MHZPOJLDRLVKDW-QMMMGPOBSA-N	308.791	0.271	70	10	DCIE	
CCCOCCNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	714977260	RKDNZVAXIIHUSU-UHFFFAOYSA-N	309.775	0.802	70	10	DCIE	
O=C1C[C@]2(CCCS(=O)(=O)CC2)N1S(=O)(=O)Cl	822189949	TWZCEJNEGBQJLJ-MRVPVSSYSA-N	301.773	0.040	70	10	DCIE	
C#CCCN[C@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1317407824	YZSUKUUXDDHDLI-SNVBAGLBSA-N	315.370	0.794	70	10	DCIE	
C[C@@H](CCNCCCO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1497267225	GHTCFUXCNIWKEY-VIFPVBQESA-N	321.374	0.153	70	10	DCIE	
CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(S(=O)(=O)F)[C@H]2C1	1886614222	JUKKVEULVSWALL-UWVGGRQHSA-N	324.374	0.911	70	10	DCIE	
O=C(O)c1cc(OS(=O)(=O)F)cc(S(=O)(=O)F)c1	1887510986	KLNNNJIJYRYTHR-UHFFFAOYSA-N	302.232	0.636	70	10	DCIE	
Cn1cc(C(=O)N2CC(S(=O)(=O)F)C2)c(C(F)(F)F)n1	1968216379	XSGBGWUWOXHCBC-UHFFFAOYSA-N	315.248	0.563	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12	2054286345	ZNORUPAMBXFECY-OWUUHHOZSA-N	315.844	0.168	70	10	DCIE	
Cc1ccc(S(=O)(=O)N2CC(CCS(=O)(=O)F)C2)o1	2134975045	NGARKVJBJSAWFO-UHFFFAOYSA-N	311.356	0.898	70	10	DCIE	
COc1cnccc1C(=O)N1CCN(S(=O)(=O)F)CC1	2163654394	CXWVZIAFBZVABW-UHFFFAOYSA-N	303.315	0.062	70	10	DCIE	
CN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)nc2)CC1=O	2166541935	CZVVAPCGQVFZPZ-ZETCQYMHSA-N	301.299	0.157	70	10	DCIE	
COCC(COC)CC(=O)N1CCC(S(=O)(=O)F)CC1	2187436333	HICCQJIYEMTWED-UHFFFAOYSA-N	311.375	0.576	70	10	DCIE	
O=C([C@@H]1CN2CCN1CC2)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2194130135	NUKTZVOZVLYQLD-GVXVVHGQSA-N	302.129	0.826	70	10	DCIE	
O=C(CCc1ccc(O)cc1)NC1CN(S(=O)(=O)F)C1	2284153300	KEESNRQQMYORND-UHFFFAOYSA-N	302.327	0.340	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cn1)[C@H]1CC[C@@H](S(C)(=O)=O)C1	2361708124	HALRKWSSKFGRQB-VHSXEESVSA-N	322.141	0.933	70	10	DCIE	
CC(C)N1C[C@H](NC(=O)NC(=O)c2ccc(N)cc2)CC1=O	217288825	CZHFLPUIJSAONQ-GFCCVEGCSA-N	304.350	0.718	70	10	DCIE	
COCCOCNC(=O)Nc1nc2c(s1)CN(C)CC2	217311130	XUEDPLYNQIDSGM-UHFFFAOYSA-N	300.384	0.873	70	10	DCIE	
COc1cc(S(=O)(=O)F)c(Cl)cc1C(=O)NCC(N)=O	1349809329	GGHXAJIRNJQKBM-UHFFFAOYSA-N	324.717	0.222	70	10	DCIE	
CCn1c(=O)n(C)c(=O)c2cc(S(=O)(=O)Cl)ccc21	105659313	HAZLFLZREIHZGA-UHFFFAOYSA-N	302.739	0.648	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)[C@@H]2CCOC2)c1S(=O)(=O)Cl	161851926	MUWRJRFLXIPZER-SSDOTTSWSA-N	307.759	0.507	70	10	DCIE	
CNS(=O)(=O)c1ccc(NC[C@@H]2CCC[C@H]2CO)cc1N	159645431	MWMZUOAOIJTFPY-QWRGUYRKSA-N	313.423	0.997	70	10	DCIE	
CCN(CC(=O)N(C)C)c1ccc(S(=O)(=O)NC)c(N)c1	159578892	GDSUTJKHBBYZII-UHFFFAOYSA-N	314.411	0.091	70	10	DCIE	
C[C@@H](C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F)[C@H]1CCCO1	1923164369	UROITCVVFCDANI-HTQZYQBOSA-N	305.331	0.254	70	10	DCIE	
CO[C@@]1(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)CCCOC1	1973214891	NPFCZHLGXVZPTF-PWSUYJOCSA-N	309.359	0.472	70	10	DCIE	
CCOc1cc(N)cc(C(=O)NCCCS(N)(=O)=O)c1	159709675	FPOFZDJIWXGBQT-UHFFFAOYSA-N	301.368	0.076	70	10	DCIE	
CC(C)Cn1ncc(NC[C@H]2CNCCO2)c(Cl)c1=O	159977057	DZGYKUISPTYNFJ-SNVBAGLBSA-N	300.790	0.953	70	10	DCIE	
C#CCNC(=O)CNS(=O)(=O)c1ccc(CCCl)cc1	51158345	BKAOPVQBMDNIFA-UHFFFAOYSA-N	314.794	0.496	70	10	DCIE	
O=S(=O)(Cl)CCCCN1C[C@@H]2CCS(=O)(=O)[C@H]2C1	2028433636	VLFSUZFENMYDDM-UWVGGRQHSA-N	315.844	0.454	70	10	DCIE	
O=S(=O)(Cl)CCOCCOCC1COCCOC1	2083338356	KGXOTUXEDJBLDB-UHFFFAOYSA-N	302.776	0.251	70	10	DCIE	
O=C([C@@H]1OCC[C@@H]1C(F)(F)F)N1CC[C@H](S(=O)(=O)F)C1	2240536289	PCZYXNCHVTUERY-BIIVOSGPSA-N	319.276	0.854	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cnc(Cl)cn1	2271496128	UIRHSXNRKFQTMX-ZCFIWIBFSA-N	308.722	0.148	70	10	DCIE	
C[C@@H]1CC[C@H](S(C)(=O)=O)CN1c1ncncc1[B-](F)(F)F	2279413640	HANBLYRVGWRZJZ-BDAKNGLRSA-N	322.141	0.933	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cnc(F)c(F)c1	2287076953	UQOGGRPLDOUDJZ-ZETCQYMHSA-N	309.269	0.378	70	10	DCIE	
COC1(CN(C)C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)CC1	2167870838	OIQSHCWLYVCKDB-UHFFFAOYSA-N	321.786	0.897	70	10	DCIE	
C#CCN[C@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1275491854	KBHSFACHSNYQRM-RKDXNWHRSA-N	301.343	0.403	70	10	DCIE	
O=S(=O)(Nc1cc(F)ccc1F)c1cnn(CCO)c1	217440955	QXJYHAAZUFOAPN-UHFFFAOYSA-N	303.290	0.954	70	10	DCIE	
C[C@@H](CO)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1	217933913	BOZSYGXWSMTESC-ZDUSSCGKSA-N	312.435	0.951	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(C)c(Cl)c(N)c1	218120940	WHSLTKWSLQHCLF-UHFFFAOYSA-N	319.814	0.987	70	10	DCIE	
COc1cnc(C(=O)Nc2ncc(S(=O)(=O)F)s2)nc1	1534603011	CVRRVPPFSQXHON-UHFFFAOYSA-N	318.311	0.852	70	10	DCIE	
CC(C)(C)OC(=O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1538381348	GPLSHINWWUECIL-UHFFFAOYSA-N	306.315	0.744	70	10	DCIE	
C#CCNCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1485739621	WPDXWQAXHVFPCS-SNVBAGLBSA-N	315.370	0.794	70	10	DCIE	
C[C@@H]1OCC[C@@H]1N(C)C(=O)c1ccc(S(N)(=O)=O)cc1F	160509288	KLGDKEAAKNRJGH-UFBFGSQYSA-N	316.354	0.723	70	10	DCIE	
COCC12CC(c3nnc(S(=O)(=O)Cl)n3C)(CO1)C2	2141138024	QHJIIQHUXIBHSC-UHFFFAOYSA-N	307.759	0.190	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cncc(Cl)c1	1974059971	QHTJJSODTBWNQF-UHFFFAOYSA-N	307.734	0.611	70	10	DCIE	
C[C@H](CCCN1CC(CS(C)(=O)=O)C1)S(=O)(=O)Cl	2041509331	RVVXMGYKRXLIHQ-SECBINFHSA-N	317.860	0.700	70	10	DCIE	
Cc1nc(N(C)C[C@@H]2CN(C)CCO2)ncc1[B-](F)(F)F	2172768302	HDUFWGZSFCOXTP-JTQLQIEISA-N	303.117	0.606	70	10	DCIE	
O=S1(=O)CCC[C@@]12CCN(c1ncc([B-](F)(F)F)cn1)C2	2172782083	MQBLPPVBWCTCKK-NSHDSACASA-N	320.125	0.689	70	10	DCIE	
Cc1ccnc(N(C)CCS(=O)(=O)N(C)C)c1[B-](F)(F)F	2172776121	LPBRBESADCQKHB-UHFFFAOYSA-N	324.157	0.772	70	10	DCIE	
CS(=O)(=O)N1CCC[C@@H](Oc2ncncc2[B-](F)(F)F)C1	2285601453	XEBGPYUGKIANCP-MRVPVSSYSA-N	324.113	0.334	70	10	DCIE	
CC[C@H]1CC[C@@H](O)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217972866	FOIQKGQDNYPJKW-BFHYXJOUSA-N	304.456	0.751	70	10	DCIE	
CN(CCOCCNC(=O)OC(C)(C)C)S(=O)(=O)F	1953572316	BSYPIOPJLOQEFV-UHFFFAOYSA-N	300.352	0.674	70	10	DCIE	
O=S(=O)(Cl)C[C@]12C[C@@H]1CO[C@]21CCS(=O)(=O)C1	958532252	DZOZCYJUKBHQTO-HLTSFMKQSA-N	300.785	0.149	70	10	DCIE	
O=S(=O)(Cl)C[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1	958678124	BLXBHYINTACJEU-DTWKUNHWSA-N	302.801	0.539	70	10	DCIE	
N#CCNC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1699666629	NUSSSWMYVKMHMY-UHFFFAOYSA-N	300.315	0.048	70	10	DCIE	
COC(=O)Cn1ncc(N2CC[C@@H]([C@H](C)N)C2)c(Cl)c1=O	160003444	ONCUYSHAAUKGMT-DTWKUNHWSA-N	314.773	0.243	70	10	DCIE	
CCOC(=O)c1nnn(CC(=O)NC(=O)OC)c1C(F)F	159563519	ZMYLSKCORCNBKP-UHFFFAOYSA-N	306.225	0.275	70	10	DCIE	
CCCn1c(-c2ccc(=O)[nH]n2)nnc1S(=O)(=O)Cl	233408616	VFMDGWAXJRVNMA-UHFFFAOYSA-N	303.731	0.366	70	10	DCIE	
O=C([C@@H]1CCn2nccc2C1)N1CC[C@H](S(=O)(=O)F)C1	2165273374	LCFSZAZFEHTYKO-KOLCDFICSA-N	301.343	0.346	70	10	DCIE	
CO[C@@H]1CC(C(=O)N2CC[C@H](S(=O)(=O)F)C2)C[C@H]1OC	2174879115	ALFNRVXFDMXQIF-HBNTYKKESA-N	309.359	0.327	70	10	DCIE	
Cc1cc(C(=O)N2CC(CCS(=O)(=O)F)C2)nc(C)n1	2199697012	JIPYOJREVNYPGG-UHFFFAOYSA-N	301.343	0.855	70	10	DCIE	
COC[C@]1(C)C[C@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	2284685154	YYOFLQYPLHFFLQ-JQWIXIFHSA-N	308.375	0.454	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC[C@H]2[C@H]1C2(F)F	2287069678	BWODEWYCZXHGPQ-HXFLIBJXSA-N	312.313	0.683	70	10	DCIE	
CO[C@H]1CCC[C@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	115799923	UEUOTYZSJKERCL-SFYZADRCSA-N	321.786	0.943	70	10	DCIE	
CC[C@H]1CC[C@H](N)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217971020	DDBMJXZRRGYWKV-MJBXVCDLSA-N	303.472	0.717	70	10	DCIE	
O=S(=O)(F)c1ccccc1NS(=O)(=O)c1cn[nH]c1	228315102	ISSBQJQRNXBFQK-UHFFFAOYSA-N	305.312	0.869	70	10	DCIE	
CC[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)F)nc1	2166522680	ABJQAOYFMYGLMF-SECBINFHSA-N	303.315	0.593	70	10	DCIE	
CNC(=O)c1ccc(S(=O)(=O)NC2(C)CCOCC2)cc1	161039490	WZOQYXSLFMAGRV-UHFFFAOYSA-N	312.391	0.894	70	10	DCIE	
Cc1nc2n(n1)C[C@@H](NC(=O)c1cnc3c(c1)ncn3C)CC2	160336430	FLWSQIFCTYJTLD-NSHDSACASA-N	311.349	0.613	70	10	DCIE	
CCCNc1snnc1CN1CCOC[C@@H]1C(=O)NCC	160372909	HOCQBHPXDJHSOM-LLVKDONJSA-N	313.427	0.697	70	10	DCIE	
Cc1ccc(-n2nnnc2N2CCS(=O)(=O)[C@H](C)C2)cc1	160767523	CNHCJDMAJDBUIH-LLVKDONJSA-N	307.379	0.594	70	10	DCIE	
CNCC[C@H]1CCCCN1c1cnn(CCO)c(=O)c1Cl	159539095	UWWLXBXYLFVKLZ-LLVKDONJSA-N	314.817	0.857	70	10	DCIE	
C[C@@H]1C[C@H](C(=O)NCC2CN(S(=O)(=O)F)C2)CCS1	1974055190	NUDSCDRVQPVEDM-PSASIEDQSA-N	310.416	0.780	70	10	DCIE	
CS(=O)(=O)CC[C@@H]1OC2CC1(CS(=O)(=O)Cl)C2	1998873724	DABAEVXQWPDJQL-MGURRDGZSA-N	302.801	0.537	70	10	DCIE	
Cc1ncnc(N(C)C[C@H]2CCCS2(=O)=O)c1[B-](F)(F)F	2172766810	LXVZUIMCRGFKSD-SECBINFHSA-N	322.141	0.853	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCOC3(CCOCC3)C2)nc1	2172784985	RWHPGHBJBQTEHP-UHFFFAOYSA-N	302.085	0.917	70	10	DCIE	
COc1nc(N(C)Cc2nccn2C)ncc1[B-](F)(F)F	2172765695	VGAHNHOPOUWXFJ-UHFFFAOYSA-N	300.073	0.910	70	10	DCIE	
CS(=O)(=O)[C@H]1CCC[C@@]2(CC(=O)N2S(=O)(=O)Cl)C1	2042646043	IESRUBPWILZVIV-CBAPKCEASA-N	315.800	0.428	70	10	DCIE	
COC(=O)[C@H](COC(=O)n1ccnc1)NC(=O)OC(C)(C)C	218347642	FBCHZZXJJZRMSG-VIFPVBQESA-N	313.310	0.934	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CC(=O)N(C)C1CC1	215710366	WKAGALSBSHTFPV-UHFFFAOYSA-N	305.787	0.994	70	10	DCIE	
O=C1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)F)nc2)CN1	2166518314	CUJICENJOLTOED-ZETCQYMHSA-N	301.299	0.205	70	10	DCIE	
Cc1n[nH]cc1S(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2166519702	ROBLURNCYNHECF-UHFFFAOYSA-N	320.327	0.572	70	10	DCIE	
O=C(NC[C@@H]1CCCN(S(=O)(=O)Cl)C1)C(F)(F)F	1953572998	GGDSNLZVAWJBBT-LURJTMIESA-N	308.709	0.861	70	10	DCIE	
COCc1cc(S(=O)(=O)Cl)n(CCS(C)(=O)=O)n1	203535412	WHTZSGZRKZYXQO-UHFFFAOYSA-N	316.788	0.002	70	10	DCIE	
O=C1OC[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)F)c3)C[C@H]12	1543683724	YGEPGIDDQOUIRL-ONGXEEELSA-N	313.306	0.590	70	10	DCIE	
CO[C@H](C)CNC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1716452750	ASXQNRJKCSCQIR-DTWKUNHWSA-N	321.374	0.416	70	10	DCIE	
CC(=O)N(C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1735162329	CJXXEXAVEDYFHD-ZETCQYMHSA-N	305.331	0.270	70	10	DCIE	
O=C(N[C@@H]1CCc2ncnn2C1)N[C@@H]1c2ccccc2C[C@H]1O	161146247	CWXJYVHEHHLFDQ-UXIGCNINSA-N	313.361	0.550	70	10	DCIE	
CNc1cc(S(=O)(=O)NCCCCOCCOC)ccn1	160013452	WDKHZAFZXDSOJN-UHFFFAOYSA-N	317.411	0.845	70	10	DCIE	
COCCNC[C@@H]1CCc2nc(CS(C)(=O)=O)ncc2C1	160075933	QBSXGLUQKWWSNI-LLVKDONJSA-N	313.423	0.362	70	10	DCIE	
CCN1CC[C@@H](CNc2ccc(S(=O)(=O)NC)c(N)c2)C1	159581005	OIMHKCZREJALRW-NSHDSACASA-N	312.439	0.931	70	10	DCIE	
O=C(N1CCN(S(=O)(=O)F)CC1)C1(C(F)(F)F)CC1	1974001255	PYLMEANLJRBCAJ-UHFFFAOYSA-N	304.265	0.687	70	10	DCIE	
Cc1ncnc(N2CCN3CCOC[C@@H]3C2)c1[B-](F)(F)F	2185882366	NRSGOWNSSRWLFY-JTQLQIEISA-N	301.101	0.360	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@@H]1C(F)(F)F	2232576296	IXTKEQBKUHSHMM-SFYZADRCSA-N	318.292	0.837	70	10	DCIE	
NC(=S)c1ccccc1OC[C@@H](O)CN1CCC[C@@H](O)C1	218448043	MXCUUGYWLIQCHQ-NEPJUHHUSA-N	310.419	0.517	70	10	DCIE	
CN(C)CCN(C(=O)Nc1ccco1)[C@H]1CCS(=O)(=O)C1	217271991	RIXSCLVIXULNPU-NSHDSACASA-N	315.395	0.862	70	10	DCIE	
CC(C)(C)OC(=O)NCC(=O)N1CC(CCS(=O)(=O)F)C1	1897482337	ULLCAQUIOWJHSF-UHFFFAOYSA-N	324.374	0.659	70	10	DCIE	
O=S(=O)(F)N1CCN(S(=O)(=O)[C@H]2CCC[C@H]2F)CC1	2118895260	NEBGLJVWLISNNK-BDAKNGLRSA-N	318.367	0.039	70	10	DCIE	
CCN1CCC[C@H]1CNS(=O)(=O)c1csc(CN)c1	217518485	UGCRSGBINCVGOB-JTQLQIEISA-N	303.453	0.969	70	10	DCIE	
CN(CCF)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1479796480	IHJKPBXTQHOYLR-UHFFFAOYSA-N	309.338	0.694	70	10	DCIE	
COc1ccc(NC(=O)[C@H]2OCC[C@@H]2C)cc1S(N)(=O)=O	160251211	VCHVBUIVQDBJMV-UFBFGSQYSA-N	314.363	0.706	70	10	DCIE	
CC(=O)c1cc(C(=O)NC[C@H]2CN(C3CC3)CCO2)n(C)c1	160444849	ZPYHKFHKIXPWOX-AWEZNQCLSA-N	305.378	0.821	70	10	DCIE	
COC[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)N(C)CCC2	160922550	RKYAETLSSJYFSX-LBPRGKRZSA-N	314.407	0.355	70	10	DCIE	
CC(C)Cn1ncc(N2CCN(C)C[C@@H]2CN)c(Cl)c1=O	159816977	CBUSPMLPTPNDFD-NSHDSACASA-N	313.833	0.632	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1C2C[C@@H]3C1[C@@H]3C2	1974394250	GFCIXILFVFONBW-PGHDVYHZSA-N	302.371	0.683	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1CCCC(C)(C)C(N)=S	159815960	GHSLEAJBNUONTH-LLVKDONJSA-N	301.456	0.916	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CC(=O)N(C)C1	687223398	BMLHBCGDLRQNQH-QMMMGPOBSA-N	305.787	0.851	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N(C)[C@@H]2CCS(=O)(=O)C2)n1	2172767667	XEOXKBSGXWHSNW-SECBINFHSA-N	322.141	0.771	70	10	DCIE	
CN1C(=O)C[C@H](Oc2ccc(F)cc2S(=O)(=O)F)C1=O	2191426789	UMDQOMQKKMBSPA-QMMMGPOBSA-N	305.258	0.620	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(OC[C@H](C)N2CCOCC2)n1	2186850870	UDKUBYNWMPZBHY-VIFPVBQESA-N	304.101	0.939	70	10	DCIE	
O=C(N1CCC[C@H](S(=O)(=O)F)C1)[C@]12CO[C@](CF)(C1)C2	2202593385	VHRBLKSATSMYCS-DLOVCJGASA-N	309.334	0.795	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1O[C@H]1CCN(S(C)(=O)=O)C1	2285600966	UAGRDALKJGYWMD-JTQLQIEISA-N	323.125	0.857	70	10	DCIE	
COCC1(C(=O)N2CC(S(=O)(=O)F)C2)CC(F)(F)C1	2278154361	VMGAMQKCPWEHBX-UHFFFAOYSA-N	301.286	0.558	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccc(F)cc1F	2287076188	QRZAOLKJWSVDOQ-MRVPVSSYSA-N	308.281	0.983	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cnn(C2CC2)c1	2287064967	HVFRWZVBALAXSE-VIFPVBQESA-N	302.331	0.236	70	10	DCIE	
CC(C)N1CCO[C@H](Cn2cc(S(=O)(=O)Cl)cn2)C1	215885737	MIWDWBYRCBJZPX-JTQLQIEISA-N	307.803	0.920	70	10	DCIE	
CCCc1nnsc1C(=O)NC[C@H](O)Cn1ccccc1=O	218430186	QCOUQIJEMFDYBG-JTQLQIEISA-N	322.390	0.443	70	10	DCIE	
CN(C)C(=O)CCCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215905927	AKKFJHXFEIVYMI-UHFFFAOYSA-N	324.746	0.587	70	10	DCIE	
O=C([C@@H]1COC2(CCC2)CO1)N1CC[C@@H](S(=O)(=O)F)C1	2364157209	ODTQJDDURQZHEN-ZJUUUORDSA-N	307.343	0.225	70	10	DCIE	
CCNCC1CCN(S(=O)(=O)NCCCN(C)C)CC1	217419085	FQCXDTAJADQXAA-UHFFFAOYSA-N	306.476	0.094	70	10	DCIE	
C/C=C(\C)C(=O)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1703143432	MUDVDCOZDNRWKI-FPYGCLRLSA-N	317.342	0.485	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)[nH]1	1923144549	QYMCQSQQJYXGMJ-GJMOJQLCSA-N	303.315	0.006	70	10	DCIE	
CC1(OCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)CNC1	161107055	ZKJNGXIKTREJGS-UHFFFAOYSA-N	316.354	0.546	70	10	DCIE	
CCNS(=O)(=O)c1ccccc1NCCNC(=O)C1CC1	160816709	GZQNIJCZALNJEA-UHFFFAOYSA-N	311.407	0.923	70	10	DCIE	
O=C([C@@H]1OC[C@H]2CCC[C@H]21)N1CCN(S(=O)(=O)F)CC1	2233186759	OAISDMHNVXVFIF-GMTAPVOTSA-N	306.359	0.160	70	10	DCIE	
CS(=O)(=O)C1CC(COC(=O)NS(=O)(=O)Cl)C1	2307567206	OOOAESRJWCLPPM-UHFFFAOYSA-N	305.761	0.019	70	10	DCIE	
C[C@H](C(=O)N1CC(S(=O)(=O)F)C1)N(C)C(=O)OC(C)(C)C	1897480831	GJHAFFRUKGSRKA-MRVPVSSYSA-N	324.374	0.752	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2COC[C@H]2C)c1S(=O)(=O)Cl	699809698	HVMPSMPPMVCUGW-IYSWYEEDSA-N	307.759	0.410	70	10	DCIE	
C#CCOCCOCCn1cc(S(=O)(=O)Cl)nc1C	2133404601	HKAWCGAREBTURC-UHFFFAOYSA-N	306.771	0.785	70	10	DCIE	
C#CCNCC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1568679461	OARJNWZQVWINQD-VIFPVBQESA-N	301.343	0.404	70	10	DCIE	
CC[C@H](COc1ncn(-c2ccccc2)n1)CS(N)(=O)=O	161360441	GUZRGMQYKMMRQB-LLVKDONJSA-N	310.379	0.961	70	10	DCIE	
C[C@]1(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)CCCO1	160264152	RZDOGWYKPNWCNN-NTZNESFSSA-N	304.412	0.390	70	10	DCIE	
COCCN(CC(F)F)C(=O)CNC(=O)c1cccnc1	160378780	FPXSNLDINFQCOL-UHFFFAOYSA-N	301.293	0.552	70	10	DCIE	
CC1(C)[C@@H]2OCC[C@H]2[C@]1(N)C(=O)NCCOCC(F)(F)F	160529957	BHURUDSWONDXRE-KKFJDGPESA-N	310.316	0.824	70	10	DCIE	
O=C(NC[C@H](O)c1ccc(F)cc1)N[C@H]1CCc2ncnn2C1	160939847	LWCYMYOCBOZQKZ-STQMWFEESA-N	319.340	0.765	70	10	DCIE	
O=C(NCCc1cscn1)NC[C@H](O)CN1CCCCC1	159548436	VYXSQUXJHACGLP-ZDUSSCGKSA-N	312.439	0.832	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCCC[C@@H]2CCO)cc1N	159554821	RNBXFPVGJNWLFI-LLVKDONJSA-N	313.423	0.918	70	10	DCIE	
O=C(c1cc(C2CC2)on1)N1CCN(S(=O)(=O)F)CC1	1974001534	VODRGOCZTFBKOJ-UHFFFAOYSA-N	303.315	0.524	70	10	DCIE	
COc1sccc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974055376	QDKUNFMSFSXDGD-UHFFFAOYSA-N	308.356	0.633	70	10	DCIE	
CCN(CC)CCNc1ccc(S(=O)(=O)NC)c(N)c1	159556356	IAYLEDOOQSWDEN-UHFFFAOYSA-N	300.428	0.931	70	10	DCIE	
CS(=O)(=O)c1ccc(OCc2nnc(NN)s2)cc1	159695936	VQNQKTXLXHBYIL-UHFFFAOYSA-N	300.365	0.806	70	10	DCIE	
CNC[C@H]1CN(c2cnn(C(C)C)c(=O)c2Cl)CCO1	159849502	YYDWOHSUKBRBMG-JTQLQIEISA-N	300.790	0.902	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NCCOC(F)F	398236730	SQMDRJLYYAOHNH-UHFFFAOYSA-N	316.713	0.922	70	10	DCIE	
CCn1c(-c2cccn3nncc23)nnc1S(=O)(=O)Cl	2185952407	MYUIWEXKDKDTOT-UHFFFAOYSA-N	312.742	0.935	70	10	DCIE	
CN(CC1COC1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	2285333054	JQLZORBEGTVRQG-UHFFFAOYSA-N	323.367	0.612	70	10	DCIE	
Cc1ncnc(N(C)[C@@H]2COC3(COC3)C2)c1[B-](F)(F)F	2286259332	KHDMYIJQNIOYFE-VIFPVBQESA-N	302.085	0.834	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cccn1C1CC1	2287075998	QAWHAYALXJOVFV-VIFPVBQESA-N	301.343	0.841	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@H]2[C@@H](C1)C2(F)F	2287071283	IEZDKVQBPOEVCW-BGZDPUMWSA-N	312.313	0.683	70	10	DCIE	
C[C@@H]1CCCCN1S(=O)(=O)NCCS(=O)(=O)Cl	124145397	MZABHCXAXNBASW-MRVPVSSYSA-N	304.821	0.264	70	10	DCIE	
O=C(Cn1cc(S(=O)(=O)Cl)cn1)NC1CCOCC1	215829546	KHSBOFBTBGGXBX-UHFFFAOYSA-N	307.759	0.106	70	10	DCIE	
CC(C)(C)OC(=O)N1CCC(=O)[C@H](CC(=O)NCCO)C1	160645056	ZCBLCZDNMQWMSH-SNVBAGLBSA-N	300.355	0.311	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(N)c(Cl)cc1C	218140011	RZDDXXXCHQYGJG-UHFFFAOYSA-N	319.814	0.987	70	10	DCIE	
CC(C)(C)C(=O)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1575619133	DSXQDJRXGPFJRK-UHFFFAOYSA-N	319.358	0.565	70	10	DCIE	
CCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1	161314531	KVLSJEYOZMTHGP-RYUDHWBXSA-N	320.397	0.293	70	10	DCIE	
C[C@@H](CNC(=O)[C@@H](C)Oc1cccc(CO)c1)N1CCOCC1	161483028	VONWGQQNGIWFBK-UONOGXRCSA-N	322.405	0.783	70	10	DCIE	
Nc1cc(F)ccc1-c1nnnn1C[C@H]1CCS(=O)(=O)C1	160018761	OJROFUGJAGXFCM-MRVPVSSYSA-N	311.342	0.496	70	10	DCIE	
CNC(=O)CN1CCN(C(=O)c2cccc(N)c2Cl)CC1	160280671	SDZPBXPZHSVOTI-UHFFFAOYSA-N	310.785	0.426	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1c1ccc(C(N)=S)nc1	159813494	OWFFRHBJMIZWCJ-LBPRGKRZSA-N	308.407	0.446	70	10	DCIE	
COC(=O)Cn1cc(CCn2nc(C(C)(C)C)ccc2=O)nn1	159768477	DZTWVOSECIMXJV-UHFFFAOYSA-N	319.365	0.548	70	10	DCIE	
COc1csc(C(=O)N2CCN(S(=O)(=O)F)CC2)c1	1974001070	MMVKUEKHUWGBAJ-UHFFFAOYSA-N	308.356	0.729	70	10	DCIE	
CC[C@@H](CCCN(C)C1CS(=O)(=O)C1)S(=O)(=O)Cl	2037946471	XGQRNTPSZYMNQO-JTQLQIEISA-N	317.860	0.843	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CN(C)CCO1	2182342283	FRRBMAWNLOBIDO-SECBINFHSA-N	323.802	0.288	70	10	DCIE	
Cc1ccc(NC(=O)CN2CCCn3nc(CO)cc3C2)nc1	217107083	SRCFUPSROWVYRV-UHFFFAOYSA-N	315.377	0.923	70	10	DCIE	
COC1(CC(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CCCC1	2287077225	CVGIGBVBUOMLFP-JTQLQIEISA-N	308.375	0.741	70	10	DCIE	
CO[C@H]1[C@@H](CF)N(CCCS(=O)(=O)Cl)C[C@H]1OC	2318393010	MZOOGFIBOGHAPU-BBBLOLIVSA-N	303.783	0.629	70	10	DCIE	
CO/N=C(\C(=O)On1nnc2ccccc21)c1csc(N)n1	100036991	WKQPUFYPPOFADD-YBEGLDIGSA-N	318.318	0.476	70	10	DCIE	
CC1(C)CO[C@H](COCCOCCS(=O)(=O)Cl)CO1	2123277676	RRHYEMDABCSLHW-SNVBAGLBSA-N	316.803	0.782	70	10	DCIE	
C[C@H](Cc1nc(=NC(=O)OC(C)(C)C)[nH][nH]1)S(=O)(=O)F	1953071092	JLSUNTPYAGFOFO-ZCFIWIBFSA-N	308.335	0.804	70	10	DCIE	
CC(C)c1nccnc1S(=O)(=O)CCS(=O)(=O)Cl	703874342	JKIAJLYMNUXXJD-UHFFFAOYSA-N	312.800	0.942	70	10	DCIE	
C[C@H](O)CN(C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1498384933	BMPYAFCGEFEGSX-BDAKNGLRSA-N	321.374	0.104	70	10	DCIE	
Cc1ccc(CN2C[C@@H](C(=O)NC3(CO)CC3)CC2=O)cc1	160233378	VLWPXQRJKJYPLD-AWEZNQCLSA-N	302.374	0.985	70	10	DCIE	
O=C1COc2ccc(C(=O)N3C[C@@H]4CCC[C@H](C3)N4)cc2N1	160704243	POLPPJJKKPSLSN-TXEJJXNPSA-N	301.346	0.984	70	10	DCIE	
Nc1ccncc1S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	160895972	DEULGIZFMAAMMX-BXUZGUMPSA-N	311.407	0.980	70	10	DCIE	
O=C(N[C@]12CCOC[C@@H]1C2)c1cc(S(=O)(=O)Cl)c[nH]1	1880189584	YFMVOQUMYAYNOY-CPCISQLKSA-N	304.755	0.851	70	10	DCIE	
Cc1c(C(=O)OC(C)(C)C)cc(B(O)O)cc1S(=O)(=O)F	1887515400	PGNRYAFCORDWLF-UHFFFAOYSA-N	318.131	0.288	70	10	DCIE	
C[C@]1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CCCCO1	1974395108	VPDKHJCFVYDGDR-GFCCVEGCSA-N	308.375	0.741	70	10	DCIE	
CN([C@H]1CCOC1)S(=O)(=O)c1ccc(C(N)=S)cc1	159444444	QZKWPRXLGWIROH-JTQLQIEISA-N	300.405	0.730	70	10	DCIE	
CCN(CC(C)(C)CN)c1cnn(CCO)c(=O)c1Cl	159779603	PXPBYPBRQZDFIV-UHFFFAOYSA-N	302.806	0.700	70	10	DCIE	
COCCn1ncc(N2CC[C@H]([C@H](C)N)C2)c(Cl)c1=O	160004800	JXJJFTPUDATWPW-UWVGGRQHSA-N	300.790	0.717	70	10	DCIE	
CC(C)NCCS(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	160801632	MQZMUJFYURVAPC-KGLIPLIRSA-N	304.456	0.941	70	10	DCIE	
CO[C@@]1(C)C[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	694438496	NLWSMKXXWRUZAK-ONGXEEELSA-N	306.771	0.860	70	10	DCIE	
CC1(C)OCCO[C@@H]1C(=O)N1CCC[C@H](S(=O)(=O)F)C1	2186788883	NTMIAJSYCAUFDD-VHSXEESVSA-N	309.359	0.471	70	10	DCIE	
Cn1cc(Cl)cc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271495445	MYLOXYJANKBFTP-MRVPVSSYSA-N	309.750	0.697	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1C[C@@H]2CS(=O)(=O)[C@H]2C1	2336508042	JGARBUOSEHGWMA-SCZZXKLOSA-N	305.110	0.678	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c1S(=O)(=O)Cl	2354253430	UGGQRRFOMNZQCM-XLPZGREQSA-N	319.770	0.695	70	10	DCIE	
O=C(COc1ccc(F)cc1)NC[C@H](O)Cn1ccccc1=O	218416734	IKKRYDHERRMDHL-ZDUSSCGKSA-N	320.320	0.544	70	10	DCIE	
CC(C)(C)OC(=O)NCC[C@H]1CN(S(=O)(=O)F)CCO1	1881911022	FCQARPJTNDFTGW-VIFPVBQESA-N	312.363	0.816	70	10	DCIE	
O=S1(=O)C[C@H]2CN(c3ccc([B-](F)(F)F)cn3)C[C@@H]2C1	2116144842	KMWWMIXQROAYLA-RKDXNWHRSA-N	305.110	0.617	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)CCc2ccccn2)C1	2144733791	UCIRCNAJVZOZEM-LLVKDONJSA-N	322.383	0.328	70	10	DCIE	
CCN1CCN(CCn2cc(S(=O)(=O)Cl)nc2C)CC1	2169945700	MUNZEVUEUUQGLA-UHFFFAOYSA-N	320.846	0.757	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@H]3[C@@H](C2)OCCN3C)n1	2172762995	OFFLKSDRWOQCGK-WDEREUQCSA-N	301.101	0.359	70	10	DCIE	
CN1CC[C@H]2OCCN(c3ncc([B-](F)(F)F)cn3)[C@@H]2C1	2185497842	SRXJQOMMGPDUDO-GHMZBOCLSA-N	301.101	0.440	70	10	DCIE	
O=[S@@](NC1CCN(S(=O)(=O)F)CC1)c1ccccc1	2112722590	JYLZVQKNBWJMNK-GOSISDBHSA-N	306.384	0.978	70	10	DCIE	
COC[C@H]1CC[C@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2207416238	MUSWTPVVHOSXHK-HTQZYQBOSA-N	321.786	0.800	70	10	DCIE	
CN1CCN(CCOc2ncccc2S(=O)(=O)Cl)CC1	2281517653	JEAQHXSJGOUQJB-UHFFFAOYSA-N	319.814	0.635	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CCO[C@H]3COC[C@@H]32)n1	2280640039	ACKRRGYCWFCTBB-UWVGGRQHSA-N	303.069	0.749	70	10	DCIE	
CN1CCN(C2CN(CCCCS(=O)(=O)Cl)C2)CC1	697810128	VUHIVWPVIQDRAU-UHFFFAOYSA-N	309.863	0.267	70	10	DCIE	
C[C@@H](CN(C)CCCO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1322243036	BKSFJNVMCCMWAB-VIFPVBQESA-N	321.374	0.105	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(Cl)ccc1N	218137082	FJQSXDLESOHPAD-UHFFFAOYSA-N	305.787	0.679	70	10	DCIE	
CCn1cc(S(=O)(=O)NC[C@@H](C)N(C)C2CC2)c(N)n1	218244000	YVRCOKWAPKOUKJ-SECBINFHSA-N	301.416	0.246	70	10	DCIE	
C[C@H](O)CNC[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1666619657	HTRDQOWJYZFRLN-IUCAKERBSA-N	321.374	0.009	70	10	DCIE	
COC(C)(C)CNC(=O)c1cc(F)cc(S(N)(=O)=O)c1C	161485886	JMVQPONTVKSBTL-UHFFFAOYSA-N	318.370	0.936	70	10	DCIE	
CCc1ccc(S(=O)(=O)NCCNC(=O)N(C)C)cc1N	160691378	LNKXTKFRKMYJTK-UHFFFAOYSA-N	314.411	0.381	70	10	DCIE	
CN(C)CCn1ncc(N(C)[C@@H]2CCCNC2)c(Cl)c1=O	159417951	YFLRRFKUTDAGBY-LLVKDONJSA-N	313.833	0.647	70	10	DCIE	
Cc1cc(OCC(=O)N[C@H](C)C(=O)N2CCCCC2)nn1C	159786316	NOLITTOZXCFUPO-GFCCVEGCSA-N	308.382	0.625	70	10	DCIE	
Nc1ccc(F)cc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974057853	AZZYQJVOGNQXRH-UHFFFAOYSA-N	305.306	0.284	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1c1cc(Cl)ccc1C(N)=S	159798047	CKROYVVVMXRSER-NSHDSACASA-N	313.810	0.925	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1CCC(C)(C)C(N)=S	159822840	WUZJUCUFNZSVMF-LLVKDONJSA-N	301.456	0.914	70	10	DCIE	
COCCn1c([C@]2(C)CCOC2)nnc1S(=O)(=O)Cl	687416859	GSKKJRXXUCQMJK-SNVBAGLBSA-N	309.775	0.530	70	10	DCIE	
CCCN1CCN(CCn2cc(S(=O)(=O)Cl)cn2)CC1	2169945364	IQBBGDMGNWMVCK-UHFFFAOYSA-N	320.846	0.838	70	10	DCIE	
CCOC(C)(C)CS(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2088705252	BCJNFXLXZFTLIU-VIFPVBQESA-N	317.404	0.505	70	10	DCIE	
C[C@H]1C[C@H]1CS(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2112723937	BRCORFMQXMLOJY-IUCAKERBSA-N	314.404	0.241	70	10	DCIE	
NC(=O)COCCOc1c(F)cc(S(=O)(=O)F)cc1F	2241016410	YPYAEUHLUJWPSJ-UHFFFAOYSA-N	313.253	0.504	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F	2284149536	BLHDBFLVNABLNJ-FTLITQJKSA-N	312.313	0.683	70	10	DCIE	
Nc1ccccc1C(=O)NC1CCN(S(=O)(=O)F)CC1	2286963202	GUJDGFGDXARHFM-UHFFFAOYSA-N	301.343	0.677	70	10	DCIE	
C[C@@H]1OC2(C)CC1(C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)C2	2287079049	RWKGVOMMOHGYGR-CRRMYELQSA-N	306.359	0.349	70	10	DCIE	
C#CCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Cl	130163881	DUZWRMBHIYTBGE-UHFFFAOYSA-N	307.780	0.868	70	10	DCIE	
CCn1ncc(Br)c1[C@H](NN)[C@H]1COCCO1	161391341	XESHKGJORDWZLP-RKDXNWHRSA-N	305.176	0.585	70	10	DCIE	
C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(CS(=O)(=O)F)C1	1897481547	NDFDSTOBUQTQDY-QMMMGPOBSA-N	324.374	0.657	70	10	DCIE	
COCCn1cc(S(=O)(=O)Cl)cc1C(=O)NCCF	388505515	IIOOQSIALCHIHX-UHFFFAOYSA-N	312.750	0.761	70	10	DCIE	
C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](S(=O)(=O)F)C1	2144732833	JWBAWAAAPLFIMV-DTWKUNHWSA-N	308.375	0.437	70	10	DCIE	
CCCn1c([C@@H]2CO[C@@H]3COC[C@H]32)nnc1S(=O)(=O)Cl	2158060989	XEQQHIFYVIHTFZ-DJLDLDEBSA-N	321.786	0.744	70	10	DCIE	
O=S1(=O)CCC[C@@]12CCN(c1ncncc1[B-](F)(F)F)C2	2172783773	JLNCYWPLMFNERT-NSHDSACASA-N	320.125	0.689	70	10	DCIE	
COc1nc(N2CCS(=O)(=O)C[C@@H]2C)ncc1[B-](F)(F)F	2172766634	JJBZMMIJLPZSEM-ZETCQYMHSA-N	324.113	0.163	70	10	DCIE	
COc1nc(N(C)CCn2cnnc2)ncc1[B-](F)(F)F	2172769728	BJRJCGWLEAHWFC-UHFFFAOYSA-N	301.061	0.268	70	10	DCIE	
CNC(=O)COc1cc(F)c(S(=O)(=O)F)cc1[N+](=O)[O-]	2191424137	OOMLVOXEPYADPY-UHFFFAOYSA-N	310.234	0.517	70	10	DCIE	
CO[C@@H]1C[C@H]1NC(=O)c1n[nH]c(C(C)C)c1S(=O)(=O)Cl	2188223464	LWGMDBNFKBBNSB-RNFRBKRXSA-N	321.786	0.978	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)CC2CC(F)C2)C1	2092500521	WNVGXZZSZIOEID-UDNWOFFPSA-N	317.379	0.828	70	10	DCIE	
C[C@]12CO[C@](C(=O)NC3CCN(S(=O)(=O)F)CC3)(C1)C2	2205374747	UNPRAWYWDADTNL-TXEJJXNPSA-N	306.359	0.350	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@]2(Cl)CC2(C)C)[nH]1	2229589239	OXILFSBICNXPPW-JTQLQIEISA-N	309.750	0.846	70	10	DCIE	
CCn1cc(CC(=O)Nc2ncc(S(=O)(=O)F)s2)nn1	1461974070	AFWKBFIUCGEFCZ-UHFFFAOYSA-N	319.343	0.594	70	10	DCIE	
CO[C@@]1(CNC(=O)c2sc3nccnc3c2N)CCOC1	161497715	BYFNDELGVPLKRM-CYBMUJFWSA-N	308.363	0.809	70	10	DCIE	
CCCCN(CCCC)S(=O)(=O)N[C@H]1CCN(C)C1=O	160468621	BAGUBHBBFPHGFV-LBPRGKRZSA-N	305.444	0.954	70	10	DCIE	
Cc1c(NCCNC(=O)C2CC2)cc(N)cc1S(N)(=O)=O	160670488	RRWMWLTWVFQDPW-UHFFFAOYSA-N	312.395	0.163	70	10	DCIE	
O=[N+]([O-])c1cnccc1S(=O)(=O)CCS(=O)(=O)Cl	203538580	SILHNTCUTKHFER-UHFFFAOYSA-N	314.728	0.332	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)c2cncs2)C1	1944160891	BQEGQDZKTJGSAI-LURJTMIESA-N	300.358	0.205	70	10	DCIE	
O=C(CC(F)(F)C(F)F)NCC1CN(S(=O)(=O)F)C1	1974055972	YSEUJTIAZSNNJH-UHFFFAOYSA-N	310.244	0.539	70	10	DCIE	
C[C@@]1(C2CCS(=O)(=O)CC2)CC(=O)N1S(=O)(=O)Cl	2029449813	HURBRDSLQSTGMU-VIFPVBQESA-N	315.800	0.286	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)[C@@H]2CCCOC2)c1S(=O)(=O)Cl	401439830	BNEWUJHBCJOULN-MRVPVSSYSA-N	321.786	0.897	70	10	DCIE	
Cc1ncnc(N2CCC(S(C)(=O)=O)CC2)c1[B-](F)(F)F	2172769869	CVPJJCCRMAGHIU-UHFFFAOYSA-N	322.141	0.853	70	10	DCIE	
CN(CC1[C@H]2CS(=O)(=O)C[C@H]12)c1ncncc1[B-](F)(F)F	2174650634	XLRAKIGIHDOWNZ-RKDXNWHRSA-N	320.125	0.258	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1C[C@]12CCOC2	2198327730	HNSRGRABWKOFPF-HQJQHLMTSA-N	320.754	0.303	70	10	DCIE	
Cc1noc(CCC(=O)N2CC(CCS(=O)(=O)F)C2)n1	2199689118	OPSKEXJEBHEXMX-UHFFFAOYSA-N	305.331	0.458	70	10	DCIE	
O=C(NC12COC(CF)(C1)C2)c1cc(S(=O)(=O)Cl)c[nH]1	2202615473	UXBBUGJBHSZQHD-UHFFFAOYSA-N	322.745	0.943	70	10	DCIE	
O=c1[nH]c(=O)n(CCc2ccccc2)cc1S(=O)(=O)Cl	112727648	UBEVOPYTSLCLKU-UHFFFAOYSA-N	314.750	0.707	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1CCCOC1	115016626	AMUYZRMELIQSLE-MRVPVSSYSA-N	306.771	0.861	70	10	DCIE	
COc1nn(C)cc1C(=O)Nc1nc2c(s1)C(=O)NCCC2	218504296	XTBGQBZENKHCLS-UHFFFAOYSA-N	321.362	0.814	70	10	DCIE	
Cc1nc(N2CCS(=O)(=O)C[C@H]2C)ncc1[B-](F)(F)F	2116131423	XQNZFQBSYSAZCE-SSDOTTSWSA-N	308.114	0.463	70	10	DCIE	
O=C(N[C@@H]1[C@@H]2CCCO[C@@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2120039985	PNIXALXVUMRZBK-SFGNSQDASA-N	304.755	0.849	70	10	DCIE	
COC(=O)[C@H](CCF)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1263791584	ZHORUBQZXLKNGA-ZETCQYMHSA-N	310.278	0.304	70	10	DCIE	
C[C@H](CO)S(=O)(=O)NCCCN(C)Cc1ccccc1	217725060	UDSFEHIGOQXGPJ-CYBMUJFWSA-N	300.424	0.809	70	10	DCIE	
C[C@@H](CC(=O)N1CCN(S(=O)(=O)F)CC1)P(C)(C)=O	1886565349	OXWFKBLWKWROBT-VIFPVBQESA-N	314.319	0.746	70	10	DCIE	
Cc1ccc(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)cc1	2134976479	JJNZMECZQZVOBY-UHFFFAOYSA-N	307.368	0.915	70	10	DCIE	
COc1nn(C)cc1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1539883680	VYIWXWMBOPNWFO-UHFFFAOYSA-N	316.314	0.345	70	10	DCIE	
CCC[C@H]1CN(C(=O)NCC(=O)NCC(F)(F)F)CCO1	160453705	ROYLHDWODLIWBR-VIFPVBQESA-N	311.304	0.875	70	10	DCIE	
C[C@H](N)c1cccc(S(=O)(=O)NCCNC(=O)C2CC2)c1	160824314	RZMOOZKWCRTGBP-JTQLQIEISA-N	311.407	0.511	70	10	DCIE	
Cn1cc(S(=O)(=O)Nc2ccccc2S(=O)(=O)F)nn1	2144429841	QTVFKDJWYKRUAY-UHFFFAOYSA-N	320.327	0.274	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2C[C@@]2(C)OC)c1S(=O)(=O)Cl	703695272	OLUZFAVIVYBSDI-WRWORJQWSA-N	321.786	0.807	70	10	DCIE	
C[C@H]1CCC[C@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)O1	2235160344	LAIGUHCFWSMHBL-JGVFFNPUSA-N	322.770	0.834	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cncc(Cl)n1	2271494947	KJWRIRDBAWVIBU-ZCFIWIBFSA-N	308.722	0.148	70	10	DCIE	
Cc1nc(N(C)[C@H]2COC3(COC3)C2)ncc1[B-](F)(F)F	2286260755	QDUBHYZZWHJAFI-SECBINFHSA-N	302.085	0.834	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@H]3CS(=O)(=O)[C@H]3C2)n1	2336520085	JZEVHHHMIQBHPF-CBAPKCEASA-N	306.098	0.073	70	10	DCIE	
CC(C)N1C[C@H](NC(=O)Nc2ccccc2C(N)=O)CC1=O	217288767	YLXIFXFTVMQFCH-SNVBAGLBSA-N	304.350	0.916	70	10	DCIE	
Cc1ncc(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)o1	701861957	JYPTYUJOYHNIGR-UHFFFAOYSA-N	305.699	0.221	70	10	DCIE	
Cc1ccnc(N2C[C@H]3C[C@H]2CS3(=O)=O)c1[B-](F)(F)F	2116145388	LSCUKRZFXNRUJB-DTWKUNHWSA-N	305.110	0.820	70	10	DCIE	
NC(=O)C1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1348647426	RKDFHRSHRPFPDS-UHFFFAOYSA-N	317.342	0.447	70	10	DCIE	
CCc1nsc(S(=O)(=O)CCS(=O)(=O)Cl)n1	114541162	PCSJOTZOIUBIBP-UHFFFAOYSA-N	304.802	0.443	70	10	DCIE	
C#CCCN(C)[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1674997015	OKBLGBBWLSLLPI-JTQLQIEISA-N	315.370	0.746	70	10	DCIE	
O=C(N[C@H]1c2ccccc2C[C@@H]1O)N[C@@H]1CCc2ncnn2C1	161146369	CWXJYVHEHHLFDQ-ZLDLUXBVSA-N	313.361	0.550	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1[C@@H](C)C(=O)OC(C)(C)C	160061927	RHYCHZWFERMTOU-RYUDHWBXSA-N	300.399	0.942	70	10	DCIE	
O=C(NC[C@]1(CCO)CCOC1)C(=O)Nc1ccccc1F	160915414	GVCIMAXTUFHZIG-HNNXBMFYSA-N	310.325	0.670	70	10	DCIE	
Cc1noc(CCC(=O)N2CCC[C@@H](S(=O)(=O)F)C2)n1	1968226454	CDRASUAGVUBGFT-SECBINFHSA-N	305.331	0.601	70	10	DCIE	
Cc1ncnc(C)c1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001361	RQWPIFCCYBUNRB-UHFFFAOYSA-N	302.331	0.066	70	10	DCIE	
N[C@H]1CCCCC[C@@H]1Nc1cnn(CCO)c(=O)c1Cl	159363181	QBQFLFYXLDJYBP-UWVGGRQHSA-N	300.790	0.961	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N[C@H]2CCCNC2=O)c1F	159512063	AKMVRMHIVNMGNF-VIFPVBQESA-N	301.343	0.273	70	10	DCIE	
CC1(C)C[C@H](S(C)(=O)=O)CN1c1ncc([B-](F)(F)F)cn1	2179893226	LDGDNITUPBHFCD-VIFPVBQESA-N	322.141	0.933	70	10	DCIE	
COCCc1nc(Cn2cc(S(=O)(=O)Cl)nc2C)no1	2169783443	NFSMBFFPAMVSPY-UHFFFAOYSA-N	320.758	0.739	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N(C1CC1)C1COC1	2105123677	PZRGRQFXKHZJMA-UHFFFAOYSA-N	304.755	0.946	70	10	DCIE	
COCCc1noc(Cn2cc(S(=O)(=O)Cl)cn2)n1	2113361631	WQRJJBVOZCNNER-UHFFFAOYSA-N	306.731	0.431	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CCC[C@H]1C(F)F	2270135932	ZZVQKQQSPFRPKV-HTQZYQBOSA-N	300.302	0.683	70	10	DCIE	
CCn1nnc(C)c1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1348406289	RZNNZFJCIPKXQS-UHFFFAOYSA-N	315.330	0.523	70	10	DCIE	
Cc1ccc(NC(=O)[C@H]2COC(=O)N2)cc1S(=O)(=O)F	1437963557	YLJOWUFGIOUJAN-MRVPVSSYSA-N	302.283	0.700	70	10	DCIE	
CN(CCCNCCF)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1699535434	REHWHYBYAZKNSS-UHFFFAOYSA-N	309.338	0.694	70	10	DCIE	
CN1CCN(Cc2cccc(C(=O)NC3(CO)CC3)c2)CC1	160241629	CUBCPDIQPLLQGL-UHFFFAOYSA-N	303.406	0.689	70	10	DCIE	
COc1c(Cl)ncnc1N1CCOC[C@H]1C(=O)NC(C)C	160284518	CQJYKYNYQLYZEZ-VIFPVBQESA-N	314.773	0.868	70	10	DCIE	
COc1cc(OC)nc(N2CCN([C@H](C)C(N)=S)CC2)n1	159765209	UZNAEIQVTGXGRJ-SECBINFHSA-N	311.411	0.290	70	10	DCIE	
CO[C@H]1CN(S(=O)(=O)Cl)C[C@@H]1NC(=O)OC(C)(C)C	1880793258	CVPQLLGDKUPHNA-YUMQZZPRSA-N	314.791	0.694	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1Cc1cncn1C	302252059	CFHNLNQLWVOHMT-UHFFFAOYSA-N	319.730	0.809	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2CO[C@@H](C)C2)c1S(=O)(=O)Cl	2158033725	SCBXKDIYQMSDDM-POYBYMJQSA-N	321.786	0.800	70	10	DCIE	
O=S1(=O)CCC(Cn2cc(S(=O)(=O)Cl)cn2)CC1	694498818	PGEKZYIALVMTJN-UHFFFAOYSA-N	312.800	0.635	70	10	DCIE	
Cc1[nH]nc(C(=O)N2CCOC3(CC3)C2)c1S(=O)(=O)Cl	2168297084	XSVHDKJTDDGDTQ-UHFFFAOYSA-N	319.770	0.651	70	10	DCIE	
CP(C)(=O)CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2084135067	HXKUBMWWDVUUHM-UHFFFAOYSA-N	314.687	0.499	70	10	DCIE	
C[C@@H](CS(=O)(=O)NCC1CN(S(=O)(=O)F)C1)C1CC1	2108156183	CUBHJTRPTLRFNS-QMMMGPOBSA-N	314.404	0.098	70	10	DCIE	
O=S(=O)(Cc1ccccc1)N[C@H]1CCN(S(=O)(=O)F)C1	2287088889	FTQYUOTVPDTMGE-NSHDSACASA-N	322.383	0.395	70	10	DCIE	
CN1CCC[C@@H](CC(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2287076551	JJFONTGXJRWDLY-QWRGUYRKSA-N	307.391	0.123	70	10	DCIE	
C[C@@H]1CC(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C[C@@H](C)O1	2287063814	USDGLFDFUFOFNN-KKZNHRDASA-N	308.375	0.595	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1Cc1ncon1	302248521	BDGMQFOCZDAIIL-UHFFFAOYSA-N	307.675	0.459	70	10	DCIE	
CN(C)CCN(C(=O)NC1CCCC1)[C@@H]1CCS(=O)(=O)C1	217582186	WYYXADKFVUNQDN-CYBMUJFWSA-N	317.455	0.689	70	10	DCIE	
O=C(c1ccc(Cl)nn1)N1CC(CCS(=O)(=O)F)C1	2134991505	ZIPIWPUOGMVSSL-UHFFFAOYSA-N	307.734	0.891	70	10	DCIE	
COCc1ncc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)n1C	2363886800	YHWQTTUITUOAOL-MRVPVSSYSA-N	305.331	0.080	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N1CCOCC1	229718835	KXMHJXFWEZDHJO-UHFFFAOYSA-N	306.771	0.908	70	10	DCIE	
CC(C)(C)OC(=O)N1CCN(C[C-]2N=C=NO2)[C@H](C(=O)O)C1	725524735	ZZRWSSVGPKGXTE-VIFPVBQESA-N	311.318	0.601	70	10	DCIE	
C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)Cl)C1	1953573946	PKGDXSIEQLBPJI-RITPCOANSA-N	308.709	0.859	70	10	DCIE	
CCOC(=O)c1cnn(-c2ccnn2C)c1S(=O)(=O)Cl	691399824	OTXOODABRGWMRB-UHFFFAOYSA-N	318.742	0.710	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)CC(C)(F)F)n1	1923144868	XUURAOWJXCRYCX-UHFFFAOYSA-N	321.302	0.475	70	10	DCIE	
Cn1cnc(S(=O)(=O)Nc2ccccc2S(=O)(=O)F)c1	228315212	ANDDTHJYYHNWFC-UHFFFAOYSA-N	319.339	0.879	70	10	DCIE	
COCCNC[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1732359802	GFWHYPGECKUUOJ-SECBINFHSA-N	321.374	0.275	70	10	DCIE	
Cc1c(C(=O)N2CCO[C@H](C)[C@H]2C)cccc1S(N)(=O)=O	160038490	DQTWIXIWGDWSGM-GHMZBOCLSA-N	312.391	0.892	70	10	DCIE	
CCOC(=O)CN(CC(N)=O)C(=O)c1cc(CC)c(CC)o1	160537659	OYZALSVRFYFIRJ-UHFFFAOYSA-N	310.350	0.895	70	10	DCIE	
CCc1nc(C(=O)NC2CCN(S(=O)(=O)F)CC2)co1	1974394579	LIUFDVQZIMLQHL-UHFFFAOYSA-N	305.331	0.646	70	10	DCIE	
CCn1nccc1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974395308	YUKBWRXKIZUTDD-UHFFFAOYSA-N	304.347	0.312	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)Cc2cccc(N)c2)CCOC1	159900486	GCNJVHZJNRSTQG-CYBMUJFWSA-N	300.380	0.494	70	10	DCIE	
COCCn1c([C@H]2CC2(F)F)nnc1S(=O)(=O)Cl	2029616535	QUOJYNTVYCFBNO-RXMQYKEDSA-N	301.702	0.975	70	10	DCIE	
CO[C@H]1COC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	2177283702	OMSDUDBLNWHMDW-SCZZXKLOSA-N	322.770	0.096	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@]12CCCOC2	2198144396	TVIGOBUDJLOUSK-JQWIXIFHSA-N	306.359	0.065	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@@]12CCCOC2	2287071686	JIGZBFXYFDBCMX-JFGNBEQYSA-N	306.359	0.208	70	10	DCIE	
C[C@@H](Oc1ccc(S(=O)(=O)Cl)cc1C(=O)O)C(N)=O	215641555	ZEJHJWZBLYVRPH-RXMQYKEDSA-N	307.711	0.565	70	10	DCIE	
CN(C)C(=O)NCCN[C@H]1CCN(C(=O)OC(C)(C)C)C1	160761552	JKCYCLHVNWOQEV-NSHDSACASA-N	300.403	0.857	70	10	DCIE	
CS(=O)(=O)[C@@H]1CSCCN1CCCS(=O)(=O)Cl	156760941	QEAAGEKOPOEZKR-MRVPVSSYSA-N	321.873	0.365	70	10	DCIE	
CCn1cc(S(=O)(=O)NCCCN(C)C)cc1CNC	217499401	LNPPSPHDNHCOPJ-UHFFFAOYSA-N	302.444	0.457	70	10	DCIE	
CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC([C@H](C)O)CC1)CC2	160057339	AOIDNMAGQDOFDB-AAEUAGOBSA-N	321.425	0.958	70	10	DCIE	
COCCC[C@H](N)C(=O)Nc1cccc(NS(C)(=O)=O)c1	159419865	VWLOODWWKIYNME-LBPRGKRZSA-N	315.395	0.751	70	10	DCIE	
NC(=S)c1ccncc1N1CCOC[C@H]1C(=O)NC1CC1	159810833	LLMRHMYVVHAACP-LBPRGKRZSA-N	306.391	0.200	70	10	DCIE	
Nc1cccc(F)c1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001705	ZDNGUZVTEJVXBH-UHFFFAOYSA-N	305.306	0.380	70	10	DCIE	
CCc1nc(C)c(C(=O)NCC2CN(S(=O)(=O)F)C2)o1	1974055573	SOYOMXVZTZFHCC-UHFFFAOYSA-N	305.331	0.421	70	10	DCIE	
CC[C@@H](CCO)NC(=O)Cc1csc(NS(C)(=O)=O)n1	160082636	RZMFLQMQSVIHKY-QMMMGPOBSA-N	321.424	0.334	70	10	DCIE	
CC(C)N(C)S(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2028128790	LPRXXVUOWCJWSY-UHFFFAOYSA-N	302.393	0.335	70	10	DCIE	
O=C(c1n[nH]c(C2CC2)n1)N1CC(CCS(=O)(=O)F)C1	2199695803	FVSMCHUKAOAGPX-UHFFFAOYSA-N	302.331	0.444	70	10	DCIE	
O=C(c1ccc(O)cc1O)N1CC(CCS(=O)(=O)F)C1	2199691440	AKIFAOGFIVQXFV-UHFFFAOYSA-N	303.311	0.859	70	10	DCIE	
CC(C)(C)O[C@H]1C[C@@H](C(=O)NC2CN(S(=O)(=O)F)C2)C1	2284151354	QRPMDQWLMYTYSF-WAAGHKOSSA-N	308.375	0.595	70	10	DCIE	
CC(C)n1c([C@H](C)n2cncn2)nnc1S(=O)(=O)Cl	232805686	YBDOIYUYPFHFLX-ZETCQYMHSA-N	304.763	0.987	70	10	DCIE	
O=C(c1cc(O)ccc1F)N1CCN(S(=O)(=O)F)CC1	2163649694	MPGHNEHGBNRSTE-UHFFFAOYSA-N	306.290	0.503	70	10	DCIE	
CN1CCO[C@H](c2nnc(S(=O)(=O)Cl)n2C2CC2)C1	2131265692	GLLDDTRZHLOVEP-QMMMGPOBSA-N	306.775	0.544	70	10	DCIE	
CCC[C@@H]1C(=O)NCCN1C(=O)c1cnc2c(c1)ncn2C	161042498	XYPSQPXRMMUUKP-GFCCVEGCSA-N	301.350	0.709	70	10	DCIE	
CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(C)(O)CC1	161255666	PCXRYQPZKOLUPO-LBPRGKRZSA-N	318.439	0.564	70	10	DCIE	
COCCN(C)S(=O)(=O)N1CCC(Cn2cccn2)CC1	159424030	BOSXQDYFSNTZNY-UHFFFAOYSA-N	316.427	0.418	70	10	DCIE	
CN(C)CCn1ncc(N[C@H]2CCC[C@H]2CN)c(Cl)c1=O	159638330	HIMOFKGQIXIYHY-QWRGUYRKSA-N	313.833	0.998	70	10	DCIE	
Cc1cc(C(=O)NC2CCN(S(=O)(=O)F)CC2)ccn1	1974401962	IHBOJRJKNOKFNE-UHFFFAOYSA-N	301.343	0.799	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nccc2cccnc12	716981859	ZOCKCNCTJBXYJW-UHFFFAOYSA-N	320.779	0.972	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCc1cnccn1	2182342570	BKTOBNUOOYQHLG-UHFFFAOYSA-N	316.770	0.990	70	10	DCIE	
N#CC1(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)F)C2)CC1	2110056686	QXGODYAXPQQSKG-VIFPVBQESA-N	310.372	0.384	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)C2CS(=O)(=O)C2)n1	2265780443	QRGHHBUPXQAPFC-UHFFFAOYSA-N	309.098	0.378	70	10	DCIE	
CS(=O)(=O)N1CCC(Oc2ncncc2[B-](F)(F)F)CC1	2285599657	KCOGFMWXCHYLLX-UHFFFAOYSA-N	324.113	0.334	70	10	DCIE	
Nc1ccc(F)cc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287064639	FGBCRGKVPRLLAW-QMMMGPOBSA-N	305.306	0.426	70	10	DCIE	
CCc1ncncc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287066274	AKRKLJKLKNPZQI-QMMMGPOBSA-N	302.331	0.057	70	10	DCIE	
CN1CCO[C@@H](Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)C1	215915270	DYKFLJWBVYHDBM-SSDOTTSWSA-N	324.746	0.049	70	10	DCIE	
O=C(N[C@H]1COC2CC1C2)c1cc(S(=O)(=O)Cl)c[nH]1	2126712533	NBBPZWYHQCMWTF-QIMWKCOFSA-N	304.755	0.849	70	10	DCIE	
O=C1C[C@@H](Cn2cc(S(=O)(=O)Cl)nc2C2CCC2)N1	1922272109	NIYNUHBJNLKTQD-QMMMGPOBSA-N	303.771	0.967	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)CCC2CC2)n1	1923190953	DXQCNLMNGTWOOC-UHFFFAOYSA-N	311.360	0.620	70	10	DCIE	
Cc1n[nH]c(C)c1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923153156	XPSZBVGHGNMSTG-UHFFFAOYSA-N	301.303	0.092	70	10	DCIE	
C[C@H](CNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)N(C)C	163311977	RMOXGUZYJLOBDS-SECBINFHSA-N	324.399	0.573	70	10	DCIE	
COc1cc(N)cc(C(=O)NCC(C)(C)NS(C)(=O)=O)c1	159746500	CQJOFIOXXQBTNI-UHFFFAOYSA-N	315.395	0.335	70	10	DCIE	
O=C(CN1CCCCCCC1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	7525378	HRTZZNYRPYMUAH-RYUDHWBXSA-N	322.858	0.773	70	10	DCIE	
CCOC(=O)C(=O)[C@@]1(CCS(=O)(=O)F)CCCCC1=O	883954181	CKSRSQGUKDFIEM-GFCCVEGCSA-N	308.327	0.938	70	10	DCIE	
Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)F)CC1	1974000761	GMQAQSWXTQZFLT-UHFFFAOYSA-N	300.355	0.896	70	10	DCIE	
CCn1ncc(N2CC[C@H](OC)C[C@@H]2CN)c(Cl)c1=O	159999769	UUVFSGXYNYEGHJ-ZJUUUORDSA-N	300.790	0.859	70	10	DCIE	
COc1nc(N(C)C[C@H]2COCCO2)ncc1[B-](F)(F)F	2172758186	MMJZCKZBZSHDKV-QMMMGPOBSA-N	306.073	0.391	70	10	DCIE	
COc1nc(N(C)[C@H]2CCS(=O)(=O)C2)ncc1[B-](F)(F)F	2172767806	YUOQQKFRXMQYGJ-ZETCQYMHSA-N	324.113	0.163	70	10	DCIE	
COCCn1c(-c2c(C)ncn2C)nnc1S(=O)(=O)Cl	2188542306	FMAHIVLETQACPE-UHFFFAOYSA-N	319.774	0.561	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@]12CCOC[C@H]1C2	2194442841	GIBNJTONAKKEMT-BXKDBHETSA-N	306.359	0.208	70	10	DCIE	
O=C(O)c1cc(S(=O)(=O)F)ccc1O[C@H]1CCNC1=O	2191413000	AHWRLQZSFATSNF-VIFPVBQESA-N	303.267	0.310	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@@H]2CCCOC2)c1S(=O)(=O)Cl	2096214225	AXMKXMVSQGNVQB-SSDOTTSWSA-N	308.743	0.981	70	10	DCIE	
COCCn1c([C@@H]2CC[C@H]2OC)nnc1S(=O)(=O)Cl	2227855989	QVUORZRPMDAZMO-HTQZYQBOSA-N	309.775	0.744	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1COCCN1C	2283077051	USAHQZXJELEODX-SECBINFHSA-N	323.802	0.288	70	10	DCIE	
CN(C[C@H]1CCO1)C(=O)c1cc(S(=O)(=O)Cl)cn1C	2341216013	GUVYQIXGFGPFOX-MRVPVSSYSA-N	306.771	0.814	70	10	DCIE	
CC(=O)NCCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	217287367	XWHAHQJWWPGJHI-AWEZNQCLSA-N	318.377	0.223	70	10	DCIE	
Cc1c(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)c(N)nn1C	218068564	KLAIAAPLFVUNJE-MNOVXSKESA-N	313.427	0.216	70	10	DCIE	
O=C1CC[C@@H]1CS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2121679842	WVOCWOSNBNVINP-RKDXNWHRSA-N	313.372	0.059	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1CCO[C@@H]2C[C@@H]21	2115269054	HSGPYOKRVHJCDH-WCBMZHEXSA-N	304.755	0.566	70	10	DCIE	
COCCOCCn1cc(S(=O)(=O)Cl)nc1COC	2125953476	JRYGZQXNIYBSHD-UHFFFAOYSA-N	312.775	0.620	70	10	DCIE	
C[C@H](O)CNC[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1666619655	HTRDQOWJYZFRLN-BDAKNGLRSA-N	321.374	0.009	70	10	DCIE	
CCOCCS(=O)(=O)N(C)CC1CCN(C[C@H](C)O)CC1	161446393	QTSINEYJRNPCFW-ZDUSSCGKSA-N	322.471	0.377	70	10	DCIE	
C[C@H](N)c1ccc(S(=O)(=O)NCCNC(=O)N(C)C)cc1	160937658	FQRCXOTYTOINOM-JTQLQIEISA-N	314.411	0.256	70	10	DCIE	
Cn1cc(S(=O)(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)nn1	1879789824	VVZHNDJKUVZMTG-IONNQARKSA-N	309.102	0.817	70	10	DCIE	
CCn1c(-c2ccn3ncnc3c2)nnc1S(=O)(=O)Cl	2148794776	COAHQLYZLLKDQI-UHFFFAOYSA-N	312.742	0.935	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@@H](C)C(=O)N(C)C)cc1N	159589456	FFIQIRJNLQFMAB-QMMMGPOBSA-N	300.384	0.066	70	10	DCIE	
Cc1cc(C)c(C(=O)N2CCN(S(=O)(=O)F)CC2)cn1	2163654229	BEUCRAXUYJAUJU-UHFFFAOYSA-N	301.343	0.671	70	10	DCIE	
COC[C@@H]1CN(c2ncc([B-](F)(F)F)c(OC)n2)CCO1	2172770529	MKELLYCIZSUHHO-QMMMGPOBSA-N	306.073	0.391	70	10	DCIE	
C[C@@H]1COC[C@@H]1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	699725499	MUASTNHFVOCLJS-KCJUWKMLSA-N	323.367	0.658	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CCNC(=O)C1	2182342761	CLZMWRAPSSJCCR-QMMMGPOBSA-N	321.786	0.483	70	10	DCIE	
COCCn1c(C[C@H]2CC[C@H]2OC)nnc1S(=O)(=O)Cl	2186906902	HXOHWBTZKOIMSS-RKDXNWHRSA-N	323.802	0.820	70	10	DCIE	
CO[C@H]1C[C@@H](NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	2089453246	QWWTYUXMZBIJPV-KNVOCYPGSA-N	307.759	0.553	70	10	DCIE	
COCCn1c(CC2(OC)CC2)nnc1S(=O)(=O)Cl	2090398078	KIPAJWNCSAFCEW-UHFFFAOYSA-N	309.775	0.574	70	10	DCIE	
C[C@@H]1CC(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C[C@@H](C)O1	2287063813	USDGLFDFUFOFNN-FXPVBKGRSA-N	308.375	0.595	70	10	DCIE	
CN(C)S(=O)(=O)CCCn1cnc(S(=O)(=O)Cl)c1	700306364	LCJWTLGPEPYDLX-UHFFFAOYSA-N	315.804	0.092	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)[C@H]2CCS(=O)(=O)C2)n1	2116129933	KDJGXTJITSXJDW-QMMMGPOBSA-N	308.114	0.463	70	10	DCIE	
C=CCN(C)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1712972166	NKNAOHWYMXNCOQ-UHFFFAOYSA-N	303.359	0.911	70	10	DCIE	
CCC[C@H](C(=O)N1CCN(CC(=O)NC2CC2)CC1)N(C)C	161281476	DYNNAZIRNBMXSE-CQSZACIVSA-N	310.442	0.140	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1nc(Cl)nc(OCC)n1	160257329	ZOJYMVGZTQHCLO-QMMMGPOBSA-N	315.761	0.265	70	10	DCIE	
Cc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160539724	UEFCHZYKVGOHHP-TXEJJXNPSA-N	323.418	0.609	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(CC(N)=O)CC(C)C)cc1N	159602736	NQXQUJIGTFMGJU-UHFFFAOYSA-N	314.411	0.125	70	10	DCIE	
Cn1cc(CCNC(=O)c2csc(S(C)(=O)=O)c2)cn1	159467525	GLDKYNJPWCYJIV-UHFFFAOYSA-N	313.404	0.858	70	10	DCIE	
CN(C)c1nc(CN2CCO[C@@H](Cn3cccn3)C2)ns1	159983552	WJVVFTMPIBWXLT-LLVKDONJSA-N	308.411	0.702	70	10	DCIE	
Nc1cc(F)ccc1-c1nnnn1C1CCS(=O)(=O)CC1	159989514	IKHDGVLCBHQPQC-UHFFFAOYSA-N	311.342	0.811	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)C[C@H]1CC[C@H](F)C1	1945230096	GVIVWBFMXBXBIW-YUMQZZPRSA-N	307.796	0.613	70	10	DCIE	
CCn1nc(C)cc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001386	SEWCGKSDHLAJFZ-UHFFFAOYSA-N	304.347	0.184	70	10	DCIE	
CC[C@@]1(C(=O)N2CCN(S(=O)(=O)F)CC2)CC1(F)F	1974014016	DDYNCPQVMTUPID-VIFPVBQESA-N	300.302	0.780	70	10	DCIE	
CCn1ncc(N2CC[C@@H](OC)C[C@@H]2CN)c(Cl)c1=O	159999919	UUVFSGXYNYEGHJ-NXEZZACHSA-N	300.790	0.859	70	10	DCIE	
COCCn1c([C@H]2C[C@@]23CCOC3)nnc1S(=O)(=O)Cl	2156717642	CTUJRRLHRPTWPY-LDYMZIIASA-N	321.786	0.746	70	10	DCIE	
COCCn1c([C@H]2[C@@H]3COC[C@@H]32)nnc1S(=O)(=O)Cl	385600662	ZCXJHOXNXYSORA-JIGDXULJSA-N	307.759	0.212	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CCC(=O)N1CCOCC1	2173770233	MPVGBVYGEZSSOA-UHFFFAOYSA-N	321.786	0.368	70	10	DCIE	
COC[C@@H]1C[C@H]1CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2189958106	YQHBMESTQMUZON-YUMQZZPRSA-N	321.786	0.658	70	10	DCIE	
COCCn1nnnc1Sc1nc([B-](F)(F)F)cs1	2052569919	BXYGBCVUDBBXLF-UHFFFAOYSA-N	310.115	0.982	70	10	DCIE	
CC(F)(F)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271488372	DRGJFXAYPCRCCY-GJMOJQLCSA-N	300.302	0.683	70	10	DCIE	
CC(C)(F)[C@@](C)(F)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271503247	POBUECRKPRIUOY-XVKPBYJWSA-N	302.318	0.868	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)Cc2nncn2C)n1	2280508489	JFLNARFKOXSJMG-UHFFFAOYSA-N	300.073	0.910	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c1S(=O)(=O)Cl	115793224	XNFGIHSKQCYBGS-XPUUQOCRSA-N	321.786	0.943	70	10	DCIE	
C=CCNC(=O)C[S@@](=O)Cc1ccc(S(=O)(=O)F)cc1	857219787	PULSMEXARCSDPL-IBGZPJMESA-N	319.379	0.896	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@H]2CCO[C@H]21	2120030095	UWNNBVSTNSQOLA-SZEHBUNVSA-N	304.755	0.470	70	10	DCIE	
CC(C)(C)n1c(C[C@@H]2COCCO2)nnc1S(=O)(=O)Cl	1916704810	WOEYQTZVYCWUKU-MRVPVSSYSA-N	323.802	0.919	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cc(Cl)n(C)n2)[nH]1	1923176419	AGTALXVFZBAALI-UHFFFAOYSA-N	321.721	0.139	70	10	DCIE	
CO[C@]1(CNc2nc(Cl)nc(-n3cccn3)n2)CCOC1	161051190	ZCCSYFBCCNYBEE-LBPRGKRZSA-N	310.745	0.928	70	10	DCIE	
Cc1cc(C(N)=S)cc(N2CC[C@@H](N3CCOCC3)C2)n1	161305023	GQDUGPPHXFQIMB-CYBMUJFWSA-N	306.435	0.935	70	10	DCIE	
CCCNC(=O)c1ccc(N2CCS(=O)(=O)[C@@H](C)C2)nc1	160739098	MIKYFTSSDHHHEW-NSHDSACASA-N	311.407	0.845	70	10	DCIE	
O=C(Nc1ccc(-n2nccn2)cc1)N[C@H]1CCc2ncnn2C1	160967218	LCNQUBFQSQPODH-LBPRGKRZSA-N	324.348	0.995	70	10	DCIE	
CN(C[C@H](O)COc1ccccc1C(N)=S)[C@@H]1CCOC1	159502576	CXZWDXUUCNFILY-NEPJUHHUSA-N	310.419	0.781	70	10	DCIE	
COc1ccc(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)nn1	159542283	DKOUSFHJGGBFFC-LBPRGKRZSA-N	320.393	0.811	70	10	DCIE	
C[C@@H](CC(=O)N1CC(S(=O)(=O)F)C1)NC(=O)OC(C)(C)C	1897481688	OJTGPCDTCIWUEJ-QMMMGPOBSA-N	324.374	0.800	70	10	DCIE	
CCCN(c1cnn(CCO)c(=O)c1Cl)[C@@H]1CCNC1	159396368	SCODFCAEIPWWRG-SNVBAGLBSA-N	300.790	0.467	70	10	DCIE	
Cc1[nH]nc(C(=O)OC[C@H]2COCCO2)c1S(=O)(=O)Cl	2154022347	FPMNHMSGAALDKB-SSDOTTSWSA-N	324.742	0.218	70	10	DCIE	
COCCn1c([C@@]23COC[C@H]2C3)nnc1S(=O)(=O)Cl	689147450	JVDUYHDZBDEUSV-XCBNKYQSSA-N	307.759	0.140	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC12CC(CCO1)C2	2179507329	GOUZWGZPTKSORU-UHFFFAOYSA-N	320.754	0.446	70	10	DCIE	
C[C@H]1[C@@H](C)S(=O)(=O)CCN1CCCCS(=O)(=O)Cl	2050971160	XEDLEOUFYYVQTM-VHSXEESVSA-N	317.860	0.843	70	10	DCIE	
Cn1nnc(-c2nnc(S(=O)(=O)Cl)n2C)c1C(F)F	2088346975	GUQSFWADJPKJLI-UHFFFAOYSA-N	312.689	0.476	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cnc(Cl)nc1	2271499032	AEKFCFDNFBCSHK-SSDOTTSWSA-N	308.722	0.148	70	10	DCIE	
COC(=O)CNC(=O)Nc1ccc(NS(C)(=O)=O)cc1	217282954	QLBZPTWBORTGRR-UHFFFAOYSA-N	301.324	0.353	70	10	DCIE	
O=C(NC[C@H](O)Cn1ccccc1=O)c1ccc2nccnc2c1	218439929	MLGMYANKNRILJG-ZDUSSCGKSA-N	324.340	0.582	70	10	DCIE	
C#CCN[C@@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1275491851	KBHSFACHSNYQRM-IUCAKERBSA-N	301.343	0.403	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cc(N)cc(F)c2C)CCOC1	159910128	HINLSWCQKYLXSK-CYBMUJFWSA-N	318.370	0.800	70	10	DCIE	
O=C(c1nccnc1Cl)N1CCN(S(=O)(=O)F)CC1	1974001597	WXPPWIBFFYXWNN-UHFFFAOYSA-N	308.722	0.102	70	10	DCIE	
Cc1cccc(CC(=O)N2CCN(S(=O)(=O)F)CC2)c1	1974001372	SAJAYQKHXMJNLQ-UHFFFAOYSA-N	300.355	0.896	70	10	DCIE	
CN(C)C(=O)NCCNC(=O)C1(C(N)=S)CCCCC1	160880027	PHNFLFBRTMITFW-UHFFFAOYSA-N	300.428	0.610	70	10	DCIE	
Cc1ncc([B-](F)(F)F)cc1OC[C@@H]1CCS(=O)(=O)N1	2265253819	BPSWGHJSUQTCKK-VIFPVBQESA-N	309.098	0.515	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@]12CCCC[C@@H]1OCC2	2284150993	NWUXECKFPHINKU-JQWIXIFHSA-N	306.359	0.350	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1C[C@@H]2CC[C@H]1O2	2355109950	NPNNMNQKLAOXIF-GARJFASQSA-N	306.359	0.349	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cc1F)[C@H]1CCS(=O)(=O)C1	2116157624	IVJYCFKKUZZTFW-QMMMGPOBSA-N	311.089	0.898	70	10	DCIE	
C[C@H](NCCF)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1282191129	GFMHILXIGABPIB-JGVFFNPUSA-N	309.338	0.739	70	10	DCIE	
CC[C@](C)(O)CN1CCN(S(=O)(=O)CCOC(C)C)CC1	161376951	DRIJRVXEPJPQHI-AWEZNQCLSA-N	322.471	0.520	70	10	DCIE	
O=C(N[C@H]1CCc2ncnn2C1)N1CCN(C2CCCC2)CC1	160982545	ZUISPIISXWPYPX-ZDUSSCGKSA-N	318.425	0.863	70	10	DCIE	
CCOC(=O)[C@@H](C)Nc1ccc(S(=O)(=O)NC)c(N)c1	159595156	RZCCYUMDRWEWPX-MRVPVSSYSA-N	301.368	0.540	70	10	DCIE	
CN1CCC[C@@H](CC(=O)N2CCN(S(=O)(=O)F)CC2)C1	2163657260	WFJJEDMRFZCAFR-NSHDSACASA-N	307.391	0.077	70	10	DCIE	
Cc1cc(S(=O)(=O)F)ccc1OC[C@@H]1CCS(=O)(=O)N1	2191424686	VKNMMHLRIPSRQK-VIFPVBQESA-N	323.367	0.724	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@@]12CCCOC2	2198144395	TVIGOBUDJLOUSK-CMPLNLGQSA-N	306.359	0.065	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(-n2cc(S(C)(=O)=O)cn2)n1	2273543020	JVUXQQFNJAVHRQ-UHFFFAOYSA-N	305.070	0.429	70	10	DCIE	
COCC1(C(=O)N2CC(CS(=O)(=O)F)C2)CC(F)(F)C1	2295559342	ZQQXSCSYKQONDL-UHFFFAOYSA-N	315.313	0.806	70	10	DCIE	
C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)Oc1ccc(O)cc1	217277841	HLUJVNIWQHBUNJ-NXEZZACHSA-N	314.363	0.603	70	10	DCIE	
COC(=O)c1cccnc1[S@@](C)(=O)=NS(=O)(=O)Cl	521399731	MQIRYDSANZZGJM-QGZVFWFLSA-N	312.756	0.809	70	10	DCIE	
CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CC(S(=O)(=O)F)C1	1897481496	MTNPYYIUMSYLIW-VIFPVBQESA-N	322.358	0.506	70	10	DCIE	
CCCc1c(-c2nnc(S(=O)(=O)Cl)n2C)nnn1CC	1923536566	WYDGSFWDBREAOP-UHFFFAOYSA-N	318.790	0.974	70	10	DCIE	
COCCn1c(CCN2CCCC2)nnc1S(=O)(=O)Cl	158068133	PQZJPSXHYRKQAW-UHFFFAOYSA-N	322.818	0.490	70	10	DCIE	
O=C(NC1(CO)CC1)c1ccc(S(=O)(=O)NC2CC2)cc1	160236038	RFGXLQLOUPQIQZ-UHFFFAOYSA-N	310.375	0.382	70	10	DCIE	
C[C@H](NC(=O)c1cnc2c(c1)ncn2C)[C@@H](C)N1CCOCC1	160404274	WGBVBPHJMLLRAE-NWDGAFQWSA-N	317.393	0.807	70	10	DCIE	
Cc1noc(CNS(=O)(=O)c2cc(N)cc(C)c2F)n1	159488483	SCPBMLGQXMLKGF-UHFFFAOYSA-N	300.315	0.886	70	10	DCIE	
CNC[C@@H](C)CNc1cnn(CCN(C)C)c(=O)c1Cl	159872177	UULIIFKZRBANNQ-SNVBAGLBSA-N	301.822	0.726	70	10	DCIE	
Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)C)c(N)c1	160699223	VXNPOIGPAXFSAT-UHFFFAOYSA-N	300.384	0.127	70	10	DCIE	
CO[C@H](C(=O)N1CCC[C@H](S(=O)(=O)F)C1)[C@@H]1CCOC1	2150280136	JICDKNNRBOTXKV-VWYCJHECSA-N	309.359	0.328	70	10	DCIE	
O=C(Cc1cn2ccsc2n1)N1CC(CS(=O)(=O)F)C1	2199696771	YANSSGWNWNVWQM-UHFFFAOYSA-N	317.367	0.696	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)c2cncs2)C1	2078994921	JTXJTEZWTHTRTO-UHFFFAOYSA-N	314.385	0.453	70	10	DCIE	
CCC1(CS(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)COC1	2271537733	XNIFEDGNXPZZMR-SECBINFHSA-N	315.388	0.116	70	10	DCIE	
COc1ccccc1OCNC(=O)NCCN1CCOCC1	217308812	AEYPWFWPMZXBFT-UHFFFAOYSA-N	309.366	0.663	70	10	DCIE	
CC(C)OC[C@@H](O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1	218022662	QJENFFCGZOMFJX-CABCVRRESA-N	314.426	0.343	70	10	DCIE	
O=C(c1nnn2c1CCC2)N1CCC[C@@H](S(=O)(=O)F)C1	2363872222	ZOLVXKQMPUHPNX-MRVPVSSYSA-N	302.331	0.128	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ncncc3[B-](F)(F)F)C[C@H]2C1	2116150186	MZDFDRLHGUZNSQ-YUMQZZPRSA-N	306.098	0.012	70	10	DCIE	
COC[C@H](O)CN(C)S(=O)(=O)c1cccc([C@@H](C)O)c1	218040764	GKDOSTTVNRIYNH-ZYHUDNBSSA-N	303.380	0.368	70	10	DCIE	
NC(=O)C1(NC(=O)CCc2ccc(S(=O)(=O)F)cc2)CC1	1525805164	PUSHPKPIQCARTB-UHFFFAOYSA-N	314.338	0.412	70	10	DCIE	
O=C(NCc1cc(=O)c(O)co1)c1cc(S(=O)(=O)F)c[nH]1	1640005930	HCFKNMHDGVUCRK-UHFFFAOYSA-N	316.266	0.262	70	10	DCIE	
CCCc1n[nH]c(C(=O)NCCOC(C)C)c1S(N)(=O)=O	161476439	VSOWJIIZVQDVQG-UHFFFAOYSA-N	318.399	0.164	70	10	DCIE	
CO[C@H]1CC[C@@H](NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	235027876	SCBPEVAFIOXHGG-SFYZADRCSA-N	321.786	0.943	70	10	DCIE	
CC(C)(C(=O)NCC1CN(S(=O)(=O)F)C1)[C@H]1CCCO1	1974055392	QMHIYQGILZEWSW-SNVBAGLBSA-N	308.375	0.454	70	10	DCIE	
COCCn1c(-c2cc(C)nn2C)nnc1S(=O)(=O)Cl	158076333	MHZAZRZUGQKVFG-UHFFFAOYSA-N	319.774	0.561	70	10	DCIE	
COCCn1c([C@]23C[C@@H](OC)[C@@H]2C3)nnc1S(=O)(=O)Cl	2157485386	DKERXOUXGYQLRN-VAOFZXAKSA-N	321.786	0.528	70	10	DCIE	
COc1nc(N2CC[C@@H](N3CCC3)C2)ncc1[B-](F)(F)F	2172770392	KQOBDFHBOWYDNM-SECBINFHSA-N	301.101	0.824	70	10	DCIE	
COc1nc(N2CC[C@H](N3CCC3)C2)ncc1[B-](F)(F)F	2172770393	KQOBDFHBOWYDNM-VIFPVBQESA-N	301.101	0.824	70	10	DCIE	
CN(C)S(=O)(=O)[C@H]1CCN(c2ncncc2[B-](F)(F)F)C1	2279307070	RENYDGAMOWGNSO-QMMMGPOBSA-N	323.129	0.001	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cc(F)c(F)cc1F	2361241879	IQAIUAWEOYFHKI-UHFFFAOYSA-N	312.244	0.732	70	10	DCIE	
CCOC(=O)N(CCN)C(=O)NCCNC(=O)OC(C)(C)C	217263891	FEFNNFVZPLCKBP-UHFFFAOYSA-N	318.374	0.638	70	10	DCIE	
CC(C)=CNC(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1	218392604	BZYZRWYCJGWWHH-GFCCVEGCSA-N	303.428	0.670	70	10	DCIE	
COc1ccc([C@H](O)CNS(=O)(=O)C2CC2)cc1OC	217359935	JQNBFOLZJOBVLA-LLVKDONJSA-N	301.364	0.819	70	10	DCIE	
COC(=O)Cc1cc(OC)c(O)c(OC)c1S(=O)(=O)F	675064748	RYPORRQSHKSRPQ-UHFFFAOYSA-N	308.283	0.783	70	10	DCIE	
CC(=O)NC(C)(C)C(=O)Nc1ncc(S(=O)(=O)F)s1	1534604406	XDTNIRSVESFKNH-UHFFFAOYSA-N	309.344	0.655	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCN3CCC[C@@H]3C2)cc1N	159651080	MCCPDMORKYZWIB-GFCCVEGCSA-N	310.423	0.461	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(C)C2CCN(C)CC2)cc1N	159553679	NALOCJXDIPTBSI-UHFFFAOYSA-N	312.439	0.707	70	10	DCIE	
COC[C@]12C[C@](c3nnc(S(=O)(=O)Cl)n3C)(CO1)C2	2141138023	QHJIIQHUXIBHSC-MGCOHNPYSA-N	307.759	0.190	70	10	DCIE	
COCCn1ncc(N2C[C@@H](C)C[C@H](N)C2)c(Cl)c1=O	159800424	SISNEYCWAKENGJ-UWVGGRQHSA-N	300.790	0.717	70	10	DCIE	
CCO[C@@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C1	2174880162	IQGODSZFFZVLQF-WDEREUQCSA-N	308.375	0.550	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1[C@H](C)C(=O)N(C)C	2182343384	IADKTAXUTBWCBI-MRVPVSSYSA-N	323.802	0.996	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@@H]3CC[C@@H]3C2)[nH]1	2189009977	RTSBHABRAIXLTN-BRPSZJMVSA-N	301.343	0.875	70	10	DCIE	
Cn1nc(C(=O)O)c(S(=O)(=O)Cl)c1Br	307339584	RVTXNOJWJPSGCX-UHFFFAOYSA-N	303.521	0.808	70	10	DCIE	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CN2CCC1CC2	1347458030	QZBMQLUGNUGMRP-GFCCVEGCSA-N	315.370	0.839	70	10	DCIE	
CCN1CC(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	381925506	PXCFYYAQFUCQRI-UHFFFAOYSA-N	322.383	0.327	70	10	DCIE	
O=C1C[C@@]2(CCCS(=O)(=O)C2)[C@H](CS(=O)(=O)Cl)O1	675052241	BWUUPXMXOWMFSX-IONNQARKSA-N	316.784	0.066	70	10	DCIE	
COc1cc2c(cc1OC)CN(CC(=O)NC1(CO)CC1)CC2	160299007	PQBWIZMCHFFZJC-UHFFFAOYSA-N	320.389	0.703	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1C(=O)[C@H](N)c1cccs1	159700149	GMHWLSVYEAXMGO-CMPLNLGQSA-N	311.407	0.500	70	10	DCIE	
C[C@H]1C[C@@H](N)CCN1c1cnn(CCN(C)C)c(=O)c1Cl	159929026	ZMVBQFUZPSZVOT-QWRGUYRKSA-N	313.833	0.774	70	10	DCIE	
CO[C@H](C(=O)N1CCC[C@@H](S(=O)(=O)F)C1)[C@@H]1CCOC1	2150280134	JICDKNNRBOTXKV-MXWKQRLJSA-N	309.359	0.328	70	10	DCIE	
CCc1[nH]nc(C(=O)N2CCO[C@H]3C[C@@H]32)c1S(=O)(=O)Cl	2171920840	LBLXABUMHOTLLC-YUMQZZPRSA-N	319.770	0.513	70	10	DCIE	
Cc1nc(N(C)CCN(C)C2COC2)ncc1[B-](F)(F)F	2173115982	WVEMYUKCNDSTQJ-UHFFFAOYSA-N	303.117	0.606	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]32)c1S(=O)(=O)Cl	2176535074	QYTPYTDEWPGGHQ-KWPFTWCOSA-N	319.770	0.417	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@]12CCC[C@@H]1CSC2	2268806345	UCFGWJSRRPSFDL-KCJUWKMLSA-N	308.400	0.534	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1snnc1C1CC1	2361147391	HFQXKNIEOGSSOY-ZETCQYMHSA-N	320.371	0.434	70	10	DCIE	
CCCCn1c(=O)nc(O)c2cc(S(=O)(=O)F)cnc21	675063403	RVVLVEUHUKWMPL-UHFFFAOYSA-N	301.299	0.955	70	10	DCIE	
CCCN(CCS(C)(=O)=O)c1ncncc1[B-](F)(F)F	2116147021	ZUNQIBNQBUEOIE-UHFFFAOYSA-N	310.130	0.792	70	10	DCIE	
CS(=O)(=O)[C@H]1CCN(c2ncc(F)cc2[B-](F)(F)F)C1	2132074008	SXNQLWBBHUNUAF-QMMMGPOBSA-N	311.089	0.898	70	10	DCIE	
COC[C@H](C)NS(=O)(=O)c1ccc(OCCCO)cc1	217296750	QIALWWBQHSVICX-NSHDSACASA-N	303.380	0.761	70	10	DCIE	
O=C(NNC(=O)c1cccc(S(=O)(=O)F)c1)c1cn[nH]c1	1530265567	AHRULHFQZQQEQN-UHFFFAOYSA-N	312.282	0.143	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@]2(C)CCCS2)[nH]1	1923166566	AMPPIYOUBUZPSA-SNVBAGLBSA-N	307.372	0.724	70	10	DCIE	
Cn1cc(NC(=O)C(=O)N2CC[C@@H](Oc3cccnc3)C2)cn1	161007582	AVFXFYAUCCEPLQ-CYBMUJFWSA-N	315.333	0.434	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccc([C@@H](C)O)cc2)CCOC1	161088937	MCZSIDBKUSTAEV-RISCZKNCSA-N	315.391	0.824	70	10	DCIE	
CC[C@@H]1CN(C(=O)C(=O)Nc2nocc2C)CCN1CCOC	161240831	BVMXOMPASJFTIG-GFCCVEGCSA-N	324.381	0.491	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1c1cc(C(N)=S)ccn1	159803582	VMMVRQCFTBYZNP-LLVKDONJSA-N	308.407	0.447	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1c1cccc(C(N)=S)n1	159811968	MOOQEOYKRJOYMG-LLVKDONJSA-N	308.407	0.446	70	10	DCIE	
Cn1cnc2cc(C(=O)N3CCC[C@H]3C(=O)NC3CC3)cnc21	159701740	OLQJRBUGOXNAEX-ZDUSSCGKSA-N	313.361	0.852	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1(Br)CC1	1974055811	WQKNSKROVJWJFB-UHFFFAOYSA-N	315.164	0.176	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1[C@H]2CCOC[C@@H]21	1974394481	JQBKAYQDBGDGDN-GARJFASQSA-N	306.359	0.064	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N[C@@H](C)CS(C)(=O)=O)c1F	159534111	PTWQHVHIZRJCOG-QMMMGPOBSA-N	324.399	0.428	70	10	DCIE	
COc1nc(N2C[C@H]3C(N(C)C)[C@@H]3C2)ncc1[B-](F)(F)F	2172771437	ZTGIKGPDHNHOKP-HTQZYQBOSA-N	301.101	0.536	70	10	DCIE	
O=c1nc(Cn2cc(S(=O)(=O)Cl)nc2C2CCC2)[nH]o1	2173284785	QSDFNSWWJUWJAQ-UHFFFAOYSA-N	318.742	0.803	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2C[C@H]3COC[C@@H]32)c1	2186345241	RGRHWIHZEDHMMA-KWQFWETISA-N	321.351	0.364	70	10	DCIE	
CNC(=O)COc1cc(C)c(S(=O)(=O)F)cc1[N+](=O)[O-]	2191414526	RLFRHWYUNVBBGW-UHFFFAOYSA-N	306.271	0.686	70	10	DCIE	
CS(=O)(=O)N1CCC[C@@H](OCCCS(=O)(=O)Cl)C1	2257816913	CEJYFEVLQUEKSE-SECBINFHSA-N	319.832	0.386	70	10	DCIE	
O=C(c1ccn(C(F)(F)F)n1)N1CC(S(=O)(=O)F)C1	2277840303	BGYCUCROLZJQRA-UHFFFAOYSA-N	301.221	0.483	70	10	DCIE	
CN1CC[C@@H](OC(=O)c2cc(S(=O)(=O)Cl)cn2C)C1	1893432143	TUCBAWZCTSVVHX-MRVPVSSYSA-N	306.771	0.814	70	10	DCIE	
CC(C)NC1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	161356196	IRJCOKFQAXTGML-ZDUSSCGKSA-N	306.414	0.765	70	10	DCIE	
CCCNc1ncc(Cl)c(N2CCOC[C@@H]2C(=O)NC)n1	160544751	ZDMLUVVYHNFZEH-SNVBAGLBSA-N	313.789	0.903	70	10	DCIE	
CCS(=O)(=O)[C@H]1CSCCN1C(=O)N[C@@H]1CCOC1	160662744	KKVYHIZKXZZKMS-ZJUUUORDSA-N	308.425	0.295	70	10	DCIE	
C[C@H]1C[C@H]1CNS(=O)(=O)c1cnn(CCCNC2CC2)c1	160851405	WGDSRFICQVOOIO-RYUDHWBXSA-N	312.439	0.960	70	10	DCIE	
O=C(c1ccnn1[C@H]1CC1(F)F)N1CC(S(=O)(=O)F)C1	1968215215	BQNNMDCVDZNRPM-QMMMGPOBSA-N	309.269	0.587	70	10	DCIE	
C#CCN(CC#C)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1969912601	DKSVWOSYBHMPFK-UHFFFAOYSA-N	315.347	0.602	70	10	DCIE	
O=S(=O)(F)c1cc(S(=O)(=O)Cl)c2nonc2c1	2001768829	QLFDZIIULHZFQN-UHFFFAOYSA-N	300.676	0.809	70	10	DCIE	
CC(F)(F)C(C)(C)C(=O)NCC1CN(S(=O)(=O)F)C1	1974055122	MWNFPUKLZPQBLT-UHFFFAOYSA-N	302.318	0.930	70	10	DCIE	
CO[C@H](C(=O)NCC1CN(S(=O)(=O)F)C1)C1CCCC1	1974054459	DDZRCONSQPLEOH-NSHDSACASA-N	308.375	0.454	70	10	DCIE	
CC(C)(C)c1nc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)n[nH]1	2144732638	HSTMJKURGHXULL-SSDOTTSWSA-N	304.347	0.616	70	10	DCIE	
COCCOCCCCNS(=O)(=O)c1c[nH]ccc1=O	159871337	OCRSBZPOYLZHDJ-UHFFFAOYSA-N	304.368	0.096	70	10	DCIE	
COC[C@H]1CN(c2ncc([B-](F)(F)F)cn2)C[C@@H]1COC	2172785092	IGZWTDGIYKWYTD-NXEZZACHSA-N	304.101	0.876	70	10	DCIE	
Cc1ncnc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)c1C	2206520379	LHCWFQYSUMAWIZ-SNVBAGLBSA-N	301.343	0.997	70	10	DCIE	
O=S(=O)(c1cnc(O)nc1O)N1CC[C@@H]([B-](F)(F)F)C1	2342480991	GFQLZPQNGWULHG-RXMQYKEDSA-N	312.058	0.500	70	10	DCIE	
NC(=O)[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C[B-](F)(F)F)C1	1955896389	RDMUVZASPRXHRH-WDSKDSINSA-N	320.022	0.227	70	10	DCIE	
CCn1c([C@@H](C)S(C)(=O)=O)nnc1S(=O)(=O)Cl	168027413	HBCLWBPTTKHKLO-RXMQYKEDSA-N	301.777	0.331	70	10	DCIE	
CCS(=O)(=O)NC1CN(c2ccc([B-](F)(F)F)cn2)C1	2116139468	ZVZNBFAIOHJAPV-UHFFFAOYSA-N	308.114	0.264	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC1[C@@H]2COC[C@@H]12	2132393294	SRWIJTRSTNWWKJ-IUCAKERBSA-N	306.771	0.849	70	10	DCIE	
Cn1ncc(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)n1	1437944829	ROZBMBSHOJKOHH-UHFFFAOYSA-N	302.262	0.865	70	10	DCIE	
COc1nccc(C(=O)Nc2ncc(S(=O)(=O)F)s2)n1	1596009984	BZXJXNNVYHBAHV-UHFFFAOYSA-N	318.311	0.852	70	10	DCIE	
N[C@@H]1CCCc2c1ccc(=O)n2CC(=O)NCC(F)(F)F	161061801	JYCTYOOGVGQUSY-SECBINFHSA-N	303.284	0.863	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccccc1C	160518140	GYSPVZZGZGJIGE-GFCCVEGCSA-N	312.391	0.521	70	10	DCIE	
CNS(=O)(=O)c1ccc(NC[C@H]2CCCN(C)C2)cc1N	159606797	VKJDSDLDUIDFFP-LLVKDONJSA-N	312.439	0.931	70	10	DCIE	
C[C@H](O)C(=O)N1CCN(C(=O)c2ccc3c(c2)N(C)CC3)CC1	159492835	VEMBBRVXAVPSMY-LBPRGKRZSA-N	317.389	0.344	70	10	DCIE	
C[C@H](CNC(=O)c1cccc(-c2ncn[nH]2)c1)N1CCOCC1	159976392	GMYMUZYADZALBG-GFCCVEGCSA-N	315.377	0.922	70	10	DCIE	
C[C@H]1C[C@]2(CCS1(=O)=O)CC(=O)N2S(=O)(=O)Cl	1946393462	WDZFODLTVGHINQ-POYBYMJQSA-N	301.773	0.038	70	10	DCIE	
COc1cc2ncc(=O)n(CCS(=O)(=O)F)c2cc1OC	883953030	FAIMZVXSQREPAN-UHFFFAOYSA-N	316.310	0.713	70	10	DCIE	
CC(C)c1c[nH]nc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974014512	JTMTZZVBLFJKKG-UHFFFAOYSA-N	304.347	0.505	70	10	DCIE	
NNc1nnc(CN2C(=O)c3ccccc3S2(=O)=O)s1	159686607	JRKFRZKZYHEGCI-UHFFFAOYSA-N	311.348	0.168	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cccc(CN)c2)CCOC1	160170586	UFECOLDSYYWWFT-CYBMUJFWSA-N	300.380	0.229	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N(C)C[C@H]2COCCO2)n1	2172757990	KCHOIEHIPRZPJX-JTQLQIEISA-N	304.101	0.999	70	10	DCIE	
CN1CC[C@H]2OCCN(c3ncc([B-](F)(F)F)cn3)[C@H]2C1	2185497845	SRXJQOMMGPDUDO-WDEREUQCSA-N	301.101	0.440	70	10	DCIE	
O=C(CCN1CCSC1=O)N1CC(CCS(=O)(=O)F)C1	2199687314	GYMSIPDKJUQWTB-UHFFFAOYSA-N	324.399	0.693	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1OC[C@@H]2CCC[C@H]21	2233179751	BMXRBQXUXVXAHX-HBNTYKKESA-N	306.359	0.064	70	10	DCIE	
O=C(N1CC(CS(=O)(=O)F)C1)[C@@]12CC[C@@](CF)(C1)OC2	2290484036	BBWJCFPUOFTVNX-RYUDHWBXSA-N	309.334	0.653	70	10	DCIE	
C[C@@]12CC[C@@](C(=O)N[C@H]3CCN(S(=O)(=O)F)C3)(CO1)C2	2287070320	TUKLZVSSRNWGKU-DLOVCJGASA-N	306.359	0.350	70	10	DCIE	
Cc1[nH]nc(C(=O)OCC23CC(CO2)C3)c1S(=O)(=O)Cl	2289212353	WFJHNEBKLWCOOH-UHFFFAOYSA-N	320.754	0.981	70	10	DCIE	
C[C@@](O)(CO)CNC(=O)/C=C\c1ccc(Br)o1	218160027	IQERAYKEJQSBSZ-MZBZXASESA-N	304.140	0.915	70	10	DCIE	
CCOC(=O)CN(C)C(=O)/C=C\S(=O)(=O)c1ccccc1	218187780	PFICYNZZPDADFE-KTKRTIGZSA-N	311.359	0.996	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)C2CC=CC2)n1	2132432552	BBWHPTPMNQNZGS-UHFFFAOYSA-N	309.344	0.539	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cnccc2Cl)[nH]1	1923140675	DMHDZCOWOSQRSW-UHFFFAOYSA-N	318.717	0.801	70	10	DCIE	
O=C(NC1CC1)[C@H]1COCCN1c1ncnc(Cl)c1CO	160093542	QNLUTAOVZKLXIG-SNVBAGLBSA-N	312.757	0.106	70	10	DCIE	
CCc1nc(C(=O)NCC2CN(S(=O)(=O)F)C2)cs1	1974055943	YDNTYLWUSANODX-UHFFFAOYSA-N	307.372	0.581	70	10	DCIE	
CN([C@H]1CCOC1)S(=O)(=O)c1ccc(F)c(C(N)=S)c1	159444169	XGOONLVQFZDHAB-QMMMGPOBSA-N	318.395	0.869	70	10	DCIE	
O=C(C[C@@H]1CN2CCC1CC2)N1CC[C@H](S(=O)(=O)F)C1	2151301540	VGNUXKMTZUFUFW-NEPJUHHUSA-N	304.387	0.619	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)c2cncs2)C1	2031781382	KSHXSDVWBFJJJC-SSDOTTSWSA-N	314.385	0.596	70	10	DCIE	
O=S(=O)(NC1CN(c2ccncc2[B-](F)(F)F)C1)C1CC1	2172776423	PKXQJBFNKWVBRD-UHFFFAOYSA-N	320.125	0.406	70	10	DCIE	
CO[C@@H]1CC(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)C[C@H]1OC	2174879114	ALFNRVXFDMXQIF-GMTAPVOTSA-N	309.359	0.327	70	10	DCIE	
O=S(=O)(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CC12CCC2	2271506326	QJQRLOKRNRTIJR-BDAKNGLRSA-N	312.388	0.137	70	10	DCIE	
COc1nc(N2[C@H]3CC[C@@H]2CN(C)C3)ncc1[B-](F)(F)F	2234734469	NBAYJEPAZRMKKJ-DTORHVGOSA-N	301.101	0.822	70	10	DCIE	
C[C@]1(C(F)F)C[C@@H]1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271484572	FDYHHHLQFVNINO-PJKMHFRUSA-N	300.302	0.683	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CC[C@@]2(C1)CC2(F)F	2284151781	SUKPENWKBAEYNI-OIBJUYFYSA-N	312.313	0.827	70	10	DCIE	
CS(=O)(=O)[C@H]1C[C@H](COCCCS(=O)(=O)Cl)C1	2307512657	OEJYTGMJRKPTPK-KYZUINATSA-N	304.817	0.785	70	10	DCIE	
CN(C)C(=O)c1ccc(SCCS(=O)(=O)Cl)nn1	124856899	DXMFOQWBEJYDSQ-UHFFFAOYSA-N	309.800	0.839	70	10	DCIE	
O=S(=O)(Cl)C[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1	958678126	BLXBHYINTACJEU-RKDXNWHRSA-N	302.801	0.539	70	10	DCIE	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NC1(C(N)=O)CC1	1356202577	ZBSCJFKJQLXHTI-UHFFFAOYSA-N	300.311	0.401	70	10	DCIE	
CCOc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1CO	217296711	BPZSLDLPUKJWGA-JTQLQIEISA-N	303.380	0.891	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ccnc(Cl)n2)[nH]1	1923163141	BKCOGZICYOOWMG-UHFFFAOYSA-N	319.705	0.196	70	10	DCIE	
Nc1cc(F)ccc1-c1nnnn1[C@@H]1CCCS(=O)(=O)C1	160040202	DYYGGCGLFVFUCL-SECBINFHSA-N	311.342	0.811	70	10	DCIE	
CCCNC(=O)CNC(=O)c1cc(Cn2cc(C)cn2)on1	160274645	NOODAAUZKSCVCX-UHFFFAOYSA-N	305.338	0.484	70	10	DCIE	
COc1ccc(S(N)(=O)=O)cc1CC(=O)NC[C@@H]1C[C@@H]1C	160326662	XYIUHIRQJRXHEC-ONGXEEELSA-N	312.391	0.657	70	10	DCIE	
C[C@H](CO)N(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1	160389929	XDGYDKUSRIPKNU-SECBINFHSA-N	305.783	0.953	70	10	DCIE	
CNC(=O)[C@H]1COCCN1C(=O)c1cc(F)c(F)c(F)c1	159507008	RSWSQSSOSVOIIY-SNVBAGLBSA-N	302.252	0.691	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2c(F)cc(N)cc2F)CCOC1	159907353	VQLOEMKVQXVNMU-LBPRGKRZSA-N	322.333	0.631	70	10	DCIE	
CCc1nc(CN2CCCC[C@@H](N3CCN(C)CC3)C2)n[nH]1	159378053	KETAESUOTKKIJO-CQSZACIVSA-N	306.458	0.969	70	10	DCIE	
Cc1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)ccc1S(N)(=O)=O	159971248	LJHZSVFDIMPWDC-BETUJISGSA-N	323.418	0.609	70	10	DCIE	
Cc1noc(C)c1CCC(=O)N1CC(CS(=O)(=O)F)C1	1968216244	VFSOPGUWWIDXHA-UHFFFAOYSA-N	304.343	0.982	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)c1F	159459214	YIZFKXYGZVMSQL-SECBINFHSA-N	301.343	0.355	70	10	DCIE	
O=C([C@H]1C[C@H]1Br)N1CCN(S(=O)(=O)F)CC1	1991400692	XSWWSWWBQSDQSH-NKWVEPMBSA-N	315.164	0.128	70	10	DCIE	
C[C@]1(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CCOC1	163335751	DLWMBFGPIMDWMZ-NSHDSACASA-N	323.367	0.802	70	10	DCIE	
CCc1nn(Cc2nc(=O)o[nH]2)c(CC)c1S(=O)(=O)Cl	2173284540	HBNUHZJPMREZFH-UHFFFAOYSA-N	320.758	0.660	70	10	DCIE	
Cc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)s1	2256723025	VGNLIOYMUMQMSW-UHFFFAOYSA-N	314.385	0.233	70	10	DCIE	
O=S(=O)(CC1CCCCC1)NC1CN(S(=O)(=O)F)C1	2268775388	VGEKALFQTDIMIV-UHFFFAOYSA-N	314.404	0.385	70	10	DCIE	
CS(=O)(=O)[C@H]1C[C@@H](COCCCS(=O)(=O)Cl)C1	2307519026	OEJYTGMJRKPTPK-DTORHVGOSA-N	304.817	0.785	70	10	DCIE	
Cc1ncnc(N2CCS(=O)(=O)C[C@H]2C)c1[B-](F)(F)F	2116131265	VIZKKDDSJGOEOR-SSDOTTSWSA-N	308.114	0.463	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@@H](C)N1CCOCC1	2132115527	KNHNOIFMMMJDQD-SECBINFHSA-N	307.803	0.840	70	10	DCIE	
CN1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@H]21	1520301815	AOKHFWIWVATSSU-JOYOIKCWSA-N	315.370	0.839	70	10	DCIE	
CCCC(=O)N(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1528673606	VSXWATZQHGQWPZ-UHFFFAOYSA-N	319.358	0.661	70	10	DCIE	
CC(C)CC(=O)NCCC(=O)NCCCCN1CCOCC1	160680404	HBKAZCVSHCVOCO-UHFFFAOYSA-N	313.442	0.767	70	10	DCIE	
O=S(=O)(CC1CCNCC1)N1CC[C@]2(O)CCCC[C@H]2C1	160802178	IZDTXRLZQJOOLB-LSDHHAIUSA-N	316.467	0.943	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@@H]2CCC(=O)N(C)C2)cc1N	159636061	PKGMFTCHQDVJTG-SNVBAGLBSA-N	312.395	0.210	70	10	DCIE	
C[C@H]1CN(c2cnn(CCN(C)C)c(=O)c2Cl)C[C@H](C)N1	159451288	MNEZYEQNKJOVNS-QWRGUYRKSA-N	313.833	0.645	70	10	DCIE	
CN(C[C@@H]1CO[C@H]2COC[C@H]12)c1ncncc1[B-](F)(F)F	2172772402	MZTJEPWWMWHWFX-KKZNHRDASA-N	302.085	0.629	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)[C@H]2CS(=O)(=O)C2(C)C)n1	2172768436	JADLZUIWVJREFQ-VIFPVBQESA-N	322.141	0.851	70	10	DCIE	
CC[C@@]1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CCCO1	2169028156	RPKSFQMOPQQCRZ-LBPRGKRZSA-N	308.375	0.741	70	10	DCIE	
CO[C@H]1C[C@H]1CN(C)C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2188246578	MGZHJEVHVNWFGG-YUMQZZPRSA-N	321.786	0.753	70	10	DCIE	
Cc1nc(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)cs1	2078995967	BJDSLDORCWHAND-UHFFFAOYSA-N	314.385	0.371	70	10	DCIE	
CCc1cc(C(=O)N2CC(CCS(=O)(=O)F)C2)n(C)n1	2199698607	PHZPDHJTMWGIQM-UHFFFAOYSA-N	303.359	0.744	70	10	DCIE	
CC[C@H]1CC[C@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)O1	2201411266	ZZGVUFVUDWYRAH-JGVFFNPUSA-N	322.770	0.834	70	10	DCIE	
O=C(c1cnc(Br)cn1)N1CC(S(=O)(=O)F)C1	2215788454	TURUCWLOUQJHSG-UHFFFAOYSA-N	324.131	0.363	70	10	DCIE	
COC[C@]1(C)C[C@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2284683004	RGFQTAMANIFGKB-CPCISQLKSA-N	305.331	0.111	70	10	DCIE	
O=C(CCOCC(F)F)N[C@H]1CCN(S(=O)(=O)F)C1	2271491426	IXNQMFCVYURMDN-ZETCQYMHSA-N	304.290	0.063	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2C[C@H]3CS(=O)(=O)[C@H]3C2)n1	2361647860	JLNNFRIGFLXQGF-IUCAKERBSA-N	320.125	0.381	70	10	DCIE	
CCc1ccccc1OCNC(=O)N1CCN(CCN)CC1	217309931	VGGSZCRRTZVSQQ-UHFFFAOYSA-N	306.410	0.871	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CC(=O)NCCC#N	215749171	TZVVOJVRWJHJCF-UHFFFAOYSA-N	304.759	0.403	70	10	DCIE	
COCCn1c([C@H]2CCCN(C)C2)nnc1S(=O)(=O)Cl	705917658	PUVYQWDXJACSSF-VIFPVBQESA-N	322.818	0.661	70	10	DCIE	
Cc1nnc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)s1	698364624	FZGJDVVLVJWJBP-UHFFFAOYSA-N	323.743	0.927	70	10	DCIE	
CN(C[C@H]1CCCS1(=O)=O)c1ncncc1[B-](F)(F)F	2116139128	VJGUEBKOGGZHRY-MRVPVSSYSA-N	308.114	0.544	70	10	DCIE	
O=C(OCCn1cccn1)c1cc(S(=O)(=O)Cl)c[nH]1	2127978069	IOXNACOEMNBPFK-UHFFFAOYSA-N	303.727	0.996	70	10	DCIE	
C#CCN(CC)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1265134249	NMVUYIWKYROBGH-UHFFFAOYSA-N	315.370	0.748	70	10	DCIE	
CS(=O)(=O)CCn1nc(C(F)F)cc1S(=O)(=O)Cl	203535609	SJHJXMVXMMBANM-UHFFFAOYSA-N	322.742	0.793	70	10	DCIE	
COCCn1c(CC[C@@H](C)OC)nnc1S(=O)(=O)Cl	228514102	DQAVELIGQVZVGG-MRVPVSSYSA-N	311.791	0.820	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C(C)(C)O)[C@H](C)CO1	161127228	FGPLXCQBDMUXBD-IJLUTSLNSA-N	306.428	0.576	70	10	DCIE	
Cc1ccc([C@@H](O)CNC(=O)N[C@H]2CCc3ncnn3C2)cc1	161329707	PEQAQOYOVYRTDK-KBPBESRZSA-N	315.377	0.934	70	10	DCIE	
CNS(=O)(=O)CCCN1CCC([C@H](O)C(F)(F)F)CC1	161458031	MJRVSDLHFZCBRC-JTQLQIEISA-N	318.361	0.561	70	10	DCIE	
C[C@H]1OCC[C@@H]1N(C)C(=O)c1cc(F)ccc1S(N)(=O)=O	160507692	BFZXKSHHLCPTIC-KCJUWKMLSA-N	316.354	0.723	70	10	DCIE	
COC(=O)Cn1ncc(N[C@@H]2CCCNC2)c(Cl)c1=O	159397283	MODUSJRBSLNWKX-MRVPVSSYSA-N	300.746	0.234	70	10	DCIE	
CCn1c([C@H]2CCCS2(=O)=O)nnc1S(=O)(=O)Cl	694089335	UMQCVIKIASTWOH-ZCFIWIBFSA-N	313.788	0.475	70	10	DCIE	
CN(C[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21)c1ccncc1[B-](F)(F)F	2174648302	LQXYHCGQWAWWSM-ILWJIGKKSA-N	319.137	0.863	70	10	DCIE	
CCn1c([C@@H](OC)[C@H]2CCOC2)nnc1S(=O)(=O)Cl	2093879363	OBAHBFITZSWRGK-YUMQZZPRSA-N	309.775	0.950	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@]12CCC[C@H]1CSC2	2201868891	CZCXZZXKYQQBKS-JQWIXIFHSA-N	322.427	0.782	70	10	DCIE	
COC[C@]1(C)C[C@@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2284693340	XRXCJELCWSVSOC-CPCISQLKSA-N	321.786	0.800	70	10	DCIE	
CCOC[C@@H](C)NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	115019904	QCFHJFLHUDEQIU-ZCFIWIBFSA-N	309.775	0.800	70	10	DCIE	
Cn1cnn(CC(=O)Nc2nc3ccc(N)cc3s2)c1=O	217091446	PHYGNGMLKASUAB-UHFFFAOYSA-N	304.335	0.412	70	10	DCIE	
COc1cc(NC(=O)NCCCNC=O)cc(OC)c1OC	217268334	SVPMTZDPUCLVTI-UHFFFAOYSA-N	311.338	0.970	70	10	DCIE	
CCN(CC)CCCNS(=O)(=O)N1CCC[C@@H](CO)C1	218641454	FAUPIRVRGNJZQG-CYBMUJFWSA-N	307.460	0.257	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)CC(C)(C)F)n1	1923142633	BUTAGPQNPKCSBV-UHFFFAOYSA-N	317.339	0.568	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cccc([C@@H](C)N)c2)CCOC1	160661407	UXRIFJOUIFIZSW-BXUZGUMPSA-N	314.407	0.790	70	10	DCIE	
C[C@@H]1OC2(C)CC1(C(=O)N1CCN(S(=O)(=O)F)CC1)C2	1974013829	AUIBWGZESZQIAM-GCVQQVDUSA-N	306.359	0.303	70	10	DCIE	
NCC[C@@H]1CCCCN1c1cnn(CCO)c(=O)c1Cl	159500475	CZDZGIIEXJSJBP-JTQLQIEISA-N	300.790	0.597	70	10	DCIE	
CO[C@H]1CC[C@@H]1CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2186930758	YCUPFTGHCLZUPL-SFYZADRCSA-N	321.786	0.800	70	10	DCIE	
O=C(COc1ccccc1)N[C@@H]1CCN(S(=O)(=O)F)C1	2287070570	FTNIWBAUINPHEP-SNVBAGLBSA-N	302.327	0.470	70	10	DCIE	
CCc1ccnc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1	2287066256	VTLINIOVNTWQKD-SNVBAGLBSA-N	301.343	0.662	70	10	DCIE	
NS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1Cl	100649969	NBCVSOCTDXLBRY-UHFFFAOYSA-N	305.164	0.883	70	10	DCIE	
CCN(C(=O)NC=C1CCOCC1)[C@H]1CCS(=O)(=O)C1	218740477	XRDHCRFGBRAUDC-LBPRGKRZSA-N	302.396	0.899	70	10	DCIE	
Cn1cncc1CNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1438634749	KMJQTAJOAOZPEL-UHFFFAOYSA-N	311.338	0.937	70	10	DCIE	
C=CCN(C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1699460355	MHHPWZYYRKRESR-VIFPVBQESA-N	303.359	0.909	70	10	DCIE	
CNC(=O)c1cccc(CCC(=O)NCC[C@@H](O)COC)c1	161070867	TZMFMQNRVDAATQ-CQSZACIVSA-N	308.378	0.492	70	10	DCIE	
COCc1ccc(C(=O)NC[C@@H]2C[C@@H]2C)cc1S(N)(=O)=O	160325296	RHLJVJAPGGNHOR-CABZTGNLSA-N	312.391	0.866	70	10	DCIE	
Cc1ccc(O)c(CN2CCN(C(=O)[C@H]3CCCO3)CC2)n1	160976603	JSCZXACOAYEZIH-OAHLLOKOSA-N	305.378	0.919	70	10	DCIE	
NC(=S)c1cccnc1N1CCOC[C@@H]1C(=O)NC1CC1	159808212	WCKFAMRWAGWHHC-LLVKDONJSA-N	306.391	0.200	70	10	DCIE	
CC[C@](C)(C(=O)N1CCOC[C@H]1C(=O)NC(C)C)C(N)=S	159784032	VPCHLBTVHPDRLH-HZMBPMFUSA-N	315.439	0.441	70	10	DCIE	
CCn1ccc(-c2nnc(S(=O)(=O)Cl)n2CCOC)n1	2153899083	NKLJMFJHHFYJIG-UHFFFAOYSA-N	319.774	0.735	70	10	DCIE	
CS(=O)(=O)N1CCC(Oc2cncc([B-](F)(F)F)c2)CC1	701610774	BEHBEYXYKYUGPF-UHFFFAOYSA-N	323.125	0.939	70	10	DCIE	
C[C@H]1CC(C(=O)N2CCN(S(=O)(=O)F)CC2)C[C@H](C)O1	2163664781	GEZZZAPIPISXHW-UWVGGRQHSA-N	308.375	0.549	70	10	DCIE	
COC[C@H]1C[C@@H]1CNC(=O)c1cc(S(=O)(=O)Cl)cn1C	2189953701	MLFNQJFJGSDDCO-RKDXNWHRSA-N	320.798	0.965	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1C[C@]12CCCOC2	2198144397	TVIGOBUDJLOUSK-PWSUYJOCSA-N	306.359	0.065	70	10	DCIE	
CC1CC(CS(=O)(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2271501126	PEPHEBAPABKXBX-RTBKNWGFSA-N	314.404	0.241	70	10	DCIE	
C[C@H](C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCCCO1	2287063081	MRWXOWXLYIVSFR-AXFHLTTASA-N	308.375	0.596	70	10	DCIE	
Cc1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cc1O	2287072421	LZLKQNNNDLXYEE-JTQLQIEISA-N	302.327	0.719	70	10	DCIE	
CN1CC[C@@H]1COC(=O)c1cc(S(=O)(=O)Cl)cn1C	2335383703	AASIGJSOKBHLKU-MRVPVSSYSA-N	306.771	0.814	70	10	DCIE	
CN(C)CCN(C(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1	217313507	SHNILCDAOKCMIC-LLVKDONJSA-N	305.444	0.545	70	10	DCIE	
O=C(Cn1ncccc1=O)NC[C@@H]1CCCN1c1nccs1	217773374	UBJZAAVUTUNAET-NSHDSACASA-N	319.390	0.485	70	10	DCIE	
CC(C)(CO)NC(=O)NCCN1C(=O)c2ccccc2C1=O	217282386	RTXXRCPFXVBCJL-UHFFFAOYSA-N	305.334	0.353	70	10	DCIE	
COCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	166156250	KEEBSOTYBZZCLO-UHFFFAOYSA-N	311.356	0.612	70	10	DCIE	
O=[N+]([O-])c1nn(CCN2CCOCC2)cc1S(=O)(=O)Cl	215901912	RAVIGJOXKFYAQU-UHFFFAOYSA-N	324.746	0.051	70	10	DCIE	
CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1CO	217948968	GBUJFXDOTUALCS-IJLUTSLNSA-N	304.412	0.078	70	10	DCIE	
COC(=O)CN(CC(=O)OC)c1cc(C(N)=S)cc(C)n1	161298730	GLZQAEUXNXANPF-UHFFFAOYSA-N	311.363	0.177	70	10	DCIE	
CCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)[C@@H](C)CO)c1	160438962	WDPMEWUIBTXJRK-VIFPVBQESA-N	318.370	0.577	70	10	DCIE	
C[C@@H](N)c1ccc(S(=O)(=O)NCCNC(=O)C2CC2)cc1	160824698	CGRGGHLWSZQWNS-SNVBAGLBSA-N	311.407	0.511	70	10	DCIE	
CNc1cc(S(=O)(=O)NCC(=O)NC(C)(C)C)ccn1	159971863	NODVZCIVGXUYJK-UHFFFAOYSA-N	300.384	0.316	70	10	DCIE	
COc1nn(Cc2cn(C)cn2)c(OC)c1S(=O)(=O)Cl	2151451854	IOLYYXWZMXXEKR-UHFFFAOYSA-N	320.758	0.610	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)CC(F)(F)F)C1	2028130103	PCRSWRXYCJEWBM-LURJTMIESA-N	313.294	0.642	70	10	DCIE	
O=C(Cc1ccc(S(=O)(=O)Cl)s1)NCC1COC1	2036602429	MXOBKZWVMWIHIV-UHFFFAOYSA-N	309.796	0.981	70	10	DCIE	
Cc1ncnc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)c1[B-](F)(F)F	2172766015	ZUNJOGXRMAWOAY-IUCAKERBSA-N	320.125	0.463	70	10	DCIE	
CCN(CC)[C@@H](C)Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2177602375	TUOMQLBVYSODKK-QMMMGPOBSA-N	323.802	0.607	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1C[C@@H]2C[C@@H]2CO1	2179429651	PMULQUXELGWUNO-RNJXMRFFSA-N	320.754	0.301	70	10	DCIE	
Cc1nnc(S(=O)(=O)CCS(=O)(=O)Cl)c(C)c1C	2055774302	IMAIWTHWSASBPT-UHFFFAOYSA-N	312.800	0.744	70	10	DCIE	
C[C@@H](C#N)CS(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2110220589	ZYHJCWOIOOLEIX-ZETCQYMHSA-N	307.328	0.641	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1coc(C(F)(F)F)n1	2284152397	ZXEFGSSJPMKSPR-UHFFFAOYSA-N	317.220	0.322	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cc(C2CC2)on1	2287076875	BNFLXDOIXWUVET-QMMMGPOBSA-N	303.315	0.570	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)CC(C)(C)S(C)(=O)=O	713899303	JGOOPCLNHBUXQV-UHFFFAOYSA-N	305.849	0.700	70	10	DCIE	
C[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	699720491	BHIXFHOPPBUETO-KCJUWKMLSA-N	323.367	0.658	70	10	DCIE	
CCC[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C(N)=O	1436186268	CCAVJMBEGJODRI-JTQLQIEISA-N	302.327	0.729	70	10	DCIE	
C#CCN[C@H](CC)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1715087054	ZXHSETQUEWMPCT-SECBINFHSA-N	301.343	0.404	70	10	DCIE	
Cc1cc(C[C@H](C)NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)n[nH]1	161182377	SORNLPFDAJZMOT-GXSJLCMTSA-N	316.365	0.542	70	10	DCIE	
CCCn1cc(S(=O)(=O)N(C)CC2(O)CCCC2)c(N)n1	160984942	VDZLQALQRTUQSM-UHFFFAOYSA-N	316.427	0.801	70	10	DCIE	
O=C(CCN1CCSC1=O)N1CCC(S(=O)(=O)F)CC1	1968218477	VPNVMBJECAZIRV-UHFFFAOYSA-N	324.399	0.836	70	10	DCIE	
COCCC1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CC1	1974394676	NCLSVNHJMYDXKK-UHFFFAOYSA-N	308.375	0.598	70	10	DCIE	
COCCn1ncc(N2C[C@H](CN)C[C@H]2C)c(Cl)c1=O	159983860	DKYGLZGPENDXNS-ZJUUUORDSA-N	300.790	0.717	70	10	DCIE	
CC(C)n1c([C@H]2CN3CCN2CC3)nnc1S(=O)(=O)Cl	2155748857	NJYSBYBMIVKALO-SECBINFHSA-N	319.818	0.459	70	10	DCIE	
Cc1nc(N2C[C@@H]3OCCN(C)[C@H]3C2)ccc1[B-](F)(F)F	2172786746	VVRVCXVWKLBHIJ-RYUDHWBXSA-N	300.113	0.964	70	10	DCIE	
CN([C@@H]1CCN(c2ncncc2[B-](F)(F)F)C1)S(C)(=O)=O	2172771663	CSMAWRULRYUPBU-MRVPVSSYSA-N	323.129	0.001	70	10	DCIE	
CCN1CC(CN(C)c2ncc([B-](F)(F)F)c(OC)n2)C1	2172765590	UAXFJWDUCGZQSD-UHFFFAOYSA-N	303.117	0.928	70	10	DCIE	
Cc1cc(OC[C@@H]2CCS(=O)(=O)N2)ccc1S(=O)(=O)F	2191424186	PBGDJYLZVBUGMJ-VIFPVBQESA-N	323.367	0.724	70	10	DCIE	
Cc1cc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)ccc1C#N	2199691814	FIYZUFCFNVGNKI-UHFFFAOYSA-N	318.351	0.539	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)C[C@@H]1CCCCO1	2301125643	DZJAXPWUSSIHDG-QMMMGPOBSA-N	305.805	0.044	70	10	DCIE	
Cc1cc2c(cc1C(=O)N1CC[C@@H](CO)[C@H](O)C1)OCCO2	216816673	NOSSLZRFRYEQQJ-WCQYABFASA-N	307.346	0.582	70	10	DCIE	
O=C(NC[C@@H](O)Cn1ccccc1=O)c1c(F)cccc1F	218410386	DHKAUHKQSPADIS-SNVBAGLBSA-N	308.284	0.917	70	10	DCIE	
COC(CNC(=O)NCCN1C(=O)c2ccccc2C1=O)OC	217282299	LNPXBULYWHIXQR-UHFFFAOYSA-N	321.333	0.201	70	10	DCIE	
COC[C@@H](C)CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2130983327	SSGZBQIGDITHAQ-ZETCQYMHSA-N	310.759	0.549	70	10	DCIE	
COC[C@H]1C[C@H]1CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2133426815	FCXRZTGOWXASSM-JGVFFNPUSA-N	306.771	0.955	70	10	DCIE	
Cn1cnc2cc(C(=O)N3CCO[C@H]([C@H]4CCCO4)C3)cnc21	160782806	HTVFRBPFBLHKOD-KGLIPLIRSA-N	316.361	0.988	70	10	DCIE	
COCCc1c(C(=O)OC)nnn1Cc1ncc(Cl)n1C	159856544	SNBWSSYHWUCUJD-UHFFFAOYSA-N	313.745	0.689	70	10	DCIE	
CN(C)CCn1ncc(N2C[C@H]3CNC[C@@H]3C2)c(Cl)c1=O	159724686	HJOIGMPOAPLTAY-GHMZBOCLSA-N	311.817	0.114	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2C[C@H]2CF)c1S(=O)(=O)Cl	1875813371	KCVAQHWFVNRVSS-BQBZGAKWSA-N	309.750	0.981	70	10	DCIE	
Cn1nnc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)c1C(F)F	2144733222	NRPJLBMLGOEQCU-RXMQYKEDSA-N	312.273	0.267	70	10	DCIE	
O=C(N1CCN(S(=O)(=O)F)CC1)C(F)(F)C(F)(F)F	2107407236	HARNIJLMZUZVTO-UHFFFAOYSA-N	314.207	0.543	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccc(O)cc1F	2287067724	IDJJRDVBNHFVGM-SSDOTTSWSA-N	306.290	0.550	70	10	DCIE	
CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC[C@@H](O)CC	218087950	YYXIOHOKPGRSQZ-RYUDHWBXSA-N	306.428	0.468	70	10	DCIE	
COC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)c(F)cc1F	161482001	BBOZTWZICZOCQG-UHFFFAOYSA-N	322.333	0.767	70	10	DCIE	
Cc1c(OS(=O)(=O)F)cc(C(=O)O)cc1N1CCNCC1	1887515443	VGFXWPYAPGMWEB-UHFFFAOYSA-N	318.326	0.696	70	10	DCIE	
CO[C@@H]1CN(C(=O)c2cc(S(=O)(=O)Cl)cn2C)C[C@H]1F	2146485920	ZHDGPFDSPWECNX-PSASIEDQSA-N	324.761	0.762	70	10	DCIE	
Cc1nc(N2CCO[C@H]3COCC[C@H]32)ncc1[B-](F)(F)F	2172764372	BSCGKPLNYBQBDJ-MNOVXSKESA-N	302.085	0.834	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)CC1[C@H]2CS(=O)(=O)C[C@H]12	2054286344	ZNORUPAMBXFECY-NXEZZACHSA-N	315.844	0.168	70	10	DCIE	
C[C@H]1OCC[C@@H]1CC(=O)NC1CCN(S(=O)(=O)F)CC1	2196351511	DHRFUMMGNCUAGJ-NXEZZACHSA-N	308.375	0.596	70	10	DCIE	
O=C(N[C@@H]1C[C@@H]2OCC[C@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2095467956	KVQPMBRBZTWCRY-XKSSXDPKSA-N	304.755	0.849	70	10	DCIE	
O=S(=O)(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCC[C@@H]1F	2271516251	MQYDWOJMKUPBPL-VGMNWLOBSA-N	318.367	0.085	70	10	DCIE	
C[C@H](Oc1ccccc1)C(=O)NC1CN(S(=O)(=O)F)C1	2284150833	MMQOHUVDTCKRCX-VIFPVBQESA-N	302.327	0.469	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C12CCCN1CCC2	2287073738	XZLGWRNVTMCBIG-JTQLQIEISA-N	305.375	0.020	70	10	DCIE	
CCCc1n[nH]c(C(=O)N[C@@H]2CCOC2)c1S(=O)(=O)Cl	131890789	RRVVWADOVDJILQ-SSDOTTSWSA-N	321.786	0.808	70	10	DCIE	
CNC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)F)c(OC)c1	1126734160	RUWCHKQENHQRSR-SSDOTTSWSA-N	318.326	0.218	70	10	DCIE	
C[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)c1nnnn1C	1134778084	DSTCPSNTRPCYFI-SSDOTTSWSA-N	313.314	0.359	70	10	DCIE	
Cc1cc(O[C@H](C)C(=O)NC(N)=O)ccc1S(=O)(=O)Cl	215984307	DZWGCSPRXLCITO-SSDOTTSWSA-N	320.754	0.885	70	10	DCIE	
CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(CN)n(C)c1	217518011	KGFIVJDTXOENMF-LLVKDONJSA-N	300.428	0.246	70	10	DCIE	
CCN(CC)CCCNS(=O)(=O)c1[nH]nc(C)c1CO	218668680	GLZLRNWVYKLYHJ-UHFFFAOYSA-N	304.416	0.221	70	10	DCIE	
CO[C@@]1(CO)CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1521709069	UMZRNEMOJICGQR-LBPRGKRZSA-N	320.342	0.286	70	10	DCIE	
NC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)O1	1521278525	KEITYTDRWFNTMD-VHSXEESVSA-N	316.310	0.316	70	10	DCIE	
COc1c(C(=O)Nc2ncc(S(=O)(=O)F)s2)cnn1C	1534604239	TZTIZXABAGWUSI-UHFFFAOYSA-N	320.327	0.796	70	10	DCIE	
O=C(N[C@H](CNCCF)C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1670522670	MPFOPGBZMDQMOU-LLVKDONJSA-N	321.349	0.740	70	10	DCIE	
NC(=S)[C@@H](C(=O)NCCNC(=O)C1CC1)c1ccccc1	160785506	WLBWWJXJYJISPG-LBPRGKRZSA-N	305.403	0.699	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1c1ccnc(C(N)=S)c1	159814031	XJOIXMXTCJTDNM-LBPRGKRZSA-N	308.407	0.446	70	10	DCIE	
CNC(=O)c1cccc(OCC(=O)NCCn2cccn2)c1	159726703	AFGFOXAHKVGGBS-UHFFFAOYSA-N	302.334	0.438	70	10	DCIE	
CC1(C)CO[C@@H](CC(=O)NCC2CN(S(=O)(=O)F)C2)C1	1974054815	JBEHDWSNCVBCKD-JTQLQIEISA-N	308.375	0.454	70	10	DCIE	
CS(=O)(=O)c1ccc([S@@](=O)CC(=O)[C@H]2CCOC2)cc1	159539549	KOVRBMZAWMDNMJ-APBUJDDRSA-N	316.400	0.803	70	10	DCIE	
CC(C)(C)CCS(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2107402127	FYFSJZYWJXXBRD-UHFFFAOYSA-N	316.420	0.584	70	10	DCIE	
O=S1(=O)CC[C@H](COc2ccc(F)cc2[B-](F)(F)F)N1	2089978915	DMEJFOGAVPKMLO-MRVPVSSYSA-N	312.073	0.951	70	10	DCIE	
C[C@@]1(COC(=O)c2cc(S(=O)(=O)Cl)c[nH]2)COCCO1	2237880655	CZAMZYNMQINNQQ-NSHDSACASA-N	323.754	0.905	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cnc(Cl)s1	2258987150	JZMQXCYLYNQAJL-YFKPBYRVSA-N	313.763	0.815	70	10	DCIE	
O=C1O[C@@]2(CCCN(C(=O)Cn3cnnn3)C2)c2ccccc21	217588832	CUTLKLZMHATTIG-OAHLLOKOSA-N	313.317	0.361	70	10	DCIE	
CC(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1	217285547	QLHFARJXFYSGHC-GFCCVEGCSA-N	310.398	0.260	70	10	DCIE	
CO[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCOC1	1123821029	XTUVNEBJVIJWSZ-GZMMTYOYSA-N	320.342	0.454	70	10	DCIE	
O=C(NNc1cccc(F)n1)c1cc(S(=O)(=O)F)c[nH]1	1449109907	YWCUVORSHSXXOT-UHFFFAOYSA-N	302.262	0.964	70	10	DCIE	
CCS(=O)(=O)CCn1nc(C)cc1S(=O)(=O)Cl	203512808	SIRNHSGMTCZPCI-UHFFFAOYSA-N	300.789	0.554	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2N3)c1	160322221	UQKUQAMGNDDNOU-MIMYLULJSA-N	310.375	0.875	70	10	DCIE	
CCN1CCCC[C@@H]1C(=O)NC1CCC(C(=O)NC(N)=O)CC1	159549737	CZNNGXJZVWPVIG-WXRRBKDZSA-N	324.425	0.731	70	10	DCIE	
COc1cccc(C(=O)N2CCC(S(=O)(=O)F)CC2)n1	1968218626	XPPDNHGVWVAIOI-UHFFFAOYSA-N	302.327	0.994	70	10	DCIE	
C[C@H](O)CNCCNc1c(Cl)cnn(CC2CC2)c1=O	160032762	WLGCDDAHAGATPF-VIFPVBQESA-N	300.790	0.689	70	10	DCIE	
CCOCCS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2028132179	YIOKDRHMAKQPQU-VIFPVBQESA-N	303.377	0.116	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)n1	2172764949	KMYZACWQNPZNTP-WCBMZHEXSA-N	320.125	0.463	70	10	DCIE	
Cc1ncnc(N2CCC[C@H]2CS(C)(=O)=O)c1[B-](F)(F)F	2172767239	RIDMDNWNZXPSOR-VIFPVBQESA-N	322.141	0.853	70	10	DCIE	
CO[C@@H]1CC[C@H]1CS(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2230962879	YLKAEWRCSSISSU-IVZWLZJFSA-N	315.388	0.115	70	10	DCIE	
CC(C)CNC(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1	217269494	HNABSWQEFGMAAQ-LBPRGKRZSA-N	305.444	0.403	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCN(c3nncs3)CC2)nc1	2362073146	LMSILFZZPWWTHZ-UHFFFAOYSA-N	315.113	0.709	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)c1ncccc1F	236251637	WOGHWUCDVZTGEF-UHFFFAOYSA-N	302.736	0.068	70	10	DCIE	
O=C(COCc1ccccc1)N1CCN(S(=O)(=O)F)CC1	1956052594	COYOBQZAGTWVSM-UHFFFAOYSA-N	316.354	0.562	70	10	DCIE	
Cc1ncnc(N2CCCS(=O)(=O)CC2)c1[B-](F)(F)F	2116131141	SRZMVKYPMJLBAD-UHFFFAOYSA-N	308.114	0.464	70	10	DCIE	
Cc1ccnc(N2CC(CS(C)(=O)=O)C2)c1[B-](F)(F)F	2116137773	CPPOPCCUTDOHIZ-UHFFFAOYSA-N	307.126	0.925	70	10	DCIE	
O=C(NC/C=C/CNCCCF)c1cc(S(=O)(=O)F)c[nH]1	1321249866	CQBKFLPWBXFFCH-OWOJBTEDSA-N	321.349	0.908	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2sccc2F)[nH]1	1923166973	HRYBAMASEHMYIU-UHFFFAOYSA-N	307.303	0.953	70	10	DCIE	
N#Cc1csc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1	1626933184	QNQATWZPCCGZQP-UHFFFAOYSA-N	314.323	0.931	70	10	DCIE	
C=C(C)CNCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1691479356	PHOCCVRSCIQIEQ-UHFFFAOYSA-N	303.359	0.911	70	10	DCIE	
CCCN(c1cnn(CCO)c(=O)c1Cl)[C@H]1CCCNC1	159435402	YOHLLXIUKFRCJZ-NSHDSACASA-N	314.817	0.857	70	10	DCIE	
COCCc1c(C(=O)OC)nnn1C[C@@H](O)COC(C)C	159849115	TUGFDEFXACXTLU-SNVBAGLBSA-N	301.343	0.040	70	10	DCIE	
CNC(=O)c1nn(CCS(=O)(=O)F)c(=O)c2ccccc12	883952908	AATFZRCZXNERLC-UHFFFAOYSA-N	313.310	0.055	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)NC[C@@H]2CCOC2)cc1	163318697	XTNLNASERCVKJG-VIFPVBQESA-N	323.367	0.660	70	10	DCIE	
COC[C@@H]1CN(c2nc(C)nc(C)c2[B-](F)(F)F)CCO1	2172769862	CUFSEZZPYDNLRL-JTQLQIEISA-N	304.101	0.999	70	10	DCIE	
CN1CCC[C@@]1(C)C(=O)NC1CCN(S(=O)(=O)F)CC1	2169022883	GBUVGCQSBONPHW-LBPRGKRZSA-N	307.391	0.266	70	10	DCIE	
O=C(NCCC(=O)N1CC(S(=O)(=O)F)C1)C1CCCC1	2199699393	ZHHZISIZPSVNAN-UHFFFAOYSA-N	306.359	0.193	70	10	DCIE	
CC(C)OCCS(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2088470600	ZEXDDWKBEHJHKB-UHFFFAOYSA-N	317.404	0.505	70	10	DCIE	
CNCCC1CCN(c2cnn(CCO)c(=O)c2Cl)CC1	159535647	ZGHILZRMNQDVKK-UHFFFAOYSA-N	314.817	0.715	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CN(C)CCO1	215803926	PMBVQGHNIMCAJH-SECBINFHSA-N	307.803	0.704	70	10	DCIE	
C[C@H]1C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](N)C3)cc21	217837847	NAAWABIMFGIBJK-NXEZZACHSA-N	309.391	0.854	70	10	DCIE	
CN(CCCNCC#N)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1670249640	NIPLOLHYCXJBNL-UHFFFAOYSA-N	302.331	0.248	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)c2cncs2)C1	1944160892	BQEGQDZKTJGSAI-ZCFIWIBFSA-N	300.358	0.205	70	10	DCIE	
COc1cncc(C(=O)N2CCC(S(=O)(=O)F)CC2)c1	1968218145	RUDPQNDZIWLJOJ-UHFFFAOYSA-N	302.327	0.994	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@]12CCC[C@@H](C1)OC2	1974054734	HVGFHSANZONUFN-JQWIXIFHSA-N	306.359	0.208	70	10	DCIE	
CC[C@H]1OCC[C@@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394713	NYJPVXQFUQTHCT-WDEREUQCSA-N	308.375	0.596	70	10	DCIE	
CCn1c(C23CCN(CC2)CC3)nnc1S(=O)(=O)Cl	2088898640	WPYCJKOXBSYWRD-UHFFFAOYSA-N	304.803	0.963	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)Cc2ccncc2)C1	2114474238	QKJPLLDFRIUWBB-JTQLQIEISA-N	308.356	0.285	70	10	DCIE	
CCN(c1ncncc1[B-](F)(F)F)[C@H](C)CS(C)(=O)=O	2116145629	NPUQVAXLOUEUTN-MRVPVSSYSA-N	310.130	0.790	70	10	DCIE	
Cc1[nH]nc(C(=O)N2CC[C@H]3C[C@H]2CO3)c1S(=O)(=O)Cl	2153095162	MFOCDZBXURRDBF-YUMQZZPRSA-N	319.770	0.649	70	10	DCIE	
CN1CCN(C(=O)c2cc(S(=O)(=O)Cl)cn2C)[C@H]2C[C@@H]21	2168374675	YDAOHTZFMWTTHV-UWVGGRQHSA-N	317.798	0.481	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)C[C@@H]2CCCS2(=O)=O)n1	2172767323	SGOCDPKKOWRBDI-VIFPVBQESA-N	322.141	0.853	70	10	DCIE	
COCC1(NC(=O)c2ccc(S(=O)(=O)Cl)cc2)COC1	2189272295	IIGPAMBGGOSMNY-UHFFFAOYSA-N	319.766	0.759	70	10	DCIE	
O=S(=O)(NC1CN(S(=O)(=O)F)C1)c1cccc(F)c1	2268805416	KHQQCEBKPNSIFT-UHFFFAOYSA-N	312.319	0.003	70	10	DCIE	
O=C(Cc1ccccc1F)N[C@H]1CCN(S(=O)(=O)F)C1	2287074731	IXZXRSKDWBDWIO-JTQLQIEISA-N	304.318	0.773	70	10	DCIE	
Cn1ccnc1CCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	123909128	FAOXCKZGLQIKCY-UHFFFAOYSA-N	319.730	0.695	70	10	DCIE	
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(N)cc(C)c1F	159486452	REVVHELLWTYNKW-JTQLQIEISA-N	315.370	0.615	70	10	DCIE	
NNc1nnc(CSc2nnnn2-c2ccc(O)cc2)s1	159713465	CYJJNNVCGUNYRO-UHFFFAOYSA-N	322.379	0.797	70	10	DCIE	
CCS(=O)(=O)CCCn1nnc(C(=O)OC)c1CCOC	159857740	ZGAAPGDXKBGCPG-UHFFFAOYSA-N	319.383	0.078	70	10	DCIE	
CSCC[C@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O	160299706	AQQFGWTUZCRQTP-VIFPVBQESA-N	318.420	0.815	70	10	DCIE	
C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H](C)CO	160361020	QKPUBQOXVITKQF-QWRGUYRKSA-N	314.407	0.684	70	10	DCIE	
C[C@](O)(CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1	161063112	SBWWVAZXFSLOBQ-BBRMVZONSA-N	315.377	0.800	70	10	DCIE	
CO[C@@H]1CC[C@@H](NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	234849404	SCBPEVAFIOXHGG-HTQZYQBOSA-N	321.786	0.943	70	10	DCIE	
O=C1CCCN1CCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	692419059	WHHDDRAZTVDWTQ-UHFFFAOYSA-N	322.730	0.341	70	10	DCIE	
C[C@H](C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F)[C@H]1CCCO1	1923164370	UROITCVVFCDANI-JGVFFNPUSA-N	305.331	0.254	70	10	DCIE	
C#CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1963997049	WVBRYKVIJPRCEY-UHFFFAOYSA-N	321.351	0.273	70	10	DCIE	
CC(C)(C)NS(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2028131263	STDWBKMHSJYLOW-UHFFFAOYSA-N	302.393	0.383	70	10	DCIE	
O=C(N[C@H]1[C@H]2COCC[C@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2093705660	ISHLLKJTLXPMNI-KHQFGBGNSA-N	304.755	0.707	70	10	DCIE	
O=C([C@@H]1CCn2ccnc2C1)N1CC[C@@H](S(=O)(=O)F)C1	2165275990	QRAJRUOEJUULFE-NXEZZACHSA-N	301.343	0.346	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C1C[C@@H]2CC[C@H](C1)O2	2287062106	BUKUPFARRQQQFO-OCPDBYLZSA-N	306.359	0.349	70	10	DCIE	
C[C@@H]1OCCO[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)nc1	2166523991	HGBOCOGYNKQSIH-OIBJUYFYSA-N	304.299	0.482	70	10	DCIE	
C[C@H](CO)CS(=O)(=O)Cc1ccc(S(=O)(=O)F)cc1	857221480	BSGICZMXJVGNMH-SECBINFHSA-N	310.368	0.888	70	10	DCIE	
O=C(NC1[C@@H]2COC[C@@H]12)c1ccc(S(=O)(=O)Cl)cc1	2118027275	ZGEDODAIYVXSCO-NXEZZACHSA-N	301.751	0.989	70	10	DCIE	
O=C(Cn1cncn1)Nc1ccc(F)c(CS(=O)(=O)F)c1	1287978415	KVFUZENEKXMPRA-UHFFFAOYSA-N	316.289	0.855	70	10	DCIE	
COc1ccc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)nc1	1913963371	VJQFDJFWERPIGT-JTQLQIEISA-N	302.327	0.994	70	10	DCIE	
CCN(CCn1nc2ccccn2c1=O)Cc1cnn(C)c1	161121351	YLOYBHGIANMTAL-UHFFFAOYSA-N	300.366	0.752	70	10	DCIE	
Cn1cnc(N)c1S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	160348589	NZRGCPGCWKJHKB-ZWNOBZJWSA-N	314.411	0.318	70	10	DCIE	
COCCOCCCCn1c(=O)[nH]c(O)c(C(C)C)c1=O	160596204	HRMXQRPTERULHV-UHFFFAOYSA-N	300.355	0.809	70	10	DCIE	
O=C(NC1CC1)[C@@H]1COCCN1C(=O)c1nnc(Cl)s1	159516078	YAEFYBFEYDDIPW-ZETCQYMHSA-N	316.770	0.311	70	10	DCIE	
CCC[C@@H](C(=O)N1CCOC[C@H]1C(=O)NCC)C(N)=S	159774999	YRIDQBFBACQAMY-ZJUUUORDSA-N	301.412	0.052	70	10	DCIE	
COC(C)(C)CNS(=O)(=O)c1ccc(C(N)=O)cc1N	159889284	BAGZQRNZKSTJSM-UHFFFAOYSA-N	301.368	0.071	70	10	DCIE	
C[C@@]1(CNc2cnn(CCO)c(=O)c2Cl)CCCNC1	160020662	MKQYSEQNKQJZEU-CYBMUJFWSA-N	300.790	0.691	70	10	DCIE	
CCc1c(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)cnn1C	2152894551	BQFJLQJSAAGSKY-VIFPVBQESA-N	303.359	0.886	70	10	DCIE	
O=S(=O)(Cl)CCCCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1	2028433637	VLFSUZFENMYDDM-VHSXEESVSA-N	315.844	0.454	70	10	DCIE	
C=CCN(C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2045191548	LWYZYHXOFGOZGY-SECBINFHSA-N	300.377	0.113	70	10	DCIE	
Cc1cc(C(=O)N2CC(CCS(=O)(=O)F)C2)nnc1C	2199684418	OKQALBFNGVOTMU-UHFFFAOYSA-N	301.343	0.855	70	10	DCIE	
Cn1nnc(Cn2cc(S(=O)(=O)Cl)cn2)c1C(F)F	2089372582	OTHULGTWDJQWNH-UHFFFAOYSA-N	311.701	0.925	70	10	DCIE	
CN1CCN(S(=O)(=O)F)[C@H](CNC(=O)OC(C)(C)C)C1	1954657111	VLBDJEWFQUGPLG-SECBINFHSA-N	311.379	0.341	70	10	DCIE	
O=C(NC[C@H]1OCC[C@@H]1F)c1cc(S(=O)(=O)Cl)c[nH]1	2122554115	XWNSAYOSHXKJQN-IONNQARKSA-N	310.734	0.799	70	10	DCIE	
CC1CC(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)(C(N)=S)C1	160293998	RXNSHWBUGPBERZ-WWALYXLFSA-N	309.435	0.816	70	10	DCIE	
O=C(NCCn1ccnc1)N1CCCN(c2cccnn2)CC1	160770324	DOZXBNGYBZZADY-UHFFFAOYSA-N	315.381	0.595	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCN(CCOC)CC1	160928548	DKWHTFDCFVSSBJ-UHFFFAOYSA-N	324.381	0.275	70	10	DCIE	
COCCn1c(C2(COC)CCC2)nnc1S(=O)(=O)Cl	2157481542	WMXBWXCJPNCWIR-UHFFFAOYSA-N	323.802	0.920	70	10	DCIE	
CN(C)[C@@H]1CC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	2157692537	OZAUZMSHCNNXIW-NXEZZACHSA-N	319.814	0.775	70	10	DCIE	
COCCn1c(-c2cncnc2C)nnc1S(=O)(=O)Cl	2178800996	VMQSLMHLDZFJKT-UHFFFAOYSA-N	317.758	0.617	70	10	DCIE	
COCCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1C[C@@H]1F	2188361894	FLZJATRIJHMGFI-IUCAKERBSA-N	324.761	0.902	70	10	DCIE	
Cc1nccn1[C@@H](C)C(=O)NCC1CN(S(=O)(=O)F)C1	2186050921	NSXZLOLJOPMTCR-QMMMGPOBSA-N	304.347	0.015	70	10	DCIE	
CC(C)(F)[C@](C)(F)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271503244	POBUECRKPRIUOY-GMSGAONNSA-N	302.318	0.868	70	10	DCIE	
CCOc1cccc(S(=O)(=O)CCS(=O)(=O)Cl)n1	112084157	BAFCXCGAOMCRFZ-UHFFFAOYSA-N	313.784	0.823	70	10	DCIE	
Cc1cc(S(=O)(=O)CCS(=O)(=O)Cl)n2ncnc2c1	112215103	WNHIBGJTIDMBDV-UHFFFAOYSA-N	323.783	0.380	70	10	DCIE	
Cc1[nH]nc(C(=O)OC[C@H]2CCCO2)c1S(=O)(=O)Cl	115022111	VAKLCHWMTNEFHI-SSDOTTSWSA-N	308.743	0.981	70	10	DCIE	
CCN(CCOC)C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	115019725	BWXCGLBKYSKNEM-UHFFFAOYSA-N	309.775	0.754	70	10	DCIE	
O=C(NCc1ccc(F)cc1)NC[C@H](O)Cn1ccccc1=O	218457620	GHPIPJIJUHKPHY-AWEZNQCLSA-N	319.336	0.848	70	10	DCIE	
O=C1C[C@@]2(CCCS(=O)(=O)C2)[C@@H](CS(=O)(=O)Cl)O1	675052242	BWUUPXMXOWMFSX-VXNVDRBHSA-N	316.784	0.066	70	10	DCIE	
CC(C)(CNC(N)=O)NC(=O)c1cccc(S(=O)(=O)F)c1	1618374434	HWXLVWNYHYORKN-UHFFFAOYSA-N	317.342	0.522	70	10	DCIE	
Cc1cnn(Cc2cc(C(=O)N(C)CC(=O)NC3CC3)no2)c1	160734679	GUIXWHLHBZTDHU-UHFFFAOYSA-N	317.349	0.578	70	10	DCIE	
COC(=O)Cn1ncc(N2C[C@H](CN)C[C@H]2C)c(Cl)c1=O	159982851	ZNHFGTWSJZYHKG-BDAKNGLRSA-N	314.773	0.243	70	10	DCIE	
O=C(c1c(F)cccc1F)N1CCN(S(=O)(=O)F)CC1	1974000473	ACJFORKDNBYMNR-UHFFFAOYSA-N	308.281	0.937	70	10	DCIE	
CO[C@@H](C(=O)NCC1CN(S(=O)(=O)F)C1)C1CCCC1	1974054458	DDZRCONSQPLEOH-LLVKDONJSA-N	308.375	0.454	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1c1nc(Cl)ncc1F	160283972	NBTLGLDGLFXBLD-VIFPVBQESA-N	302.737	0.999	70	10	DCIE	
COCCC1(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CC1	2157974664	JAXCFFGAJDKZEQ-UHFFFAOYSA-N	305.331	0.255	70	10	DCIE	
CO[C@H]1CC[C@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)C1	2174880832	MYODATBHBYWEDK-YUMQZZPRSA-N	305.331	0.254	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@@H]2C[C@@H]2OC)c1S(=O)(=O)Cl	2188223417	LQBGUNFKXJMKDZ-XPUUQOCRSA-N	321.786	0.664	70	10	DCIE	
CO[C@H](C)CCS(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2046886138	NQMNOAJPZKXRCA-BDAKNGLRSA-N	303.377	0.115	70	10	DCIE	
CNC(=O)[C@@H](C)Oc1ccc(C(=O)O)cc1S(=O)(=O)F	2191424449	STFFZBZRBJPESA-ZCFIWIBFSA-N	305.283	0.556	70	10	DCIE	
O=C([C@H]1CCn2nccc2C1)N1CC(CS(=O)(=O)F)C1	2199684446	OUOWHUDINQXBLA-JTQLQIEISA-N	301.343	0.203	70	10	DCIE	
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)F)CC2)o1	2107409951	ZBEXGYZJFKNOAI-UHFFFAOYSA-N	312.344	0.109	70	10	DCIE	
COC1(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CCCCC1	2287077830	FTUAWGNAXUFDSO-SNVBAGLBSA-N	308.375	0.741	70	10	DCIE	
C[C@@H]1COCCN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	166143660	IZSPEAZDOPFNIC-SECBINFHSA-N	323.367	0.754	70	10	DCIE	
COC(=O)CNC(=O)N[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1	217285097	JFZYTWHSHPHQAP-DGCLKSJQSA-N	319.361	0.821	70	10	DCIE	
CN(C)c1cccc(C(=O)NC[C@@H](O)Cn2ccccc2=O)c1	218429702	AJDFFHCRRXNYAI-OAHLLOKOSA-N	315.373	0.705	70	10	DCIE	
COC[C@H](CCNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1)OC	694400749	SFVDSKIRZAKRKR-QMMMGPOBSA-N	324.786	0.724	70	10	DCIE	
O=C1C[C@]2(CCCN3CCSC[C@@H]32)N1S(=O)(=O)Cl	717781014	IBIOMIRRUPMSPD-SCZZXKLOSA-N	310.828	0.652	70	10	DCIE	
O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1cc(S(=O)(=O)F)c[nH]1	1123818694	AMJVZLZPMRGGPE-NXEZZACHSA-N	302.327	0.706	70	10	DCIE	
O=C(N[C@H]1C[C@H](O)C12CCC2)c1cc(S(=O)(=O)F)c[nH]1	1123818695	AMJVZLZPMRGGPE-UWVGGRQHSA-N	302.327	0.706	70	10	DCIE	
C[C@@H](CNCCCF)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1483267320	IGWGBRPHHFEVGZ-QMMMGPOBSA-N	309.338	0.740	70	10	DCIE	
O=C(O)Cc1cc(OS(=O)(=O)F)cc(N2CCNCC2)c1	1887505441	GGAQMGRLLWZMBR-UHFFFAOYSA-N	318.326	0.316	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CCCSCC2)[nH]1	1923163948	NVOUISBZJVYKKP-MRVPVSSYSA-N	321.399	0.972	70	10	DCIE	
O=C(NCCc1ccc(S(=O)(=O)Cl)s1)C1COC1	2056455835	YHUVPGCCHJCFDA-UHFFFAOYSA-N	309.796	0.981	70	10	DCIE	
Cn1nc(C(=O)N2CC(CCS(=O)(=O)F)C2)cc1Cl	2134974400	FDQNQPIWQSSGKT-UHFFFAOYSA-N	309.750	0.835	70	10	DCIE	
COc1nn([C@H]2CCN(C)C2=O)c(OC)c1S(=O)(=O)Cl	2149827734	SATVUKOQTXDBJL-LURJTMIESA-N	323.758	0.231	70	10	DCIE	
C[C@H]1C[C@@H](CC(=O)Nc2nn(C)cc2S(=O)(=O)F)CO1	2159413929	SPTFFSVDNGZLCI-YUMQZZPRSA-N	305.331	0.832	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CCCC(=O)N1	2182342785	CYWNSEVZKHUTAF-QMMMGPOBSA-N	321.786	0.626	70	10	DCIE	
O=[N+]([O-])c1ccc(OCc2nn[nH]n2)c(S(=O)(=O)F)c1	2191433282	WCEXLYMIBSGTMA-UHFFFAOYSA-N	303.231	0.345	70	10	DCIE	
O=S(=O)(Cl)CCCN1CCOCCOCCOCC1	2265566573	BIEWHPLKZDJATM-UHFFFAOYSA-N	315.819	0.311	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1COc2ccccc21	2284151720	SOHCWFJKEGSFAD-SNVBAGLBSA-N	300.311	0.177	70	10	DCIE	
C[C@H]1C[C@H](OC(=O)NS(=O)(=O)Cl)C[C@@H](C)S1(=O)=O	2327532346	VLGCEBHJGCXLES-KVSKUHBBSA-N	319.788	0.550	70	10	DCIE	
NC(=O)CCS(=O)(=O)Cc1ccc(S(=O)(=O)F)cc1	857250789	MLRSSHWTQDNJMG-UHFFFAOYSA-N	309.340	0.135	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2COC[C@@H]2C)c1S(=O)(=O)Cl	699820337	HOPDFEZAGQCCGV-POYBYMJQSA-N	321.786	0.664	70	10	DCIE	
CC(C)NC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1569419015	PNVNZERCRPXXBH-UHFFFAOYSA-N	303.359	0.933	70	10	DCIE	
Cc1nc(S(=O)(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cn1C	160725659	JHVATLZNEZFUFK-MNOVXSKESA-N	312.395	0.018	70	10	DCIE	
CC(C)OCCS(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2134972780	IKAWECRNMCMFEQ-UHFFFAOYSA-N	317.404	0.362	70	10	DCIE	
COCC1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	1917277176	SPVXNZVKWNIJHK-UHFFFAOYSA-N	323.367	0.612	70	10	DCIE	
COCCn1c(-c2c(C)cnn2C)nnc1S(=O)(=O)Cl	2150525557	PYQNZQKYCMLYBZ-UHFFFAOYSA-N	319.774	0.561	70	10	DCIE	
O=C(Cc1cccc(F)c1)NCC1CN(S(=O)(=O)F)C1	1974057862	BDSNIPHBQBKEMD-UHFFFAOYSA-N	304.318	0.631	70	10	DCIE	
COc1ccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)cc1	2144732457	GBSGEPGCKYZGFN-NSHDSACASA-N	323.367	0.758	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)c1nnc(Cl)s1	159512506	XRHFOBOXHANQGK-ZETCQYMHSA-N	318.786	0.559	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)CC[C@H]1CCCCN1	159887052	TYKMABMZXDSEFC-LLVKDONJSA-N	305.444	0.353	70	10	DCIE	
CNc1cc(C)nc(CN2CCSC[C@@H]2S(C)(=O)=O)n1	159846582	NCHYWYLKJOQGKI-LBPRGKRZSA-N	316.452	0.746	70	10	DCIE	
CCc1[nH]nc(C(=O)N2C[C@H]3C[C@H]3C2)c1S(=O)(=O)Cl	380730163	UHQUWYFKGNQIHW-KNVOCYPGSA-N	303.771	0.992	70	10	DCIE	
CN1CCC[C@H]1Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	386832077	WAQHQGNGLBNGBW-ZETCQYMHSA-N	308.747	0.813	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCN([C@@H]2CCOC2)CC1	2172781077	YWYYYVWEPNRTKI-SNVBAGLBSA-N	301.101	0.442	70	10	DCIE	
Cc1nc(N(CCS(C)(=O)=O)C2CC2)ncc1[B-](F)(F)F	2172771561	BIMVUJBFPMOZNP-UHFFFAOYSA-N	322.141	0.853	70	10	DCIE	
O=C([C@H]1CCn2nccc2C1)N1CC[C@H](S(=O)(=O)F)C1	2165273380	LCFSZAZFEHTYKO-ONGXEEELSA-N	301.343	0.346	70	10	DCIE	
C=CCN(C)S(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2045190653	GLNAPWVHKKQPCN-UHFFFAOYSA-N	300.377	0.113	70	10	DCIE	
Cc1nc(N2CCN3CCOC[C@H]3C2)ccc1[B-](F)(F)F	2185879433	CCNJAGBUTPINEZ-LLVKDONJSA-N	300.113	0.965	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)C2CCOCC2)CC1	2088469042	IZHPNLBJXFRMAV-UHFFFAOYSA-N	315.388	0.259	70	10	DCIE	
C[C@@H](CN(C)C)Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2224594392	YOMWFIODZXEIRI-ZETCQYMHSA-N	309.775	0.074	70	10	DCIE	
COCc1ncc(-c2nnc(S(=O)(=O)Cl)n2C)n1C	2338633223	QDERDHKQRHQZES-UHFFFAOYSA-N	305.747	0.290	70	10	DCIE	
CO[C@H]1C[C@@H](CNC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	709095801	YHZLCXZNLAZVIL-OCAPTIKFSA-N	321.786	0.800	70	10	DCIE	
C=CCN[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C	939158452	KZHNASJRWUEIFV-SKDRFNHKSA-N	315.370	0.909	70	10	DCIE	
C=CCCN[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1266971077	JPZKJSNIEQNGNV-SECBINFHSA-N	303.359	0.957	70	10	DCIE	
COc1ccc(NS(=O)(=O)N2CCC(CO)CC2)cn1	218061997	UPAXXTKBFNIYJA-UHFFFAOYSA-N	301.368	0.451	70	10	DCIE	
CCCN(CC)CCNS(=O)(=O)c1cn(CC)nc1N	218289055	DCQAETUDYKEKSB-UHFFFAOYSA-N	303.432	0.495	70	10	DCIE	
COc1cc(C(=O)N[C@@H](C)CC(N)=O)ccc1S(=O)(=O)F	1525883869	JALYEQDSVKTEDO-ZETCQYMHSA-N	318.326	0.347	70	10	DCIE	
C#CCNCCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1699535902	YNMQBVMKXWXQNQ-UHFFFAOYSA-N	301.343	0.358	70	10	DCIE	
CCc1n[nH]c(=O)c(CNC(=O)N(C)[C@@H]2CCOC2)c1CC	160285285	VNSGMOYREUVHCU-SNVBAGLBSA-N	308.382	0.825	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cc(N)c(C)cc2F)CCOC1	159903840	NAQKUNCDCSTJSY-CYBMUJFWSA-N	318.370	0.800	70	10	DCIE	
COCc1nc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)cs1	1968236581	XTLIDJLKSGEFJV-SSDOTTSWSA-N	308.356	0.803	70	10	DCIE	
COc1ccnc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)c1	1968236365	VLQWGKHUISEZPC-JTQLQIEISA-N	302.327	0.994	70	10	DCIE	
COc1cc(C(=O)N2CCC(S(=O)(=O)F)CC2)nn1C	2144733712	SLSMYMKNLAQCTJ-UHFFFAOYSA-N	305.331	0.333	70	10	DCIE	
CO[C@@H](C(=O)N1CCC(S(=O)(=O)F)CC1)[C@H]1CCCO1	1972663981	FYRNROINHKOVDY-GHMZBOCLSA-N	309.359	0.471	70	10	DCIE	
O=C(CC1CCSCC1)N1CCN(S(=O)(=O)F)CC1	1974014174	FVXNFJVTICFJST-UHFFFAOYSA-N	310.416	0.878	70	10	DCIE	
CCn1ccc(C(=O)NC2CCN(S(=O)(=O)F)CC2)n1	1974394175	FBVMYAWTYOHCTH-UHFFFAOYSA-N	304.347	0.312	70	10	DCIE	
CN([C@@H]1CCOC1)S(=O)(=O)Cc1cccc(C(N)=S)c1	159444617	AJRKFNSNXMQTJB-GFCCVEGCSA-N	314.432	0.871	70	10	DCIE	
CC(C)[C@@H](CN)Nc1cnn(CCN(C)C)c(=O)c1Cl	159602397	MOVFKCFEFCQJDP-SNVBAGLBSA-N	301.822	0.854	70	10	DCIE	
CO[C@]1(CNc2ccc(N)cc2S(N)(=O)=O)CCOC1	159983384	FVVHKFYPCKBBHC-LBPRGKRZSA-N	301.368	0.134	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCC[C@@H]2CS(C)(=O)=O)n1	2172767597	WITDBVZUWZHAFF-SECBINFHSA-N	322.141	0.853	70	10	DCIE	
CC(C)(F)CS(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2079008983	OFKMANCSWWRGJG-UHFFFAOYSA-N	305.368	0.686	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CCC[C@H]1C(F)(F)F	2284150481	KACWXISGJJIFMN-HTQZYQBOSA-N	318.292	0.980	70	10	DCIE	
Cc1ccc(OCC(=O)NC[C@H](O)Cn2ccccc2=O)cc1	218416495	KOWOTQXLPMSBBE-AWEZNQCLSA-N	316.357	0.713	70	10	DCIE	
O=S(=O)(NC[C@@H]1CCCN1c1nccs1)c1cnc[nH]1	217799858	BFEVAZUFKJXPQV-VIFPVBQESA-N	313.408	0.814	70	10	DCIE	
CCCCN1CCN(c2nc(N)nc3[nH]cnc23)C[C@@H](O)C1	216906611	BRRIQTRHWTUGSL-JTQLQIEISA-N	305.386	0.218	70	10	DCIE	
CC(C)COC(=O)N1CCO[C@@H](CN(C)S(=O)(=O)F)C1	2162877366	HMUSCRNQBTVKBB-JTQLQIEISA-N	312.363	0.626	70	10	DCIE	
Cc1ccc(C(=O)NC2CCN(S(=O)(=O)F)CC2)cn1	1974403069	UHQDERNQXWJICK-UHFFFAOYSA-N	301.343	0.799	70	10	DCIE	
CS(=O)(=O)CC1CC(OC(=O)NS(=O)(=O)Cl)C1	2026339097	VMJBJIIBOIDCOU-UHFFFAOYSA-N	305.761	0.019	70	10	DCIE	
COCCn1c(C[C@@H]2CC[C@@H](C)O2)nnc1S(=O)(=O)Cl	2161088140	CWKGECCYNFLXFI-BDAKNGLRSA-N	323.802	0.962	70	10	DCIE	
COCCn1c([C@@H]2[C@H]3CCCO[C@@H]23)nnc1S(=O)(=O)Cl	2176467127	VCYJZIPHOUTNBV-IWSPIJDZSA-N	321.786	0.744	70	10	DCIE	
CC(C)[C@@H](O)C(C)(C)C(=O)NCC1CN(S(=O)(=O)F)C1	2365777519	ZCBOOFQNVGUZIB-SNVBAGLBSA-N	310.391	0.292	70	10	DCIE	
NC(=O)[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C[B-](F)(F)F)C1	1955896387	RDMUVZASPRXHRH-PHDIDXHHSA-N	320.022	0.227	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2C[C@H]1C[S@@]2=O	1347083732	RHFZQPDPBDGLOC-QEYXHICPSA-N	306.340	0.018	70	10	DCIE	
CNC(=O)[C@@H](C)Oc1ccc(C(=O)O)cc1S(=O)(=O)Cl	215662148	JSUYSKIRLYLANT-ZCFIWIBFSA-N	321.738	0.826	70	10	DCIE	
Cc1nc(Cl)ncc1C(=O)N1CC(CS(=O)(=O)F)C1	2134976661	KKTUOEIKLVDPKL-UHFFFAOYSA-N	307.734	0.810	70	10	DCIE	
NC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1	1361046242	AFCVSNTXEZPAJF-UHFFFAOYSA-N	312.282	0.419	70	10	DCIE	
C#CCNC[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1568193660	IKPFHDMYALUYER-SECBINFHSA-N	301.343	0.262	70	10	DCIE	
O=C(NCc1ccc(O)c(F)c1)N[C@@H]1CCc2ncnn2C1	161234299	HTFGSGKAPQLZIQ-SNVBAGLBSA-N	305.313	0.937	70	10	DCIE	
Cc1cccc2[nH]c(CNC(=O)C(C)(C)NS(C)(=O)=O)nc12	160318591	FCKJHGBSCPTVEG-UHFFFAOYSA-N	324.406	0.815	70	10	DCIE	
CC(=O)N[C@H](C)C(=O)Nc1cccnc1N1CCC(CO)CC1	159762618	ZXNHEAUHWMSZLD-LLVKDONJSA-N	320.393	0.753	70	10	DCIE	
COC[C@H](C)S(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	159382330	DVMVVIKUESILAQ-WDEREUQCSA-N	316.427	0.671	70	10	DCIE	
COc1nn(Cc2n[nH]cc2C)c(OC)c1S(=O)(=O)Cl	2149821598	CEBIDYKLTMWDJH-UHFFFAOYSA-N	320.758	0.908	70	10	DCIE	
CC1(C)CN(C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2N)CCS1(=O)=O	161479619	RODKWKRBPXSEQD-BJDJZHNGSA-N	300.424	0.395	70	10	DCIE	
CS(=O)(=O)[C@H]1CCN(CCCCS(=O)(=O)Cl)C1	2009682593	NUCXOJMQRYZREH-VIFPVBQESA-N	303.833	0.454	70	10	DCIE	
O=S(=O)(Cl)CCCN1CCC[C@]12CCS(=O)(=O)C2	2040652888	DHOLMHFHNDQDHM-SNVBAGLBSA-N	315.844	0.598	70	10	DCIE	
C[C@H]1CC[C@H](CC(=O)Nc2nn(C)cc2S(=O)(=O)F)O1	2161089591	PRWYIRQLRIOXTL-JGVFFNPUSA-N	305.331	0.974	70	10	DCIE	
CN(C)C1CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	382355738	SGEZQZYOCMVLTI-UHFFFAOYSA-N	322.383	0.279	70	10	DCIE	
CCN(C)C(=O)CCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	2173770943	XTDCSPFJFZQSAJ-UHFFFAOYSA-N	324.746	0.587	70	10	DCIE	
Cc1ccc(O[C@@H]2CC(=O)N(C)C2=O)c(S(=O)(=O)F)c1	2191423158	CQUPKPIRVJOYQF-SECBINFHSA-N	301.295	0.789	70	10	DCIE	
C[C@@H]1OCC[C@@H]1CC(=O)Nc1nn(C)cc1S(=O)(=O)F	2196351545	DNPVAUBAQRLORD-JGVFFNPUSA-N	305.331	0.832	70	10	DCIE	
Cc1n[nH]c(C)c1CC(=O)N1CC(CCS(=O)(=O)F)C1	2199690170	PTZAWRRGMBGPRA-UHFFFAOYSA-N	303.359	0.717	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1c(F)ccc(F)c1F	2284155881	RKUZRSQNLXDYEI-UHFFFAOYSA-N	312.244	0.732	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccc2nsnc2c1	2284151211	PGPNUIMSTJMQHB-UHFFFAOYSA-N	316.339	0.320	70	10	DCIE	
O=C(N[C@H]1COC2(COC2)C1)c1cc(S(=O)(=O)Cl)c[nH]1	2286280385	PPFVVIPKHRYLRO-SSDOTTSWSA-N	320.754	0.230	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@H](COC)OC	2125944021	XPGDYMOLDGHPMA-QMMMGPOBSA-N	312.775	0.618	70	10	DCIE	
CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)C(N)=O	1539748977	SFLWFHJNGUSMMV-JTQLQIEISA-N	302.327	0.585	70	10	DCIE	
CC1CC(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)(C(N)=S)C1	160294283	RXNSHWBUGPBERZ-SSOKKCIESA-N	309.435	0.816	70	10	DCIE	
CN(C)C(=O)NCCNC(=O)[C@@H](C(N)=S)c1ccccc1	160879011	YRUKGFPBAYQJOX-LLVKDONJSA-N	308.407	0.444	70	10	DCIE	
C[C@H](N)[C@H]1CN(c2c(Cl)cnn(CC3CC3)c2=O)CCO1	159950154	PBJPQAJQQGKWAZ-JOYOIKCWSA-N	312.801	0.859	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CCCOC1CCC1	2145140355	FMCOYAMVOMZAHM-UHFFFAOYSA-N	322.770	0.836	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1ccc(Cl)nn1	1974402939	SCVZXTWBRZSRLU-UHFFFAOYSA-N	322.749	0.539	70	10	DCIE	
COC(=O)c1nsc(SCCS(=O)(=O)Cl)n1	1985649691	AHHZAGYBHHALME-UHFFFAOYSA-N	302.786	0.985	70	10	DCIE	
CCn1c(-c2ccc3nncn3c2)nnc1S(=O)(=O)Cl	2159837214	SIAWBCUBXYPLES-UHFFFAOYSA-N	312.742	0.935	70	10	DCIE	
CN(C[C@@H]1CO[C@@H]2COC[C@H]21)c1ncncc1[B-](F)(F)F	2172772403	MZTJEPWWMWHWFX-WCABBAIRSA-N	302.085	0.629	70	10	DCIE	
CS(=O)(=O)CS(=O)(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2073783387	VTSHHKACCUXDLK-YUMQZZPRSA-N	320.143	0.632	70	10	DCIE	
CN(CCS(=O)(=O)Cl)S(=O)(=O)c1cccs1	309077089	CTUNHDHDQCOPHD-UHFFFAOYSA-N	303.814	0.937	70	10	DCIE	
CCOc1ccccc1OCNC(=O)N1CCN(CCN)CC1	217289623	DJGVKDZDTGCOFC-UHFFFAOYSA-N	322.409	0.708	70	10	DCIE	
CNS(=O)(=O)c1ccc(CNC[C@@H](C)N(C)C2CC2)o1	217535461	BKAZBXWPYDBXGX-SNVBAGLBSA-N	301.412	0.760	70	10	DCIE	
CNc1ncc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)s1	161466471	UDHZYKHSZGQLDM-SECBINFHSA-N	320.378	0.454	70	10	DCIE	
O=C(NC1(CO)CC1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O	160408544	NAPWUDSEQRSBTF-JTQLQIEISA-N	310.300	0.959	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cc(N)cc(C)c2F)CCOC1	159898831	VNUQMHFFOWLBIS-CYBMUJFWSA-N	318.370	0.800	70	10	DCIE	
CNC[C@@H]1CCN(c2cnn(CC(=O)OC)c(=O)c2Cl)C1	159364742	STEGOLJHLAUFSE-VIFPVBQESA-N	314.773	0.115	70	10	DCIE	
COc1ccc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)cn1	1968226380	BEICAQGNXVUJSQ-JTQLQIEISA-N	302.327	0.994	70	10	DCIE	
CO[C@@H](C(=O)N1CC[C@@H](S(=O)(=O)F)C1)C1CCOCC1	2150283216	OVRLBBHOTSTISI-GHMZBOCLSA-N	309.359	0.328	70	10	DCIE	
CO[C@H](C(=O)N1CC[C@H](S(=O)(=O)F)C1)C1CCOCC1	2150283221	OVRLBBHOTSTISI-QWRGUYRKSA-N	309.359	0.328	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCO[C@@H]([C@@H]3CCOC3)C2)nc1	2172774172	LNCCAZKJFBQFKI-MWLCHTKSSA-N	302.085	0.773	70	10	DCIE	
Cc1ccnc(C)c1C(=O)N1CCN(S(=O)(=O)F)CC1	2186434804	VYJDYNCQAPWVKX-UHFFFAOYSA-N	301.343	0.671	70	10	DCIE	
COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)F)cc1	2191429416	YOVPLFKZQMGJSG-VIFPVBQESA-N	305.327	0.875	70	10	DCIE	
O=C([C@@H]1OC[C@H]2CCCC[C@@H]21)N1CC(CS(=O)(=O)F)C1	2233186276	NNIGORPJFOOWLW-GRYCIOLGSA-N	305.371	0.949	70	10	DCIE	
O=S(=O)(Cl)c1cn(CCN2C[C@@H]3CC[C@H](C2)O3)cn1	2226947656	NDLJABLRJBBYAP-AOOOYVTPSA-N	305.787	0.674	70	10	DCIE	
COc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)c(Cl)c1	2284150387	JLBWAOYSAACREP-UHFFFAOYSA-N	322.745	0.977	70	10	DCIE	
O=C(CN1C(=O)c2ccccc2C1=O)N1CCc2ncncc2C1	218062371	DWQNIUNGXNHJFK-UHFFFAOYSA-N	322.324	0.658	70	10	DCIE	
CC12CC(C1)[C@@H](C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)CO2	2362910560	PRXKGDQUHFAIST-QLWZBITOSA-N	306.359	0.206	70	10	DCIE	
NCCN1CCN(C(=O)NCOc2ccc(Cl)cc2)CC1	217301627	KWDUKMJARIOAJG-UHFFFAOYSA-N	312.801	0.962	70	10	DCIE	
CN1CCN(S(=O)(=O)N(C)C)C[C@H]1c1ccc(F)cc1	216871658	KPLKGFSITKBUBJ-ZDUSSCGKSA-N	301.387	0.921	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C2(C(F)(F)F)CC2)[nH]1	1923157490	CJVRZVUAPFAJGR-UHFFFAOYSA-N	315.248	0.781	70	10	DCIE	
CS(=O)(=O)N1CCN(CC[C@@H](N)c2ccc(F)cn2)CC1	161304416	UZIWDIKFTDIPBA-GFCCVEGCSA-N	316.402	0.188	70	10	DCIE	
CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(CCO)C1CC1)CC2	161387382	JNCDTEBSRGRXDX-NSHDSACASA-N	307.398	0.883	70	10	DCIE	
C[C@H](CC(F)(F)F)C(=O)N1CCN(S(=O)(=O)F)CC1	1974001478	USJKXWYSNUMLLZ-SSDOTTSWSA-N	306.281	0.933	70	10	DCIE	
CC(C)n1ncc(N(C)C[C@H]2CNCCO2)c(Cl)c1=O	159855408	XEYVBLCUNZYTJZ-SNVBAGLBSA-N	300.790	0.902	70	10	DCIE	
NC(=O)NCCNC[C@H](O)COc1cc(Cl)ccc1Cl	160991920	JPCHUKQFAIQOFV-VIFPVBQESA-N	322.192	0.991	70	10	DCIE	
CC(F)(F)CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2036070694	FYPNZRKYQCWIRR-UHFFFAOYSA-N	302.686	0.922	70	10	DCIE	
O=C(N1CCC[C@H](S(=O)(=O)F)C1)[C@@]12COC[C@@H]1C2(F)F	2161913276	MUFIYSRSABFCMW-OYNCUSHFSA-N	313.297	0.558	70	10	DCIE	
C#C[C@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	2169182101	ZHBJLWHNVFOSLX-JTQLQIEISA-N	317.363	0.989	70	10	DCIE	
CCc1[nH]nc(C(=O)N2C[C@@H]3C[C@H](C2)O3)c1S(=O)(=O)Cl	2198548740	OUBJBEOWXHCRQS-KNVOCYPGSA-N	319.770	0.513	70	10	DCIE	
CCC[C@H](COC)C(=O)NC1CCN(S(=O)(=O)F)CC1	2193445532	LNTOCPVLPBTLSQ-SNVBAGLBSA-N	310.391	0.844	70	10	DCIE	
O=S(=O)(CCC1CCC1)NCC1CN(S(=O)(=O)F)C1	2108153537	JHMMLIHTZPDWJZ-UHFFFAOYSA-N	314.404	0.242	70	10	DCIE	
COc1nc(N2CC[S@@](=O)C[C@H]2C)ncc1[B-](F)(F)F	2116128072	CTEARJPMCGLLTD-JLPJYYFKSA-N	308.114	0.497	70	10	DCIE	
CS(=O)(=O)[C@H]1CCN(c2ncc([B-](F)(F)F)cc2F)C1	2123305652	KYINSNDCXHPZSK-QMMMGPOBSA-N	311.089	0.898	70	10	DCIE	
O=C(N[C@H]1CCc2ncnn2C1)N1CCC(c2ccn[nH]2)CC1	161232846	BYTIUEBVYXNOMR-LBPRGKRZSA-N	315.381	0.905	70	10	DCIE	
CCOC(=O)C[C@H](C)NC(=O)Cn1c(=O)[nH]c2ccccc21	160544767	FSEDVCCPVRZIQS-JTQLQIEISA-N	305.334	0.788	70	10	DCIE	
CCOC(=O)c1nnn(CC(=O)NCC2CC2)c1C(F)F	159603607	AVVHNIKEQDZJSG-UHFFFAOYSA-N	302.281	0.919	70	10	DCIE	
COc1ccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)cc1	2144732456	GBSGEPGCKYZGFN-LLVKDONJSA-N	323.367	0.758	70	10	DCIE	
COC(C)(C)CNS(=O)(=O)CCOc1cccc(N)c1	159893869	GQAVQVXJUJGPGI-UHFFFAOYSA-N	302.396	0.992	70	10	DCIE	
CS(=O)(=O)CCOC[C@@H](CS(=O)(=O)Cl)C1CC1	2015764263	CFPQYYPWGYJCGM-VIFPVBQESA-N	304.817	0.642	70	10	DCIE	
CCS(=O)(=O)NC1CN(c2nccc(C)c2[B-](F)(F)F)C1	2172780463	QMIJVHHKXAQOSX-UHFFFAOYSA-N	322.141	0.572	70	10	DCIE	
O=C1C[C@]2(CCCN3CCSC[C@H]32)N1S(=O)(=O)Cl	717781026	IBIOMIRRUPMSPD-WPRPVWTQSA-N	310.828	0.652	70	10	DCIE	
O=S1(=O)CC[C@@H]2CN(c3nc([B-](F)(F)F)cs3)C[C@@H]21	2052596874	FDTWIIHMXPWRAC-RQJHMYQMSA-N	311.139	0.821	70	10	DCIE	
C[C@@H](OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)F)CC1	2192191527	YUDBAIVUVPHABC-SECBINFHSA-N	310.391	0.985	70	10	DCIE	
CCC1(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CC1	2259007591	HVFUXZLXFXGWCN-MRVPVSSYSA-N	300.377	0.137	70	10	DCIE	
O=C(COc1ccc(F)cc1)NC1CN(S(=O)(=O)F)C1	2284150661	LLJVXLRYWHPRNS-UHFFFAOYSA-N	306.290	0.219	70	10	DCIE	
CCCn1c(Cc2ccn(C)n2)nnc1S(=O)(=O)Cl	694893492	HEESCXMUBPBMAU-UHFFFAOYSA-N	303.775	0.940	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCn2nncc2C1	1537829657	KEPNHLUTCCJXPO-UHFFFAOYSA-N	313.314	0.311	70	10	DCIE	
Cn1nnnc1Cn1cc(S(=O)(=O)Cl)nc1C1CCC1	1922247070	UTMZCAFRQWWTNR-UHFFFAOYSA-N	316.774	0.650	70	10	DCIE	
O=C(C[C@@H]1CCCCO1)NC1CCN(S(=O)(=O)F)CC1	1974394963	SBGBBERYCPPXLA-NSHDSACASA-N	308.375	0.741	70	10	DCIE	
CC(C)CS(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2049917678	HPILRHORWDTCFO-UHFFFAOYSA-N	302.393	0.241	70	10	DCIE	
CO[C@H](C)c1noc(Cn2cc(S(=O)(=O)Cl)cn2)n1	2113363569	NDTKZQZLJCIIQC-ZCFIWIBFSA-N	306.731	0.949	70	10	DCIE	
Cc1cnsc1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2114596397	KYBMRYMYVPWNST-UHFFFAOYSA-N	304.328	0.517	70	10	DCIE	
O=C(C1C[C@H]2[C@H](C1)C2(F)F)N1CCN(S(=O)(=O)F)CC1	2163668476	XRJXBHFXRVUKOC-IUCAKERBSA-N	312.313	0.636	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N(C)C[C@@H]2COCCO2)n1	2172757991	KCHOIEHIPRZPJX-SNVBAGLBSA-N	304.101	0.999	70	10	DCIE	
C#CC[C@H](C(=O)NC1CCN(S(=O)(=O)F)CC1)C1CC1	2196799907	GFSFMBJSSDRETD-LBPRGKRZSA-N	302.371	0.831	70	10	DCIE	
C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC(CS(=O)(=O)F)C1	2199682272	GVEAKBZGRAHVLO-QMMMGPOBSA-N	308.375	0.295	70	10	DCIE	
Cn1cc(Cl)c(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)n1	2271493996	GNXFPKUMAWJNJC-LURJTMIESA-N	310.738	0.092	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cccn1C1CC1	2287075997	QAWHAYALXJOVFV-SECBINFHSA-N	301.343	0.841	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@H]2COCC[C@H]21	2355951966	RRXAFEYBJMHBIW-YWVKMMECSA-N	318.782	0.717	70	10	DCIE	
O=C([C@H]1COC2(CCC2)CO1)N1CC[C@H](S(=O)(=O)F)C1	2364157205	ODTQJDDURQZHEN-VHSXEESVSA-N	307.343	0.225	70	10	DCIE	
C#CCNC(=O)COc1ccc(S(=O)(=O)Cl)cc1F	216008131	ZVMSUMJYDIUQDT-UHFFFAOYSA-N	305.714	0.881	70	10	DCIE	
C[C@]12C[C@H](C1)[C@@H](C(=O)NCC1CN(S(=O)(=O)F)C1)CO2	2362913461	UKBQOERFOGOWGZ-JBLDHEPKSA-N	306.359	0.064	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ncoc1C(F)(F)F	2284151019	ODQHPIJTHAXEPZ-UHFFFAOYSA-N	317.220	0.322	70	10	DCIE	
C#CCNCCC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1485739620	WPDXWQAXHVFPCS-JTQLQIEISA-N	315.370	0.794	70	10	DCIE	
C#CCN[C@@H](CC)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1715087055	ZXHSETQUEWMPCT-VIFPVBQESA-N	301.343	0.404	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)C2CCCC2)n1	1923195017	XKZWSVXXIHJKRE-UHFFFAOYSA-N	311.360	0.763	70	10	DCIE	
CN(CC(=O)NC(C)(C)C)C(=O)N[C@@H]1CCc2ncnn2C1	161226355	OBLCDXMHRPLFQU-SNVBAGLBSA-N	308.386	0.149	70	10	DCIE	
CC[C@H](COC)NS(=O)(=O)c1ccc(C(=O)NC)cc1	160284896	SSYCLRQWQYBKHD-LLVKDONJSA-N	300.380	0.750	70	10	DCIE	
CNS(=O)(=O)c1ccc(NC[C@H]2CCC[C@H]2CO)cc1N	159645556	MWMZUOAOIJTFPY-MNOVXSKESA-N	313.423	0.997	70	10	DCIE	
COC(=O)c1ccc(S(=O)(=O)NCCOC(C)C)c(N)c1	159876354	KBKUMSIMFYKGDH-UHFFFAOYSA-N	316.379	0.759	70	10	DCIE	
C[C@H]1CCO[C@@H]1CC(=O)NC1CCN(S(=O)(=O)F)CC1	1974394653	MRABCAOWBCZUNQ-GXSJLCMTSA-N	308.375	0.596	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1C[C@@H]2COC[C@H]2C1	718195372	SMSSBQSTKCYBCF-RKDXNWHRSA-N	318.782	0.671	70	10	DCIE	
COCCn1c([C@H]2CC[C@@H]2OC)nnc1S(=O)(=O)Cl	2227855999	QVUORZRPMDAZMO-YUMQZZPRSA-N	309.775	0.744	70	10	DCIE	
CS(=O)(=O)[C@H]1C[C@H](Cn2cc(S(=O)(=O)Cl)cn2)C1	2257551135	IXPFUYLHUTTZCC-ZKCHVHJHSA-N	312.800	0.634	70	10	DCIE	
C[C@H]1C[C@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C[C@@H](C)O1	2287076982	USDGLFDFUFOFNN-VLEAKVRGSA-N	308.375	0.595	70	10	DCIE	
CCc1[nH]nc(C(=O)NCCCOC)c1S(=O)(=O)Cl	115017949	OXIJOQPNBGWQRS-UHFFFAOYSA-N	309.775	0.666	70	10	DCIE	
CN(c1ncncc1[B-](F)(F)F)[C@@H]1CC[C@H](S(C)(=O)=O)C1	2361699367	XRWUKJSAXLLWAE-BDAKNGLRSA-N	322.141	0.933	70	10	DCIE	
O=C(NCc1ccc(Br)cc1)N(CCO)CCO	217315403	VTJUGXWWJFMPHZ-UHFFFAOYSA-N	317.183	0.945	70	10	DCIE	
Cc1ccc2nc(COCC(=O)N3CC[C@@H](O)[C@H](O)C3)[nH]c2c1	217057415	CNHLKLXIEOYJKL-ZIAGYGMSSA-N	319.361	0.342	70	10	DCIE	
Cn1c(C(C)(C)S(C)(=O)=O)nnc1S(=O)(=O)Cl	227588781	NGXPWWURDWZFFZ-UHFFFAOYSA-N	301.777	0.022	70	10	DCIE	
CC[C@@H](C)N(C)CCNS(=O)(=O)c1c(N)nn(C)c1C	218312943	RANGJLVVWXZAFQ-SECBINFHSA-N	303.432	0.319	70	10	DCIE	
C#CCONS(=O)(=O)c1ccccc1S(=O)(=O)Cl	311057792	HXBVXLRAZOPNKL-UHFFFAOYSA-N	309.752	0.457	70	10	DCIE	
CCNS(=O)(=O)c1ccccc1NCCNC(=O)N(C)C	161065818	LXESXVDKOHFYEH-UHFFFAOYSA-N	314.411	0.668	70	10	DCIE	
C[C@@H]([C@H](Cc1cncc(Br)c1)NN)S(C)(=O)=O	161156820	TZUFICHVWHMCLP-XVKPBYJWSA-N	322.228	0.652	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)C2(C)COC2)c1S(=O)(=O)Cl	2143191032	BLNRLRHVMFQXQP-UHFFFAOYSA-N	307.759	0.507	70	10	DCIE	
Cn1c(C(=O)N2CC(CS(=O)(=O)F)C2)ccc1[N+](=O)[O-]	1968215999	QNVUHTNQLSXRPV-UHFFFAOYSA-N	305.287	0.305	70	10	DCIE	
CC(C)CN1C[C@@H](C(=O)N2CC(S(=O)(=O)F)C2)CC1=O	1968215429	FZUWMPAEBGYEAO-VIFPVBQESA-N	306.359	0.001	70	10	DCIE	
Cc1cncc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)F)C2)c1	2144733676	SFURYUDZQDUJRF-JTQLQIEISA-N	322.383	0.842	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cccnc1Cl	1974057859	BCNOXFNLAFUAHT-UHFFFAOYSA-N	307.734	0.611	70	10	DCIE	
CC(C)n1c([C@H]2CCS2(=O)=O)nnc1S(=O)(=O)Cl	2033313629	QSHWOQXARXIGEW-ZCFIWIBFSA-N	313.788	0.646	70	10	DCIE	
COc1nc(N2CC[C@H](CN(C)C)C2)ncc1[B-](F)(F)F	2172770939	RXMUZMWLUWPGRB-SECBINFHSA-N	303.117	0.928	70	10	DCIE	
COCc1ccc(S(=O)(=O)CCS(=O)(=O)Cl)nc1	2078480365	WRGAKXYLJNRZDP-UHFFFAOYSA-N	313.784	0.570	70	10	DCIE	
O=C(c1ccn(C2CCC2)n1)N1CC(CS(=O)(=O)F)C1	2199697124	YMNSIMVYPFUAFK-UHFFFAOYSA-N	301.343	0.979	70	10	DCIE	
O=C([C@@H]1OCC[C@@H]1C(F)(F)F)N1CC(S(=O)(=O)F)C1	2231812424	LRHBVWIFFDCXJB-NKWVEPMBSA-N	305.249	0.464	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)cnn1CCN1CCN(C)CC1	2278119836	XAXSETSIMHJFJP-UHFFFAOYSA-N	306.819	0.366	70	10	DCIE	
Cc1cc(F)cnc1S(=O)(=O)CCS(=O)(=O)Cl	2299890837	WXTVDMFVQXCGGZ-UHFFFAOYSA-N	301.748	0.871	70	10	DCIE	
C[C@@]1([B-](F)(F)F)CCN(S(=O)(=O)CCS(C)(=O)=O)C1	2319672565	TVHDLQXXXFQYGX-MRVPVSSYSA-N	322.159	0.674	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CC(=O)NCC1CC1	215710638	ZCBKOBFYDOWTMV-UHFFFAOYSA-N	305.787	0.899	70	10	DCIE	
O=[N+]([O-])c1sccc1S(=O)(=O)CCS(=O)(=O)Cl	382630245	KTCCWTKMXYMFRL-UHFFFAOYSA-N	319.769	0.999	70	10	DCIE	
CC(C)(C)OC(=O)NC[C@@H]1COCCN1S(=O)(=O)Cl	1953574294	SZGGICBQCXSBFS-MRVPVSSYSA-N	314.791	0.696	70	10	DCIE	
O=S1(=O)C[C@@H]2CCN(c3ccc([B-](F)(F)F)cn3)[C@H]2C1	2116150814	VVOSAZISYMKGIR-WPRPVWTQSA-N	305.110	0.759	70	10	DCIE	
CC(C)(C)OC(=O)NCC[C@@H]1CC(=O)N1S(=O)(=O)Cl	1931193303	DBSWBAVREIVUGX-SSDOTTSWSA-N	312.775	0.986	70	10	DCIE	
CCNC(=O)C1CN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1	161299922	FCJLCZIREWQQHO-UHFFFAOYSA-N	302.334	0.075	70	10	DCIE	
CC(C)(CNC(=O)C[C@@H]1NC(=O)NC1=O)Cc1ccccc1	160910198	GTIZKBIPMVXWIG-LBPRGKRZSA-N	303.362	0.970	70	10	DCIE	
O=C([C@@H]1COCCC1(F)F)N1CC(CS(=O)(=O)F)C1	1973027796	HMEYXJUJUZBUPQ-QMMMGPOBSA-N	301.286	0.416	70	10	DCIE	
O=C(Cc1ccccc1F)N1CCN(S(=O)(=O)F)CC1	1974000742	GBSKIJCHXFSBGL-UHFFFAOYSA-N	304.318	0.727	70	10	DCIE	
C[C@H]1C[C@H](CCn2cc(S(=O)(=O)Cl)c(O)nc2=O)CO1	2159303151	VLTBEENYWNXUDX-YUMQZZPRSA-N	322.770	0.692	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]3C2)cc1	380381431	LNJMQYASVMQRDO-IUCAKERBSA-N	305.352	0.985	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1C[C@@H]2OCCN(C)[C@@H]2C1	2172790467	SXZKOLOKKPYLMI-NEPJUHHUSA-N	300.113	0.964	70	10	DCIE	
COc1nc(N2C[C@H]3CC[C@H]2CN3C)ncc1[B-](F)(F)F	2186673454	BHOGGFJFYQTSNZ-BDAKNGLRSA-N	301.101	0.822	70	10	DCIE	
CC(F)(F)[C@@H]1C[C@@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	2108153478	IXFGCOJDTXIZEW-JGVFFNPUSA-N	300.302	0.540	70	10	DCIE	
COC(=O)c1cc(S(C)(=O)=O)cc(S(=O)(=O)Cl)c1	59228116	ZJNHSCVBRWFTEF-UHFFFAOYSA-N	312.752	0.804	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CCCS(C)(=O)=O	112423390	XTVYZXHHPBSLTL-UHFFFAOYSA-N	314.816	0.808	70	10	DCIE	
COCc1nn(CC(=O)O)c(Cl)c1S(=O)(=O)Cl	127787905	HURUWQOHCXCHIY-UHFFFAOYSA-N	303.123	0.695	70	10	DCIE	
COC(=O)CCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	217287618	PWQCUUYASVYBJK-ZDUSSCGKSA-N	319.361	0.650	70	10	DCIE	
CC(C)Cn1c(Cn2cncn2)nnc1S(=O)(=O)Cl	232655186	DHLZKPWXHJHQOX-UHFFFAOYSA-N	304.763	0.501	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2CC[C@H]2OC)c1S(=O)(=O)Cl	724418409	DJHLTIABXOABLZ-HTQZYQBOSA-N	321.786	0.807	70	10	DCIE	
COc1ccccc1S(=O)(=O)N1CC(S(=O)(=O)F)C1	2134974840	KUGAKNLQIVRAPL-UHFFFAOYSA-N	309.340	0.367	70	10	DCIE	
C[C@H]([C@H](Cc1ccc(Br)cn1)NN)S(C)(=O)=O	161131379	SVOLQJXGCBNKFV-XCBNKYQSSA-N	322.228	0.652	70	10	DCIE	
CCn1cnnc1[C@@H]1CCCN(CC(=O)NCCCOC)C1	161417680	AIQPGFNMJPBVIY-CYBMUJFWSA-N	309.414	0.630	70	10	DCIE	
C[C@@H](CO)N(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1	160389793	XDGYDKUSRIPKNU-VIFPVBQESA-N	305.783	0.953	70	10	DCIE	
CCN(CC)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@H](C1)N2	160638226	QESVMSHORMUEHX-TXEJJXNPSA-N	303.428	0.011	70	10	DCIE	
Nc1cc(F)c(S(=O)(=O)NCCNC(=O)C2CC2)c(F)c1	160650091	GQFNJXOTPMSWOJ-UHFFFAOYSA-N	319.333	0.352	70	10	DCIE	
O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](S(=O)(=O)F)C1	1968234908	GWLFLLQCQJIADU-SECBINFHSA-N	301.295	0.929	70	10	DCIE	
COc1nc(N(C)Cc2cn(C)nn2)ncc1[B-](F)(F)F	2172767172	QKQWOOYKJAJHFV-UHFFFAOYSA-N	301.061	0.305	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@H]32)c1S(=O)(=O)Cl	2174639807	DGSIVMUTHAIDDY-BDINMYNLSA-N	319.770	0.274	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cc(Cl)ns2)[nH]1	2110894382	AUABXICKHKOZDR-UHFFFAOYSA-N	324.746	0.862	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)CC2CC(F)C2)CC1	2092500472	WDTJSEBPDLQACR-UHFFFAOYSA-N	317.379	0.828	70	10	DCIE	
O=S1(=O)CC[C@@H](S(=O)(=O)N2CC[C@@H]([B-](F)(F)F)C2)C1	2319679399	GLJNAHHOKZUJMR-HTQZYQBOSA-N	320.143	0.427	70	10	DCIE	
C[C@@H]1CN(CCCCS(=O)(=O)Cl)CCS1(=O)=O	708313474	MEDSLBXBZOGODW-SECBINFHSA-N	303.833	0.454	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)C1CC(S(C)(=O)=O)C1	716052776	DEBSPKMQQFJWCW-UHFFFAOYSA-N	303.833	0.453	70	10	DCIE	
COCCn1nnnc1Sc1ccncc1[B-](F)(F)F	2116092396	LGXQYIDVEBXLIO-UHFFFAOYSA-N	304.086	0.920	70	10	DCIE	
C#C[C@H]1COCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1	1349717318	HNIFPUWOTFPFQX-LBPRGKRZSA-N	311.334	0.748	70	10	DCIE	
CC(C)NCc1cc(S(=O)(=O)NCCCN(C)C)c[nH]1	217453743	LXLIPWUBTQWKRD-UHFFFAOYSA-N	302.444	0.743	70	10	DCIE	
CN(C1COC1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1915681122	XEQODNURTLLUDR-UHFFFAOYSA-N	309.340	0.364	70	10	DCIE	
C#CCN(C)CCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1717212078	NWLIVAAELYAKEX-UHFFFAOYSA-N	315.370	0.700	70	10	DCIE	
CO[C@@]1(CNc2nc(Cl)nc(-n3cccn3)n2)CCOC1	161051308	ZCCSYFBCCNYBEE-GFCCVEGCSA-N	310.745	0.928	70	10	DCIE	
NN[C@H](Cc1cncc(Br)c1)[C@H]1COCCO1	161148441	UJULQGFMWPIUQT-GHMZBOCLSA-N	302.172	0.634	70	10	DCIE	
Nc1cc(F)ccc1-c1nnnn1[C@H]1CCCS(=O)(=O)C1	160040294	DYYGGCGLFVFUCL-VIFPVBQESA-N	311.342	0.811	70	10	DCIE	
COC(=O)Cn1ncc(N(C)[C@@H](CN)C2CC2)c(Cl)c1=O	160049776	LMIQIQXXIKCPLQ-VIFPVBQESA-N	314.773	0.243	70	10	DCIE	
CCC[C@H]1C(=O)NC(=O)N(CCCCOCCOC)C1=O	160594624	DUEAWHSCYMMVEA-NSHDSACASA-N	300.355	0.924	70	10	DCIE	
O=C(c1n[nH]c(C2CC2)n1)N1CCC[C@H](S(=O)(=O)F)C1	2144732799	JNZUBUBBBFQVJY-QMMMGPOBSA-N	302.331	0.586	70	10	DCIE	
CC(C)(C)[C@H]1CCN(S(=O)(=O)CCN2CCNCC2)C1	160619501	WKNFSOLDZOZOKB-ZDUSSCGKSA-N	303.472	0.589	70	10	DCIE	
C[C@H]1CN(C(F)(F)COS(=O)(=O)C(F)(F)F)C[C@H]1N	852749750	DUPJQGUSHQYMFM-NTSWFWBYSA-N	312.260	0.724	70	10	DCIE	
O=C(C[C@@H]1C[C@H]1C(F)(F)F)NCC1CN(S(=O)(=O)F)C1	2185243941	VIJNQJTUIUNWBF-JGVFFNPUSA-N	318.292	0.837	70	10	DCIE	
Cc1ccnc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c1[B-](F)(F)F	2336404643	HKSOMDUJNOBZLQ-RKDXNWHRSA-N	305.110	0.678	70	10	DCIE	
CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1N1CCN(S(C)(=O)=O)CC1	217961272	LVKDCRVQPVJNJG-ZNMIVQPWSA-N	317.499	0.976	70	10	DCIE	
COCC(COC)NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	388513549	UITWHFIIZMJEOH-UHFFFAOYSA-N	310.759	0.333	70	10	DCIE	
C[C@H](C(=O)Nc1ncc(S(=O)(=O)F)s1)n1cncn1	1438189444	OQAHJMNEANRBBC-RXMQYKEDSA-N	305.316	0.593	70	10	DCIE	
C[C@@H]1C[C@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)[C@@H](C)O1	1923156452	LBNWLAOVEKXHHE-PRJMDXOYSA-N	305.331	0.252	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cccc(F)n2)[nH]1	1923143674	YXJOUOQTLLMXJJ-UHFFFAOYSA-N	302.262	0.287	70	10	DCIE	
CC(=O)N(C)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1734811559	MUUWVFYAZMOVPK-SSDOTTSWSA-N	305.331	0.270	70	10	DCIE	
Nc1ccc(Cl)c(CN2CCOC[C@H]2C(=O)NC2CC2)n1	160389534	OLNVZBVFIIFUCZ-LBPRGKRZSA-N	310.785	0.797	70	10	DCIE	
COC(=O)CCCS(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	160503680	QVBWJJGJYLCPFA-TZMCWYRMSA-N	319.423	0.896	70	10	DCIE	
O=S1(=O)CC[C@@H](COc2ccc(S(=O)(=O)F)cc2)N1	1875879097	BXMGXKGOTOSXCZ-QMMMGPOBSA-N	309.340	0.415	70	10	DCIE	
CN(CC(=O)N1CC[C@H](S(=O)(=O)F)C1)C(=O)OC(C)(C)C	1885611868	YQKNDAAWGVRVCR-VIFPVBQESA-N	324.374	0.754	70	10	DCIE	
O=C([C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@@H]21)N1CCC(S(=O)(=O)F)CC1	2144733753	SXXOOBXMPKZMEV-OOCWMUITSA-N	303.355	0.700	70	10	DCIE	
O=C(CCOCC(F)F)NC1CCN(S(=O)(=O)F)CC1	1974394624	MANOSRTVDOIOLI-UHFFFAOYSA-N	318.317	0.453	70	10	DCIE	
N#Cc1cncc(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)c1	2144733775	TYTQOMMMTJXKMB-VIFPVBQESA-N	319.339	0.016	70	10	DCIE	
Cc1nnc(O)c(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)c1C	2144733355	PESBYMXFWQAGTO-MRVPVSSYSA-N	303.315	0.313	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CNC(=O)C1	2182344682	SKPRFMNLRYABSY-QMMMGPOBSA-N	321.786	0.483	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)O3)cc1	2198543740	YHSSZNKMDJEUBV-DTORHVGOSA-N	321.351	0.507	70	10	DCIE	
C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2088470162	VBKIQJUSMDDSAH-ZJUUUORDSA-N	314.404	0.479	70	10	DCIE	
CC(C)n1c(CCn2cnnn2)nnc1S(=O)(=O)Cl	2090393209	ASFOJNCSPDKTDU-UHFFFAOYSA-N	305.751	0.016	70	10	DCIE	
Nc1cccc(Cl)c1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287066195	VNBFSXYEROTQIG-SSDOTTSWSA-N	321.761	0.941	70	10	DCIE	
CC1(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CC(F)(F)C1	2271486060	SXDSNCZZGSHPDF-ZETCQYMHSA-N	300.302	0.827	70	10	DCIE	
COc1ccnc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1	2287070936	WBHXUABLJJLNGH-QMMMGPOBSA-N	303.315	0.109	70	10	DCIE	
CC(C)(C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCCO1	2287077802	MPZHPGJUDHGVRP-VHSXEESVSA-N	308.375	0.596	70	10	DCIE	
COC1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	311543433	YVGRAGKIHPGHGM-UHFFFAOYSA-N	309.340	0.364	70	10	DCIE	
C[C@H](CN(C)C)Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2224594391	YOMWFIODZXEIRI-SSDOTTSWSA-N	309.775	0.074	70	10	DCIE	
CC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H](O)C(F)F	1347339063	BSXDNZGGNBPTPL-SVRRBLITSA-N	314.285	0.807	70	10	DCIE	
Cc1c(CNC(=O)NCCCCN2CCOCC2)cnn1C	160263348	FSGBLGMCZNVZDR-UHFFFAOYSA-N	309.414	0.640	70	10	DCIE	
Cn1cc(CCCNC(=O)CNC(=O)c2cccnc2)cn1	160939144	KSFAFZXOYBHTBF-UHFFFAOYSA-N	301.350	0.294	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)c1F	159442905	ROEPVNJSWSRLLN-VIFPVBQESA-N	315.370	0.602	70	10	DCIE	
Cc1c(B(O)O)cc(C(=O)OC(C)(C)C)cc1S(=O)(=O)F	1887551569	CSOMBVNANBCKSW-UHFFFAOYSA-N	318.131	0.288	70	10	DCIE	
O=C(C[C@@H]1CCCOCC1)N1CCN(S(=O)(=O)F)CC1	1974013950	CIEJXDKVXNRKAU-LLVKDONJSA-N	308.375	0.552	70	10	DCIE	
CO[C@]1(CNc2cc(N)cc(S(N)(=O)=O)c2)CCOC1	159961594	XDKTXROKEWQBGU-LBPRGKRZSA-N	301.368	0.134	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)[C@H]1CS(=O)(=O)C1(C)C	2036308824	UDJJMPLUVXBPFT-VIFPVBQESA-N	317.860	0.843	70	10	DCIE	
Cc1cc(C)c(OCC(=O)NC(N)=O)c(S(=O)(=O)F)c1	2191434343	JHBMHADTKSIHPP-UHFFFAOYSA-N	304.299	0.535	70	10	DCIE	
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC(CCS(=O)(=O)F)C1	2199696508	HCEHODRJMPYVNH-UHFFFAOYSA-N	305.287	0.684	70	10	DCIE	
O=C(C[C@@H]1CCCOCC1)N[C@H]1CCN(S(=O)(=O)F)C1	2287065390	MANNEYRBTXFVAJ-MNOVXSKESA-N	308.375	0.598	70	10	DCIE	
COc1ccccc1OCNC(=O)N[C@@H]1CCS(=O)(=O)C1	217308901	ABIOBBFHIQZLGA-SNVBAGLBSA-N	314.363	0.518	70	10	DCIE	
O=c1cc(-c2nnc(S(=O)(=O)Cl)n2C2CC2)cc[nH]1	236027550	VDEVWHNVVBPQBI-UHFFFAOYSA-N	300.727	0.896	70	10	DCIE	
C[C@@]1(C(F)(F)F)C[C@@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	2164437699	VIALQMCAZLFOCZ-VXNVDRBHSA-N	318.292	0.837	70	10	DCIE	
O=C1CC2(CCS(=O)(=O)CC2)[C@@H](CS(=O)(=O)Cl)O1	675053614	PGXPDGSOBPMUDC-SSDOTTSWSA-N	316.784	0.066	70	10	DCIE	
C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1S(=O)(=O)F	1954656225	MTRQBONWIYCIMB-VQVTYTSYSA-N	306.281	0.978	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)C[C@H]1CCCS1(=O)=O	694434350	WRYUTIWWIGALTH-SECBINFHSA-N	303.833	0.454	70	10	DCIE	
CCn1cncc1Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215929478	XTHDRRYGSRJZRE-UHFFFAOYSA-N	319.730	0.984	70	10	DCIE	
O=C(N[C@H]1C[C@@H](NCCCF)C1)c1cc(S(=O)(=O)F)c[nH]1	1714007267	IYVUIWOBGGQFIF-DTORHVGOSA-N	321.349	0.883	70	10	DCIE	
CNC(=O)c1cccc(CCC(=O)NCCOCCOC)c1	161224353	LLWFMAJQWMSQDX-UHFFFAOYSA-N	308.378	0.758	70	10	DCIE	
Cc1ccccc1[C@@H](O)CNC(=O)N[C@H]1CCc2ncnn2C1	161300766	MIDVBILRVGYENL-JSGCOSHPSA-N	315.377	0.934	70	10	DCIE	
CCCC[C@@H](NC(N)=O)C(=O)NC[C@@H]1CN(C2CC2)CCO1	160376618	FAHXYIZROLYLNR-CHWSQXEVSA-N	312.414	0.193	70	10	DCIE	
Cn1cc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)c(C(F)F)n1	1968234706	FADRNAUCUSWALE-ZCFIWIBFSA-N	311.285	0.872	70	10	DCIE	
CO[C@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C1	1974001548	VVQYKZZSBJWCEJ-QWRGUYRKSA-N	308.375	0.550	70	10	DCIE	
C[C@H]1OCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	163333989	YBDNMHXVNXKEGD-LDYMZIIASA-N	323.367	0.801	70	10	DCIE	
CN(C1CCC1)S(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2028770014	BNBLBFFGFHHEAB-VIFPVBQESA-N	300.377	0.089	70	10	DCIE	
CS(=O)(=O)NC1CCN(c2ccncc2[B-](F)(F)F)CC1	2172785574	LTFRUPCNRUWGSW-UHFFFAOYSA-N	322.141	0.654	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCOC[C@H]2[C@@H]2CCOC2)nc1	2172785902	WPNNUJFBLCIZMW-KOLCDFICSA-N	302.085	0.773	70	10	DCIE	
CS(=O)(=O)N1CCCN(c2ccc([B-](F)(F)F)cn2)CC1	2172788901	YKFHDMPJQJJMDF-UHFFFAOYSA-N	322.141	0.608	70	10	DCIE	
CCn1nnc(CN(C)c2ncnc(C)c2[B-](F)(F)F)n1	2197852597	KWANUMGMBZICAL-UHFFFAOYSA-N	300.077	0.482	70	10	DCIE	
CN1[C@@H](COc2ccc(S(=O)(=O)F)cc2)CCS1(=O)=O	2191433682	BKPVLLOFUXLBEO-SECBINFHSA-N	323.367	0.758	70	10	DCIE	
CCNC(=O)COc1ccc(C(=O)O)cc1S(=O)(=O)F	2191423618	IQSBKVBAYWLXEQ-UHFFFAOYSA-N	305.283	0.558	70	10	DCIE	
O=S(=O)(F)N1CCN(S(=O)(=O)C2CC3(CC3)C2)CC1	2107408935	RADKWWBYHHBGRA-UHFFFAOYSA-N	312.388	0.091	70	10	DCIE	
Cn1nc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cc1Cl	2271495130	LDVHXADLHHAHCJ-LURJTMIESA-N	310.738	0.092	70	10	DCIE	
CCNC(=O)Cn1nc([N+](=O)[O-])c(S(=O)(=O)Cl)c1C	302326250	RAVOPKJQPGGGTR-UHFFFAOYSA-N	310.719	0.163	70	10	DCIE	
CC(C)N1CCO[C@@H](Cn2cc(S(=O)(=O)Cl)cn2)C1	215885786	MIWDWBYRCBJZPX-SNVBAGLBSA-N	307.803	0.920	70	10	DCIE	
Cc1nn(C[C@@]2(C)CCNC2=O)c(C)c1S(=O)(=O)Cl	698366920	OLLAWDAPLMAQQK-LLVKDONJSA-N	305.787	0.954	70	10	DCIE	
O=C(Nc1ccccc1S(=O)(=O)F)[C@@H]1CCCS1(=O)=O	710432728	DCKKZKVGFKZSSV-JTQLQIEISA-N	321.351	0.861	70	10	DCIE	
CCS(=O)(=O)C[C@@H](C)N(C)c1ncncc1[B-](F)(F)F	2116146440	SYMZEOMHOQWGKE-MRVPVSSYSA-N	310.130	0.790	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@H]2CCO2)c1S(=O)(=O)Cl	2133033758	SUQHIKHIWUMQMP-ZCFIWIBFSA-N	307.759	0.418	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(N)c(F)cc1Cl	218145458	GVJPAXSAGHATEB-UHFFFAOYSA-N	323.777	0.818	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)C(F)(F)F)n1	1923191745	LRYSTGLVCNXLMP-UHFFFAOYSA-N	311.238	0.340	70	10	DCIE	
CCNc1snnc1CN1CCOC[C@H]1C(=O)NC1CC1	160391569	IPJMRULSVKQIOH-NSHDSACASA-N	311.411	0.449	70	10	DCIE	
CCS(=O)(=O)[C@H]1CSCCN1Cc1nnc(NC)s1	159466584	AEQIQPUCLYPXJG-VIFPVBQESA-N	322.481	0.889	70	10	DCIE	
C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)C[C@@H]1CCC[C@@H]1O	159686296	YOSYXIMGRALMCL-DYEKYZERSA-N	311.426	0.205	70	10	DCIE	
COc1nn(C[C@H]2CCN(C)C2)c(OC)c1S(=O)(=O)Cl	2149821579	CBDOPBZYNIGMGT-QMMMGPOBSA-N	323.802	0.780	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1c1nc(Cl)nnc1Cl	160285062	QKBPZCFRTNDJAD-ZETCQYMHSA-N	320.180	0.908	70	10	DCIE	
CC[C@@H]1COC[C@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	699751807	LVUURCWOUGDEGE-HTQZYQBOSA-N	321.786	0.800	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@H](C)C(=O)NC1CC1	2182342056	BTPJHAABFZCDAV-SSDOTTSWSA-N	321.786	0.797	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CC[C@]2(C1)CC2(F)F	2284151788	SUKPENWKBAEYNI-XVKPBYJWSA-N	312.313	0.827	70	10	DCIE	
O=S(=O)(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC12CCC2	2271506327	QJQRLOKRNRTIJR-DTWKUNHWSA-N	312.388	0.137	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)C1(CC(F)F)CCC1	2268808282	DNZBXQSZUOWTNX-UHFFFAOYSA-N	300.302	0.827	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C(F)(F)[C@H]1CCOC1	2287075963	PWPXGTLCKKLRAH-JGVFFNPUSA-N	316.301	0.063	70	10	DCIE	
O=C(COc1ccccc1)NC[C@H](O)Cn1ccccc1=O	218414338	VRCUEQYUTXGADU-ZDUSSCGKSA-N	302.330	0.404	70	10	DCIE	
CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1	936122559	OCYGJVFXKKCFOG-IUCAKERBSA-N	315.326	0.118	70	10	DCIE	
CC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C(N)=O	1129202268	TVODFIKHIGXOGE-SNVBAGLBSA-N	302.327	0.267	70	10	DCIE	
CNC(=O)CNC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1264375991	ZZWSCPXYOKHHOG-UHFFFAOYSA-N	308.718	0.474	70	10	DCIE	
C[C@@H](CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC#N	1283680349	TUMJUFMDYVFUSK-QMMMGPOBSA-N	302.331	0.247	70	10	DCIE	
Cn1cccc(C(=O)Nc2ncc(S(=O)(=O)F)s2)c1=O	1543636685	DQYSSVBTZOHLCW-UHFFFAOYSA-N	317.323	0.752	70	10	DCIE	
CC1(C)COCCN1CCn1cnc(S(=O)(=O)Cl)c1	1927073293	DVXPLEVSLBMMTL-UHFFFAOYSA-N	307.803	0.921	70	10	DCIE	
COCCNC(=O)c1cc(S(=O)(=O)Cl)cn1CCOC	229717865	BAAZZLHSGDWEEV-UHFFFAOYSA-N	324.786	0.438	70	10	DCIE	
Cc1noc2ncc(S(=O)(=O)N[C@@H]3CCC(=O)N(C)C3)cc12	160046981	ISLWVVXKVCNHPZ-SECBINFHSA-N	324.362	0.430	70	10	DCIE	
CC(C)CN1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)NC1=O	160446728	CLFDDMRIXSWBBG-NEPJUHHUSA-N	310.398	0.211	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)NC[C@H](C1CC1)N(C)C	160664073	ITQVLNWVAKZNMB-GFCCVEGCSA-N	308.382	0.940	70	10	DCIE	
C[C@H](O)c1cccc(S(=O)(=O)NCCNC(=O)C2CC2)c1	160914790	RAIUXWBDMBQQKP-JTQLQIEISA-N	312.391	0.544	70	10	DCIE	
CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(S(=O)(=O)F)[C@@H]2C1	1886614224	JUKKVEULVSWALL-ZJUUUORDSA-N	324.374	0.911	70	10	DCIE	
O=C([C@@H]1COCCC1(F)F)N1CCC[C@@H](S(=O)(=O)F)C1	1973212427	HSWWFUKDWXQSCE-BDAKNGLRSA-N	315.313	0.949	70	10	DCIE	
CCN(CC(C)(C)O)c1ccc(S(=O)(=O)NC)c(N)c1	159648971	ATUSHLRSIBQVBB-UHFFFAOYSA-N	301.412	0.774	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21	2170856972	NYEXBVSSFIHZFF-DJLDLDEBSA-N	312.313	0.540	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1[C@@H]2CCCO[C@H]21	2176466956	UJIYLMSFSSDFTL-HBNTYKKESA-N	306.359	0.206	70	10	DCIE	
CS(=O)(=O)CCS(=O)(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2070264262	NOCFNZQELSORMP-MRVPVSSYSA-N	322.159	0.674	70	10	DCIE	
CN1[C@H](COc2ccc(S(=O)(=O)F)cc2)CCS1(=O)=O	2191433683	BKPVLLOFUXLBEO-VIFPVBQESA-N	323.367	0.758	70	10	DCIE	
CCc1[nH]nc(C(=O)N2C[C@@H]3C[C@H](C2)O3)c1S(=O)(=O)Cl	2198571895	OUBJBEOWXHCRQS-KNVOCYPGSA-N	319.770	0.513	70	10	DCIE	
O=S1(=O)C[C@H]2CN(c3ncc(F)cc3[B-](F)(F)F)C[C@@H]21	2336509053	QZHWLUVTPAICAO-MUWHJKNJSA-N	309.073	0.508	70	10	DCIE	
Cc1nsc(N2CCC[C@@H](CNC(=O)[C@@H]3CCCN3)C2)n1	217048488	RQACOMHUUTUDEE-RYUDHWBXSA-N	309.439	0.931	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)C1CCS(=O)(=O)CC1	710697414	QFRODLSODKOCHY-UHFFFAOYSA-N	303.833	0.454	70	10	DCIE	
O=[N+]([O-])c1nn(C[C@H]2OCC[C@H]2F)cc1S(=O)(=O)Cl	2122531207	MCGHMSOUYQKGJO-PHDIDXHHSA-N	313.694	0.846	70	10	DCIE	
C#CCCNC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1271111321	CFMOYKWTUXRDFX-SNVBAGLBSA-N	315.370	0.746	70	10	DCIE	
CC#CCNS(=O)(=O)c1ccccc1S(=O)(=O)Cl	310597355	ICQNLHGENLMMKY-UHFFFAOYSA-N	307.780	0.916	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)CC2CCC2)n1	1923152941	MJEQNOIUYJMQLG-UHFFFAOYSA-N	311.360	0.620	70	10	DCIE	
CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1	161410281	KWQBCYIBYSNVMW-KFWWJZLASA-N	324.469	0.241	70	10	DCIE	
Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc(F)nc3)C2)cn1	160323571	MGMWPYVFNHBNIY-JTQLQIEISA-N	317.324	0.909	70	10	DCIE	
CCNC(=O)N1CC[C@@H](NC(=O)c2cnc3c(c2)ncn3C)C1	160822151	MUBJIMKJBFDFAI-LLVKDONJSA-N	316.365	0.502	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1c1cccnc1C(N)=S	159804620	UDXWILIHCBFWJV-NSHDSACASA-N	308.407	0.447	70	10	DCIE	
COc1nc(N2C[C@H](OC)[C@@H](OC)C2)ncc1[B-](F)(F)F	2172767682	XKGSOSGIGSPVPG-IUCAKERBSA-N	306.073	0.390	70	10	DCIE	
Cc1nc(N2CC[C@H]3OCCO[C@H]3C2)ncc1[B-](F)(F)F	2172769495	YMKLBNJJKJFETJ-MNOVXSKESA-N	302.085	0.834	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1[C@H]1COC[C@H]1OC	2182344498	QJPNAOJNVSOJKO-DTWKUNHWSA-N	324.786	0.933	70	10	DCIE	
N#Cc1cc(F)cc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)c1	2199698934	SROYOZQTXAAQNJ-UHFFFAOYSA-N	322.314	0.370	70	10	DCIE	
COc1cccc(OC)c1C(=O)N1CC(S(=O)(=O)F)C1	2199683314	XIQQQEFMPQKLGE-UHFFFAOYSA-N	303.311	0.828	70	10	DCIE	
CCC1(OC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)COC1	2272935677	RUZOSTBZOWOCIM-UHFFFAOYSA-N	308.743	0.981	70	10	DCIE	
CCN(c1ncc([B-](F)(F)F)cn1)[C@H](C)CS(C)(=O)=O	2116147294	AVVWAFRYOVYJCL-MRVPVSSYSA-N	310.130	0.790	70	10	DCIE	
C[C@H](CNCCF)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1715361531	KUHUZITYJSMRKV-MRVPVSSYSA-N	309.338	0.693	70	10	DCIE	
C[C@@H]1COCC[C@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923178592	RWXFGEUHCSOLQP-HTQZYQBOSA-N	305.331	0.111	70	10	DCIE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923157049	RRPHOQUDCFDSOV-XAVMHZPKSA-N	301.343	0.731	70	10	DCIE	
Cc1ncsc1CCOC[C@@H](O)CNCC(C)(C)CO	160163357	GDSUTWZJECGXLP-LBPRGKRZSA-N	302.440	0.980	70	10	DCIE	
C[C@H](NC(=O)[C@H]1OCC[C@H]1C)c1cccc(S(N)(=O)=O)c1	160265486	NVXCQPWKPIXFNK-NRUUGDAUSA-N	312.391	0.936	70	10	DCIE	
CNC[C@H]1COCCN1c1ccccc1S(=O)(=O)N(C)C	160423666	KOJILIATMJMYJC-LBPRGKRZSA-N	313.423	0.362	70	10	DCIE	
NC(=S)c1cc(N2CCOC[C@@H]2C(=O)NC2CC2)ccn1	159810414	HUHBZVKHUYFASB-GFCCVEGCSA-N	306.391	0.200	70	10	DCIE	
COc1cc(S(=O)(=O)NC[C@@]2(OC)CCOC2)ccc1N	159908564	UUWHTFGQMGXNPU-ZDUSSCGKSA-N	316.379	0.361	70	10	DCIE	
CN([C@@H](CN)C1CC1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2	159969168	CBBODOAESLWAHV-ZDUSSCGKSA-N	309.391	0.539	70	10	DCIE	
Cc1nc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)ncc1[B-](F)(F)F	2172765466	RJTKREQMJHDMSA-SCZZXKLOSA-N	320.125	0.463	70	10	DCIE	
CN(C[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21)c1ncccc1[B-](F)(F)F	2174649273	QMSADMWQYFLIIX-ILWJIGKKSA-N	319.137	0.863	70	10	DCIE	
C[C@H]1OC2(C(=O)N=c3[nH]n(C)cc3S(=O)(=O)F)CC1C2	2193083401	UPHYXAPVBCNESU-JYHQXFQUSA-N	303.315	0.006	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCCC(=O)N(C)C	2182342485	HFYRAORRFPWPCP-UHFFFAOYSA-N	323.802	0.825	70	10	DCIE	
CN1CCOC[C@@H]1Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	2283075820	JMFUYSCSOBVALM-ZETCQYMHSA-N	324.746	0.049	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c1S(=O)(=O)Cl	2354052320	FKBSYGYLIIUDOB-CSMHCCOUSA-N	319.770	0.553	70	10	DCIE	
O=C(Nc1ccc(S(=O)(=O)F)nc1)[C@H]1CCS(=O)(=O)C1	2166529756	DNLOQMJDWCTOEY-ZETCQYMHSA-N	322.339	0.113	70	10	DCIE	
CO[C@@H]1C[C@@H]1CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2131636923	AYWQVLJYOQHTGZ-RNFRBKRXSA-N	307.759	0.410	70	10	DCIE	
O=C(c1cc2c(s1)CCOC2)N1CC(S(=O)(=O)F)C1	2134987565	AZGPOFHWSSBAHO-UHFFFAOYSA-N	305.352	0.945	70	10	DCIE	
CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H](O)C1)CC2	161367322	UQJFZLULLANUSS-RYUDHWBXSA-N	307.398	0.883	70	10	DCIE	
NCCNC(=O)[C@H]1CCCN(c2nnc(C(F)(F)F)s2)C1	160366017	PRXMQGQLXVAHAO-ZETCQYMHSA-N	323.344	0.848	70	10	DCIE	
O=C(CCN1CCN(c2ccccn2)CC1)NC1(CO)CC1	160370687	NXVGQECLAPXGSU-UHFFFAOYSA-N	304.394	0.235	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N[C@@H]2CCCOC2)c1	163322392	QRIBZLZMFUTKLF-SECBINFHSA-N	323.367	0.802	70	10	DCIE	
N[C@@H]1CCCCC[C@H]1Nc1cnn(CCO)c(=O)c1Cl	159363314	QBQFLFYXLDJYBP-NXEZZACHSA-N	300.790	0.961	70	10	DCIE	
CC[C@@H](Nc1cc(S(N)(=O)=O)ccc1OC)C(=O)OC	159527296	CGINEDNVZXIGBN-SECBINFHSA-N	302.352	0.706	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCCC(=O)N(C)C)cc1N	159609487	AFQQCOCYRJLVKN-UHFFFAOYSA-N	300.384	0.067	70	10	DCIE	
CCc1ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)s1	161424249	ZGGBDDMLOXOCFK-LBPRGKRZSA-N	306.453	0.901	70	10	DCIE	
C[C@H]1C[C@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CCS1	2159691041	YQGKLZFZQBCNFJ-JGVFFNPUSA-N	321.399	0.970	70	10	DCIE	
Cc1ncnc(N(C)C2CCS(=O)(=O)CC2)c1[B-](F)(F)F	2172766521	HXXSZLFSRWSEGP-UHFFFAOYSA-N	322.141	0.853	70	10	DCIE	
Cc1cnc(N2CC[C@@H](NS(C)(=O)=O)C2)c([B-](F)(F)F)c1	2172799846	LIZNTFBIUKEABR-SECBINFHSA-N	322.141	0.572	70	10	DCIE	
COc1ncnc(S(=O)(=O)CCS(=O)(=O)Cl)c1C	2078534949	PDSWSVHDIJIVIP-UHFFFAOYSA-N	314.772	0.136	70	10	DCIE	
C[C@H](CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1)P(C)(C)=O	2271503489	SBCOMHWVIQZWGF-BDAKNGLRSA-N	314.319	0.793	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)[nH]1	2359617940	CJCREYLNPKVCLB-DJLDLDEBSA-N	301.343	0.875	70	10	DCIE	
COC(=O)[C@@H](CC(C)C)NCC(=O)N1C[C@H](C)O[C@@H](C)C1	217664182	CNUIAFWEBQPTEO-RWMBFGLXSA-N	300.399	0.800	70	10	DCIE	
O=C(N[C@H]1C[C@H]2CC[C@@H]1O2)c1cc(S(=O)(=O)Cl)c[nH]1	133521310	PYPDNFVWSYPSEJ-PMVVWTBXSA-N	304.755	0.992	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2CC3(COC3)C2)c1	697146275	FHCXDSWMBLSOHQ-UHFFFAOYSA-N	321.351	0.366	70	10	DCIE	
NC(=O)[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C[B-](F)(F)F)C1	1955896388	RDMUVZASPRXHRH-RITPCOANSA-N	320.022	0.227	70	10	DCIE	
COCCNC(=O)Cn1nc(C)c(S(=O)(=O)Cl)c1C	215786349	WVTYHWLMARMBAK-UHFFFAOYSA-N	309.775	0.190	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CC(=O)NC1CCOCC1	215846096	YYTAKETYRPDIED-UHFFFAOYSA-N	321.786	0.414	70	10	DCIE	
COc1cc(C(=O)N(C)c2nn[nH]n2)ccc1S(=O)(=O)F	1461560301	VQNOCHIXOILATC-UHFFFAOYSA-N	315.286	0.143	70	10	DCIE	
CCn1cnnc1[C@@H]1CCCN(CCC(=O)N2CCOCC2)C1	161269504	UHYKCEVJHPMQAW-CQSZACIVSA-N	321.425	0.726	70	10	DCIE	
CCNC(=O)N1CC[C@@H](NC(=O)N(CCN(C)C)C(C)C)C1	159680441	AFJITOXYNIBPDP-CYBMUJFWSA-N	313.446	0.772	70	10	DCIE	
CCCn1c(-c2cccc(=O)[nH]2)nnc1S(=O)(=O)Cl	233412112	AOCCOMQWEMKSEK-UHFFFAOYSA-N	302.743	0.971	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1CC2(CCCO2)C1	1974055404	QNNWNMUVCFKHNU-UHFFFAOYSA-N	306.359	0.208	70	10	DCIE	
CCS(=O)(=O)[C@H]1CCN(c2ncnc(C)c2[B-](F)(F)F)C1	2179895694	WXNWEAZRNVGYSY-VIFPVBQESA-N	322.141	0.853	70	10	DCIE	
O=C(NCOc1ccc(Cl)cc1)N1CCN(CCO)CC1	217301670	HEKHXSHPINYIIA-UHFFFAOYSA-N	313.785	0.996	70	10	DCIE	
CC[C@](C)(NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C(N)=O	1538432966	WYBPUDHNLPJJHK-ZDUSSCGKSA-N	316.354	0.658	70	10	DCIE	
Cc1cc(N)ccc1S(=O)(=O)N(C)CC1(O)CCOCC1	161005509	LSIKXTZPGLPNMT-UHFFFAOYSA-N	314.407	0.739	70	10	DCIE	
CN(C(=O)c1cc(F)c(F)cc1S(N)(=O)=O)[C@H]1CCOC1	160510593	BIYURSHJJKOKCY-ZETCQYMHSA-N	320.317	0.473	70	10	DCIE	
O=C(NC1CC1)[C@H]1COCCN1C(=O)c1ccnc(Cl)c1	159514424	RPHIAXUKSZAGHV-LLVKDONJSA-N	309.753	0.855	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CCC23COC3)cc1	1964011451	NOQLXPLWEFYERN-UHFFFAOYSA-N	321.351	0.508	70	10	DCIE	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CCCS(=O)(=O)Cl	2004031854	MFNULAZRUOCJBN-IUCAKERBSA-N	305.849	0.699	70	10	DCIE	
CN([C@@H]1CCOC1)S(=O)(=O)c1cccc(F)c1C(N)=S	159445531	OSKANYQZNDJJFQ-MRVPVSSYSA-N	318.395	0.869	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CCCN(c2ncc([B-](F)(F)F)cn2)C1	2172771721	DFKSVOONEJLSOH-SECBINFHSA-N	322.141	0.792	70	10	DCIE	
CS(=O)(=O)N[C@H]1CCCN(c2ncc([B-](F)(F)F)cn2)C1	2172773830	HBNYDEBJDSSUQS-VIFPVBQESA-N	323.129	0.049	70	10	DCIE	
CC(C)CCS(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2045936829	MZUJBAVCWDJVBT-UHFFFAOYSA-N	302.393	0.098	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC1[C@H]2CCC[C@H]12	2093682967	BASGSGKLDFCXMI-BQBZGAKWSA-N	304.755	0.923	70	10	DCIE	
NC(=O)COCCOc1ccc(S(=O)(=O)Cl)cc1F	2232232570	JQBODZCTDYDEJB-UHFFFAOYSA-N	311.718	0.634	70	10	DCIE	
O=C([C@H]1OCC[C@H]1C(F)(F)F)N1CC(CS(=O)(=O)F)C1	2240546720	JLNWVDORTDMUCF-SFYZADRCSA-N	319.276	0.712	70	10	DCIE	
CN1CCC(C)(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CC1	2287065297	LAXFKIANVGDUNE-SNVBAGLBSA-N	307.391	0.123	70	10	DCIE	
Cc1oc(C(=O)NCC[S@@](C)=O)cc1S(=O)(=O)Cl	135261794	VYKJEOKPOCBUMB-KRWDZBQOSA-N	313.784	0.624	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1cnc2ccccc2n1	112215121	VOUROLVFFDUJST-UHFFFAOYSA-N	320.779	0.972	70	10	DCIE	
CS(=O)(=O)CC[C@@H](N)C(=O)N1CCC[C@@H]2CCCC[C@H]21	218010986	SZYKGLSDBUXSJG-YNEHKIRRSA-N	302.440	0.930	70	10	DCIE	
Cn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)F)nc2)cn1	2166519312	NYEFHLHHXYTTTE-UHFFFAOYSA-N	320.327	0.274	70	10	DCIE	
CC(=O)N[C@@H](C)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1701429472	GPKFODCVNNIFCG-QMMMGPOBSA-N	319.358	0.708	70	10	DCIE	
CCNc1cc(S(=O)(=O)NC[C@@]2(OC)CCOC2)ccn1	161206455	BCWYZXJFNJKQRN-ZDUSSCGKSA-N	315.395	0.597	70	10	DCIE	
Cc1ccn2c(=O)c(C(=O)N3C[C@@H]4CCC[C@H](C3)N4)cnc2c1	160273118	UACIECBGHBTKBC-BETUJISGSA-N	312.373	0.969	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1c1cccnc1C(N)=S	159804734	UDXWILIHCBFWJV-LLVKDONJSA-N	308.407	0.447	70	10	DCIE	
CC(C)(C)CC(=O)NCC(=O)NC[C@H](O)CN1CCCCC1	159990794	KRDGUUBOKCFHGC-ZDUSSCGKSA-N	313.442	0.502	70	10	DCIE	
Cc1ncc(O[C@H]2CCN(S(C)(=O)=O)C2)cc1[B-](F)(F)F	2148867467	JRPOAUHNDAQFRB-VIFPVBQESA-N	323.125	0.857	70	10	DCIE	
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CO1	401463445	KKVXQRWIAHWOFX-RKDXNWHRSA-N	323.367	0.801	70	10	DCIE	
C[C@H]1CCCN1CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2161264652	BKESJMSNYLWROD-QMMMGPOBSA-N	321.786	0.361	70	10	DCIE	
Cn1c([C@H]2CCc3c[nH]nc3C2)nnc1S(=O)(=O)Cl	2088321208	NJAOZYIEVWXHBN-LURJTMIESA-N	301.759	0.738	70	10	DCIE	
CS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1	112060630	PFRNDQFRVCHVBN-UHFFFAOYSA-N	311.768	0.597	70	10	DCIE	
C[C@H](NC(=O)NCCN1CCNCC1)Oc1ccc(O)cc1	217277675	PDFNGNYTUHUKSV-GFCCVEGCSA-N	308.382	0.321	70	10	DCIE	
CCOC(CNC(=O)N[C@H]1CC(=O)N(C(C)C)C1)OCC	217289299	ZINCFEWSWVXPQY-NSHDSACASA-N	301.387	0.694	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2CCOC2)c1S(=O)(=O)Cl	131885851	CPMVMKAPLPUPSH-LURJTMIESA-N	307.759	0.418	70	10	DCIE	
Cc1nc(C)c(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)o1	723669855	QEBNFAKHJRJRGP-UHFFFAOYSA-N	319.726	0.530	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1Cc1cc[nH]n1	694695583	WGPSWJVTAJSUSC-UHFFFAOYSA-N	305.703	0.799	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@H]1Br	1897126362	XCKHNXSJVBYUDD-RNFRBKRXSA-N	315.164	0.032	70	10	DCIE	
O=C(COCc1ccccc1)NCC1CN(S(=O)(=O)F)C1	1956199341	MJCZMXDXPPTWGT-UHFFFAOYSA-N	316.354	0.466	70	10	DCIE	
CC(C)NC(=O)CCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215915584	BWNASFRYSGIFPB-UHFFFAOYSA-N	324.746	0.634	70	10	DCIE	
O=S(=O)(Cl)c1cccc(S(=O)(=O)N2CC(F)C2)c1	1917261234	GTMKQPDCSRBTHF-UHFFFAOYSA-N	313.759	0.957	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ccnc(Cl)c2)[nH]1	1923186966	UAEIGLVZOXGYNX-UHFFFAOYSA-N	318.717	0.801	70	10	DCIE	
Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCC[C@H](C(N)=O)C1	160213191	JNCGKZSUAUSHBT-WDEREUQCSA-N	314.411	0.359	70	10	DCIE	
Cc1c(F)cc(N)cc1S(=O)(=O)NCCNC(=O)C1CC1	160651473	PATSTVSAYQTPKK-UHFFFAOYSA-N	315.370	0.521	70	10	DCIE	
COC(=O)Cn1ncc(N[C@@H]2CCC[C@H]2CN)c(Cl)c1=O	159639301	JGDYNTZBMFTLEJ-DTWKUNHWSA-N	314.773	0.609	70	10	DCIE	
CC(C)(C)NC(=O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1	159397876	LPDAPAQZOFSGCD-CYBMUJFWSA-N	310.442	0.315	70	10	DCIE	
O=C(N1CCC[C@H](S(=O)(=O)F)C1)[C@@]12CCCN(CC1)C2	2144733173	NCHOMWJTOLBUPX-AAEUAGOBSA-N	304.387	0.763	70	10	DCIE	
CO[C@H]1CC[C@@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)C1	1974394768	OYXOUJWKVRJPCY-KOLCDFICSA-N	308.375	0.596	70	10	DCIE	
COc1nc(N(C)C)sc1CNCCNC(=O)N(C)C	160771180	MTEXJLYHCJWWBS-UHFFFAOYSA-N	301.416	0.579	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)c2cccc(F)n2)C1	2228555086	KZPZXYKTJCYOFH-SSDOTTSWSA-N	312.319	0.283	70	10	DCIE	
COc1nc(N2CC(c3nncs3)C2)ncc1[B-](F)(F)F	2285440401	OZPMSHYLAAAYLU-UHFFFAOYSA-N	316.097	0.995	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(O[C@H]2CCN(S(C)(=O)=O)C2)n1	2285601211	VHYHDGQTJPIKCU-VIFPVBQESA-N	323.125	0.857	70	10	DCIE	
C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C[C@@H](C)O1	2287076986	USDGLFDFUFOFNN-VPOLOUISSA-N	308.375	0.595	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C1C[C@@H]2CC[C@H](C1)O2	2287062107	BUKUPFARRQQQFO-QBUCEGOBSA-N	306.359	0.349	70	10	DCIE	
COC[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2287071403	TYIGEQKRNQGXMB-GMTAPVOTSA-N	308.375	0.454	70	10	DCIE	
CCc1c(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cnn1C	2287080275	YUYOMLNCYPRFME-MRVPVSSYSA-N	304.347	0.001	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)n1	2336520084	JZEVHHHMIQBHPF-APPZFPTMSA-N	306.098	0.073	70	10	DCIE	
CC(=O)Nc1cccc(NC(=O)N2CCN(CCN)CC2)c1	217300600	BKYZIUUYSCACBI-UHFFFAOYSA-N	305.382	0.753	70	10	DCIE	
O=C(NC[C@@H](O)Cn1ccccc1=O)c1cc(C2CC2)on1	218431484	FOFJZOPIVLXBNX-LLVKDONJSA-N	303.318	0.505	70	10	DCIE	
CCOc1ccc(CNC(=O)N2CCN(CCN)CC2)cc1	217300833	NHIKHQAKOLJKSO-UHFFFAOYSA-N	306.410	0.871	70	10	DCIE	
COc1cc(C(=O)N[C@@]23COC[C@@H]2C3)ccc1S(=O)(=O)F	906133448	DGARKZMVWZBQDP-ZANVPECISA-N	315.322	0.872	70	10	DCIE	
C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)Cl)C1	1953573947	PKGDXSIEQLBPJI-WDSKDSINSA-N	308.709	0.859	70	10	DCIE	
CCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1COCC	2125954657	XODUWNAYONOEBN-UHFFFAOYSA-N	309.775	0.483	70	10	DCIE	
COCCn1c([C@@H]2C[C@@H]2COC)nnc1S(=O)(=O)Cl	2133500425	LIKNPIJKDGTGRB-HTQZYQBOSA-N	309.775	0.602	70	10	DCIE	
N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NS(=O)(=O)c1cc(F)ccc1Cl	218581378	PYUJYZWERYSQPX-BWWFWGKFSA-N	320.773	0.872	70	10	DCIE	
CN(C1CCCCC1)S(=O)(=O)N1CC(S(=O)(=O)F)C1	2134976006	UXQRKGRHXCANFQ-UHFFFAOYSA-N	314.404	0.479	70	10	DCIE	
CC(C)OC(C)(C)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923143435	GZVRERYXLNAERS-UHFFFAOYSA-N	307.347	0.642	70	10	DCIE	
Cc1cc(S(=O)(=O)N(C)CC2(O)CCOCC2)ccc1N	161032059	SOBLMMARPQSBHS-UHFFFAOYSA-N	314.407	0.739	70	10	DCIE	
O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC1(CO)CC1	160228105	RNVBBEKIPIPNRD-UHFFFAOYSA-N	303.767	0.755	70	10	DCIE	
CC(=O)NCCCCCC(=O)N1CC[C@@H](S(=O)(=O)F)C1	2144734014	WHOBEBVWBCNANU-LLVKDONJSA-N	308.375	0.583	70	10	DCIE	
COCCn1c([C@H]2[C@H]3COCC[C@@H]32)nnc1S(=O)(=O)Cl	2150055785	VACDMRUGLYLOSP-XHNCKOQMSA-N	321.786	0.602	70	10	DCIE	
CCCNC(=O)CNS(=O)(=O)c1cc(N)cc(C)c1F	159468946	OFXXEPVNSLAZJC-UHFFFAOYSA-N	303.359	0.521	70	10	DCIE	
CC[C@H](N[C@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)OC	159494751	WUBUOYYGCFILJD-SKDRFNHKSA-N	300.380	0.936	70	10	DCIE	
COCCn1c(CC[C@H]2CCOC2)nnc1S(=O)(=O)Cl	401525952	RSQXVHLOFUKMMC-VIFPVBQESA-N	323.802	0.821	70	10	DCIE	
C[C@H]1CC[C@H](CCn2cc(S(=O)(=O)Cl)c(O)nc2=O)O1	2161164057	LKHKRLZLEMZPEC-JGVFFNPUSA-N	322.770	0.834	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)C1CC2(CCC2)C1	717687519	IFLPGFFWKASQKT-UHFFFAOYSA-N	301.817	0.807	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2[C@@H]3COC[C@H]23)c1S(=O)(=O)Cl	385936181	LACXQRDXDAOMIA-WHUPJOBBSA-N	319.770	0.268	70	10	DCIE	
CCn1nnc(Cn2cc(S(=O)(=O)Cl)nc2C2CC2)n1	2197874081	LNRFTSQSAKYRRB-UHFFFAOYSA-N	316.774	0.743	70	10	DCIE	
O=C(c1noc2c1CCC2)N1CC(CCS(=O)(=O)F)C1	2199698980	TYLHXBSFUWNSEY-UHFFFAOYSA-N	302.327	0.925	70	10	DCIE	
CC[C@@H]1CC[C@@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)O1	2201434823	RKYKZHXYWMAYHR-SFYZADRCSA-N	305.331	0.396	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)CC2COC2)c1S(=O)(=O)Cl	2269834065	CPBNLMRRYJJQFB-UHFFFAOYSA-N	307.759	0.364	70	10	DCIE	
Cc1ccc(C(=O)N2CCN(S(=O)(=O)F)CC2)c(N)c1	2286913206	LGUUDKMMVWTGBQ-UHFFFAOYSA-N	301.343	0.549	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2C=C[C@H]1CC2	2164435118	GITAXVGRDHOMAR-ZMLRMANQSA-N	302.371	0.851	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)Nc2cnsn2)c1	848947977	UXZWSIZRPYYGTR-UHFFFAOYSA-N	323.352	0.997	70	10	DCIE	
C[C@@H]1OCC[C@@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2121147857	OKLQMTMNKLRPEH-NKWVEPMBSA-N	308.743	0.301	70	10	DCIE	
O=C1NCCCC[C@H]1n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215919242	RAQXSGRAOSWOLU-ZCFIWIBFSA-N	322.730	0.560	70	10	DCIE	
CC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1725885650	CDUYZPCXJUSUIT-NKWVEPMBSA-N	305.331	0.316	70	10	DCIE	
CC1(CNC(=O)N2CCN(Cc3ccccn3)CC2)COC1	160187886	ONKIJWJECKVXOU-UHFFFAOYSA-N	304.394	0.945	70	10	DCIE	
COCCN(C)CCNS(=O)(=O)c1cc(N)cc(C)c1F	159516394	XDVHZTUDHAAQMH-UHFFFAOYSA-N	319.402	0.573	70	10	DCIE	
CNC(=O)COc1cccc(CC(=O)NC[C@@H]2CCC[C@H]2O)c1	159943106	MDWQRKOZOKCGJF-DZGCQCFKSA-N	320.389	0.631	70	10	DCIE	
O=C(c1cnnn1C1CC1)N1CCC[C@H](S(=O)(=O)F)C1	1968235281	KAOMKAFCBOMWIB-VIFPVBQESA-N	302.331	0.517	70	10	DCIE	
CS[C@@H]1CN(CCCS(=O)(=O)Cl)C[C@H]1N(C)C	2004060095	UVTROICSRANAEJ-NXEZZACHSA-N	300.877	0.923	70	10	DCIE	
C[C@H](NC[C@@H]1CCS(=O)(=O)C1)C(=O)NCC(F)(F)F	159782087	SJXYUZHVAUUQHL-YUMQZZPRSA-N	302.318	0.078	70	10	DCIE	
Cc1[nH]nc(C(=O)OCCn2ccnc2)c1S(=O)(=O)Cl	2184420564	SDNGSRCVODYUGF-UHFFFAOYSA-N	318.742	0.699	70	10	DCIE	
O=C(N1CC(S(=O)(=O)F)C1)C12CC(C1)[C@H](C(F)(F)F)O2	2199685826	IAFSBNJYEJFRBM-HUASBAKNSA-N	317.260	0.606	70	10	DCIE	
COc1ccc(C(=O)NCC2CN(S(=O)(=O)F)C2)s1	2108157895	PFHQGYYDGAFZKL-UHFFFAOYSA-N	308.356	0.633	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@@H]2CC[C@H](C1)O2	2287066503	BUKUPFARRQQQFO-CHWFTXMASA-N	306.359	0.349	70	10	DCIE	
O=C([C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1CCC(S(=O)(=O)F)CC1	2353948843	SXXOOBXMPKZMEV-DGORSVRFSA-N	303.355	0.700	70	10	DCIE	
Cc1[nH]c(=O)sc1S(=O)(=O)N1[C@@H](C)C[C@@H]2CNC[C@@H]21	217805630	PUUGBXKXRMUMQP-ZQARSLAVSA-N	303.409	0.116	70	10	DCIE	
CCn1c(-c2cnn3ccncc23)nnc1S(=O)(=O)Cl	231929810	HATSBXRIRLMICF-UHFFFAOYSA-N	312.742	0.935	70	10	DCIE	
COC[C@H]1C[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	2117727221	GHNJOEJLGJRLRX-VXNVDRBHSA-N	306.771	0.717	70	10	DCIE	
CCCNCc1cn[nH]c1S(=O)(=O)NCCCN(C)C	217467532	JRSQZVGZXADBTO-UHFFFAOYSA-N	303.432	0.139	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[nH]1	1923158564	QYMCQSQQJYXGMJ-PRJMDXOYSA-N	303.315	0.006	70	10	DCIE	
C#CCN(C)CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1667627751	YCHDXSQPQZXWAO-UHFFFAOYSA-N	301.343	0.310	70	10	DCIE	
NC(=S)c1cccnc1N1CCOC[C@H]1C(=O)NC1CC1	159808393	WCKFAMRWAGWHHC-NSHDSACASA-N	306.391	0.200	70	10	DCIE	
O=C([C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@H]21)N1CCC[C@@H](S(=O)(=O)F)C1	2144733072	MGGFQYAQFZERLA-OHUUWBQVSA-N	303.355	0.700	70	10	DCIE	
O=C(c1cc(F)ccc1O)N1CCN(S(=O)(=O)F)CC1	1974000489	ALODKGYENWSDMO-UHFFFAOYSA-N	306.290	0.503	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1C[C@@H]2CC[C@H](C1)O2	1974055056	MDEBHDFZAKKISN-RTCCRHLQSA-N	306.359	0.206	70	10	DCIE	
O=C(CC1CC(F)(F)C1)NCC1CN(S(=O)(=O)F)C1	1974055232	OIXAJLOBIRTEAX-UHFFFAOYSA-N	300.302	0.684	70	10	DCIE	
Cc1nc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)ncc1[B-](F)(F)F	2172758182	MMBSYSAGHJUQJL-RKDXNWHRSA-N	322.141	0.851	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CNC(=O)C1	2182344681	SKPRFMNLRYABSY-MRVPVSSYSA-N	321.786	0.483	70	10	DCIE	
O=C1C[C@@H](C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)NC(=O)N1	2194129447	KLTLMOSEVYECCG-OKTBNZSVSA-N	304.057	0.425	70	10	DCIE	
O=C(N1CC(CCS(=O)(=O)F)C1)C(F)(F)[C@@H]1CCOC1	2199683654	CNFCPUMVDPGTGV-SECBINFHSA-N	315.313	0.806	70	10	DCIE	
CC(F)(F)CS(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2079008428	JMMXZJDOCBWONQ-UHFFFAOYSA-N	309.331	0.593	70	10	DCIE	
CC[C@H]1CC[C@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)O1	2201434821	RKYKZHXYWMAYHR-JGVFFNPUSA-N	305.331	0.396	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C(F)(F)C(F)(F)F	2271493605	SGGAIVINKUYMKG-BYPYZUCNSA-N	314.207	0.589	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cc([N+](=O)[O-])cs1	2268808634	FYTPMMQSCXXKKU-UHFFFAOYSA-N	309.300	0.285	70	10	DCIE	
CN(C)S(=O)(=O)[C@@H]1CCN(c2ncc([B-](F)(F)F)cn2)C1	2279226267	XJUNGXDXBDDHNY-SECBINFHSA-N	323.129	0.001	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2C[C@H]3CS(=O)(=O)[C@H]3C2)n1	2336520079	JZAIXYCXCWHARC-WPRPVWTQSA-N	305.110	0.678	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2CCC[C@@H]3C[C@H]23)[nH]1	2354345510	NFZZMCMWHOGGKR-VGMNWLOBSA-N	301.343	0.875	70	10	DCIE	
CCCS(=O)(=O)N(CCN1CCOCC1)C1CCOCC1	217285392	RHICXRDGDYJYQP-UHFFFAOYSA-N	320.455	0.539	70	10	DCIE	
CC(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCF	1319944355	OQODUTLTBCGEHU-LLVKDONJSA-N	323.365	0.986	70	10	DCIE	
C[C@H](O)CN(C)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1265036557	GOKKMVUREGNIJY-VIFPVBQESA-N	321.374	0.105	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1cccc2nncn12	1924566159	INKYNIVAHBMERW-UHFFFAOYSA-N	309.756	0.072	70	10	DCIE	
CC[C@@H](F)C(=O)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1736849379	QDISUYJDRTYYIE-MRVPVSSYSA-N	323.321	0.267	70	10	DCIE	
CC#CCNC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1698845670	MYCKKLQJNOKZPO-SNVBAGLBSA-N	315.370	0.746	70	10	DCIE	
CNC(=O)c1cncc(/C=C/C(=O)N[C@@H](CO)CC(C)C)c1	161276333	ZBFPCKWBXWRYNO-ISZGNANSSA-N	305.378	0.978	70	10	DCIE	
C[C@H](NC(=O)Nc1cnn(CCN(C)C)c1)[C@@H]1CN(C)CCO1	160238211	MUSSECHFTQSRCT-JSGCOSHPSA-N	324.429	0.285	70	10	DCIE	
O[C@H](C[C@H]1COCCN1Cc1nnnn1C1CC1)c1ccco1	159652251	NEIDNJBBGUXYIQ-QWHCGFSZSA-N	319.365	0.926	70	10	DCIE	
C[C@]1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CCCOC1	1974395246	XTTNODFZTJWWLU-LBPRGKRZSA-N	308.375	0.598	70	10	DCIE	
C[C@H]1CN(CCn2cnc(S(=O)(=O)Cl)c2)C[C@@H](C)O1	313795821	KSFGDUVFNOYKLX-AOOOYVTPSA-N	307.803	0.920	70	10	DCIE	
COCC(COC)C(=O)Nc1ccc(S(=O)(=O)F)nc1	2199394721	XPSXHEQQUBPBBZ-UHFFFAOYSA-N	306.315	0.587	70	10	DCIE	
COCc1cc(C(=O)N2CC(CCS(=O)(=O)F)C2)no1	2199695208	CYOHVPGETORVFX-UHFFFAOYSA-N	306.315	0.582	70	10	DCIE	
Cc1nc[nH]c1S(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2093397911	GOIFLEBMOYZXCC-QMMMGPOBSA-N	311.360	0.171	70	10	DCIE	
Cc1ccc(OCCOCC(N)=O)c(S(=O)(=O)Cl)c1	2232233671	NEYNKTITLUVURT-UHFFFAOYSA-N	307.755	0.803	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cccn1CC(F)F	2284154310	YAAUGFNZNWQQRQ-UHFFFAOYSA-N	311.285	0.382	70	10	DCIE	
CCc1cc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)n(C)n1	2287076457	SKYNFKAXZNTWPA-SECBINFHSA-N	304.347	0.001	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ncoc1C1CC1	2287071114	HRIDAQIDVPLGAB-QMMMGPOBSA-N	303.315	0.570	70	10	DCIE	
CCc1[nH]nc(C(=O)O[C@@H]2CCOC2)c1S(=O)(=O)Cl	115022634	IBHNPVLXYUYERW-ZCFIWIBFSA-N	308.743	0.845	70	10	DCIE	
O=C(C1CCN(Cc2ccco2)CC1)N1CC[C@@H](CO)[C@H](O)C1	217017670	HTPIIMBYOUIDPI-GOEBONIOSA-N	322.405	0.693	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CN(C)CCO1	215803882	PMBVQGHNIMCAJH-VIFPVBQESA-N	307.803	0.704	70	10	DCIE	
CC/C=C/NC(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1	218477632	UWNKIJJCULOACO-HOSRBBHYSA-N	303.428	0.670	70	10	DCIE	
CS(=O)(=O)N1CCN(c2ccncc2[B-](F)(F)F)CC1	2116145593	NAPHXOJBRZSBOR-UHFFFAOYSA-N	308.114	0.218	70	10	DCIE	
CCS(=O)(=O)C[C@H](C)N(C)c1ncc([B-](F)(F)F)cn1	2116147372	BNTQKFARMVLSQB-QMMMGPOBSA-N	310.130	0.790	70	10	DCIE	
O=S(=O)(CCCO)NCCc1ccc2c(c1)OCCO2	217755260	ZFTWDNGCNPITSO-UHFFFAOYSA-N	301.364	0.302	70	10	DCIE	
CCCn1c(-c2ccc(=O)n(C)c2)nnc1S(=O)(=O)Cl	1915585145	YRCIWYDVNOIGRI-UHFFFAOYSA-N	316.770	0.981	70	10	DCIE	
CC(C)n1c(C[C@H]2COCCO2)nnc1S(=O)(=O)Cl	1916704359	VCJVWNFMACEABK-QMMMGPOBSA-N	309.775	0.744	70	10	DCIE	
Cc1cc(C[C@H](C)NC(=O)c2cccc(OCC(N)=O)c2)n[nH]1	161366286	XTFQHCKZNILEAR-JTQLQIEISA-N	316.361	0.943	70	10	DCIE	
Cc1ccc2ncc(C(=O)N3C[C@@H]4CCC[C@H](C3)N4)c(=O)n2c1	160502353	SDEKBODVMMQXIC-BETUJISGSA-N	312.373	0.969	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1nc(Cl)nc(NCC)n1	160532744	YPRPKTFOIYJPLH-MRVPVSSYSA-N	314.777	0.298	70	10	DCIE	
CC(C)[C@H](CCO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O	160684324	UNASMGCAUSYRQV-LBPRGKRZSA-N	319.361	0.213	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ncc(F)cc1F	157255397	YVWABBAGYMPPQQ-UHFFFAOYSA-N	305.711	0.702	70	10	DCIE	
O=C(N1CCC[C@H](S(=O)(=O)F)C1)C12CCCN1CCC2	1968234414	BLGICPGGKFTGTH-NSHDSACASA-N	304.387	0.905	70	10	DCIE	
O=C(CN1CSCC1=O)Nc1ccccc1S(=O)(=O)F	701150859	XQWMXVHOFZHRCC-UHFFFAOYSA-N	318.351	0.816	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)C[C@H]2CC[C@@H](F)C2)C1	2078988144	DDCFTDYBFNDYNR-JGVFFNPUSA-N	303.352	0.438	70	10	DCIE	
C[C@@H]1CCC[C@H]1CS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2268804708	DPSBGXBLWYLKKC-BDAKNGLRSA-N	314.404	0.241	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)Cc2ncn(C)n2)n1	2280638993	NAEXDEJIOVXQQO-UHFFFAOYSA-N	300.073	0.910	70	10	DCIE	
O=S(=O)(Cl)CCOCCOC[C@H]1CCc2nccn21	2351878862	VWLHIAYWKPITEO-SNVBAGLBSA-N	308.787	0.972	70	10	DCIE	
CNC(=O)[C@@H]1CNCCN1S(=O)(=O)/C=C\c1ccccc1	216755999	JVDAGCJQALBUQR-SZNGSJQDSA-N	309.391	0.007	70	10	DCIE	
COc1ccc(CCNC(=O)N2CCN(CCO)CC2)cc1	217512177	MXENBXHUXLOJPC-UHFFFAOYSA-N	307.394	0.557	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ncoc1C(F)F	2164433396	DRGMODNOBVGKCQ-UHFFFAOYSA-N	313.257	0.488	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CCC[C@H](F)C2)[nH]1	1923174036	MSPPQSAMVJPOBE-SFYZADRCSA-N	307.322	0.967	70	10	DCIE	
Cc1cc(C[C@H](C)NC(=O)CC2(CS(C)(=O)=O)CC2)n[nH]1	161308108	VPPATJJETXFBSM-JTQLQIEISA-N	313.423	0.980	70	10	DCIE	
COc1ncccc1C(=O)N1CCC[C@@H](S(=O)(=O)F)C1	1968228432	YFKUIHXENJSKRY-SECBINFHSA-N	302.327	0.994	70	10	DCIE	
O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](S(=O)(=O)F)C1	2144733888	VABKARBAFFFPHV-VIFPVBQESA-N	303.311	0.541	70	10	DCIE	
O=C(c1csc2cncn12)N1CCN(S(=O)(=O)F)CC1	1974001254	PYLCUSNLPKFYBV-UHFFFAOYSA-N	318.355	0.368	70	10	DCIE	
COCCn1c([C@H]2C[C@@H](C)CO2)nnc1S(=O)(=O)Cl	718561103	VOBNUPSAUROQIM-HTQZYQBOSA-N	309.775	0.950	70	10	DCIE	
O=C(c1ccc(F)cc1O)N1CCN(S(=O)(=O)F)CC1	2163655985	BQCBQETXJZDQQD-UHFFFAOYSA-N	306.290	0.503	70	10	DCIE	
C[C@@H](CCCN1CC[C@@H](S(C)(=O)=O)C1)S(=O)(=O)Cl	2059345523	YBYYPNNVZCREJH-VHSXEESVSA-N	317.860	0.843	70	10	DCIE	
COC[C@@H](CC(C)C)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287073965	ZWIMLMLRBYVSPG-MNOVXSKESA-N	310.391	0.700	70	10	DCIE	
CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@@H](S(=O)(=O)Cl)C1	703841093	QOEYWSHUEZOFAK-BQBZGAKWSA-N	313.759	0.875	70	10	DCIE	
C#CCCNC/C=C/CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1274368451	LJZURKMKFRMUQM-SNAWJCMRSA-N	313.354	0.572	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)C2CC(C(F)F)C2)C1	2134975265	OLYVZTOVYOIKMJ-UHFFFAOYSA-N	321.342	0.591	70	10	DCIE	
C=CCNCCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1483493060	RREVQZPBSAABSR-UHFFFAOYSA-N	303.359	0.911	70	10	DCIE	
O=S(=O)(C(F)F)C1CN(c2ncccc2[B-](F)(F)F)C1	2141738064	CWXREOFSSXOJRB-UHFFFAOYSA-N	315.052	0.962	70	10	DCIE	
O=C(CCOC1CCC1)NC1CCN(S(=O)(=O)F)CC1	2169023761	NHACWMFSQDYTGQ-UHFFFAOYSA-N	308.375	0.741	70	10	DCIE	
O=C([C@H]1C[C@@]12CCCOC2)N1CCN(S(=O)(=O)F)CC1	2198140401	FEIVXXKJQIKGCA-ZYHUDNBSSA-N	306.359	0.162	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nccc2ccncc12	2093983929	KFHQKMKDAGCTBV-UHFFFAOYSA-N	320.779	0.972	70	10	DCIE	
Nc1cccc(Cl)c1C(=O)NC1CN(S(=O)(=O)F)C1	2271350472	CQTQBQKSTPZIHY-UHFFFAOYSA-N	307.734	0.551	70	10	DCIE	
COC[C@H](Cn1cc(S(=O)(=O)Cl)c(O)nc1=O)C(C)C	721795745	ZAFQYGAIKWKZDX-QMMMGPOBSA-N	324.786	0.795	70	10	DCIE	
COC[C@H]1CCN(C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	115806713	DDQIJJIVDZJPDR-QMMMGPOBSA-N	321.786	0.754	70	10	DCIE	
CN1C[C@@H](NS(=O)(=O)c2ccc3c(c2)CCO3)CCC1=O	160070665	GDTCVPIFMBODPZ-NSHDSACASA-N	310.375	0.521	70	10	DCIE	
COCCNC[C@H]1CCc2nc(CS(C)(=O)=O)ncc2C1	160076051	QBSXGLUQKWWSNI-NSHDSACASA-N	313.423	0.362	70	10	DCIE	
Cc1cc(=O)c(C(=O)NC2(CO)CC2)nn1-c1ccccc1F	160345168	KAOLLLWRVFOZRE-UHFFFAOYSA-N	317.320	0.935	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)NC[C@@H](C1CC1)N(C)C	160663947	ITQVLNWVAKZNMB-LBPRGKRZSA-N	308.382	0.940	70	10	DCIE	
O=C1CCC(=O)N1CCN1CC[C@@H](CNc2ccccn2)C1	160906131	HWHCXKWHSWOFJK-ZDUSSCGKSA-N	302.378	0.964	70	10	DCIE	
CC[C@@](C)(C(=O)N1CCOC[C@H]1C(=O)NC1CC1)C(N)=S	159780666	PTLXBOHFOHDJKA-IINYFYTJSA-N	313.423	0.195	70	10	DCIE	
O=C(N1CC[C@@H](S(=O)(=O)F)C1)C(F)(F)C1CCOCC1	1968236340	VHSMVYFANHLGKU-SECBINFHSA-N	315.313	0.949	70	10	DCIE	
CCCc1nc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)n[nH]1	2144733990	VZKYIWOTVXOKCS-QMMMGPOBSA-N	304.347	0.661	70	10	DCIE	
O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H](S(=O)(=O)F)C1	1973297543	HYYYTEOXKPMEDU-QMMMGPOBSA-N	303.271	0.504	70	10	DCIE	
O=C([C@@H]1CC[C@@H]2[C@H]1C2(F)F)N1CCN(S(=O)(=O)F)CC1	1974014140	FNUADODDFSPWQD-HLTSFMKQSA-N	312.313	0.636	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)NC2CCC2)C1	2028770765	GBECYOVYARUYNU-VIFPVBQESA-N	300.377	0.137	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CC[C@H]1CCNC1=O	395880691	CAQCNWAFQDEIHJ-MRVPVSSYSA-N	305.787	0.899	70	10	DCIE	
Cc1cc(S(=O)(=O)F)c(C)cc1OCC(=O)NC(N)=O	2191421232	GOEGVFJBCYMIAH-UHFFFAOYSA-N	304.299	0.535	70	10	DCIE	
CC(C)n1c(-c2cc(O)ncn2)nnc1S(=O)(=O)Cl	2109506885	MDQIPXRHYLFUDM-UHFFFAOYSA-N	303.731	0.949	70	10	DCIE	
O=S1(=O)CC[C@@H](COc2ccc([B-](F)(F)F)c(F)c2)N1	2089980436	SZXZBKPXYSIRNL-ZETCQYMHSA-N	312.073	0.951	70	10	DCIE	
CN1CCN(CCOCCCCCS(=O)(=O)Cl)CC1	2278828494	FJYJEBJFCQIZMF-UHFFFAOYSA-N	312.863	0.989	70	10	DCIE	
O=C(c1cncc(N2CC[C@@H](CO)[C@H](O)C2)n1)N1CCCCC1	216781133	LTESJGIGBDDLQW-GXTWGEPZSA-N	320.393	0.282	70	10	DCIE	
Cc1cc(C#N)cc(S(=O)(=O)CCS(=O)(=O)Cl)n1	157691694	XDHWAPLGBAOJFW-UHFFFAOYSA-N	308.768	0.604	70	10	DCIE	
Cc1nn(CCN2CCN(C)CC2)c(C)c1S(=O)(=O)Cl	215733886	RAVPLUJEMMPYBV-UHFFFAOYSA-N	320.846	0.675	70	10	DCIE	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCCn2nncc2C1	894245264	SLIUGEBWUFACDV-UHFFFAOYSA-N	324.337	0.982	70	10	DCIE	
CN1CCC(n2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)CC1	697564259	UOJWKQDWZHSVQK-UHFFFAOYSA-N	308.747	0.986	70	10	DCIE	
CS(=O)(=O)N[C@H]1CCN(c2ccncc2[B-](F)(F)F)C1	2116150560	SCJGCFDCYLJWSF-QMMMGPOBSA-N	308.114	0.264	70	10	DCIE	
COCCN(C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1275659261	QFGUJECLVLXWDV-SECBINFHSA-N	321.374	0.369	70	10	DCIE	
CNS(=O)(=O)c1ccc(N)c(N(C)CC2(O)CCCC2)c1	161083062	CFMYIOJEHAGQFC-UHFFFAOYSA-N	313.423	0.918	70	10	DCIE	
C[C@@H](NC(=O)Nc1cnn(CCN(C)C)c1)[C@H]1CN(C)CCO1	160238620	MUSSECHFTQSRCT-TZMCWYRMSA-N	324.429	0.285	70	10	DCIE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)N1CC(S(=O)(=O)F)C1	1877622522	YPKSIRREOWYANA-RKDXNWHRSA-N	322.358	0.410	70	10	DCIE	
CCN(CCCS(=O)(=O)Cl)[C@H](C)CS(C)(=O)=O	2003932527	GDJVBQWTAFQLKX-SECBINFHSA-N	305.849	0.700	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@H]2[C@H]1C2(F)F	1974055650	UJPXGXCICATUNR-VGMNWLOBSA-N	312.313	0.540	70	10	DCIE	
COC(=O)Cn1ncc(NC[C@@H](N)C2CC2)c(Cl)c1=O	159865283	IZGSIBZRLCYYPN-MRVPVSSYSA-N	300.746	0.219	70	10	DCIE	
CO[C@H]1CN(c2nc(C)nc(C)c2[B-](F)(F)F)C[C@@H]1OC	2172765154	NGEZPUGYEOILMS-UWVGGRQHSA-N	304.101	0.998	70	10	DCIE	
O=S1(=O)CC[C@@H](CCn2cnc(S(=O)(=O)Cl)c2)C1	694593337	YUGBOTGDGIGXRK-MRVPVSSYSA-N	312.800	0.635	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@H]1C(F)(F)F	2271497438	ICNPTOWGJHEDQN-DSYKOEDSSA-N	304.265	0.590	70	10	DCIE	
O=C(C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12)N1CCN(S(=O)(=O)F)CC1	2163657041	VOIADWGCZMPMCO-UKKRHICBSA-N	302.371	0.637	70	10	DCIE	
CN(C)[C@H]1C[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1123820751	WSXHJGZSSWNUNP-DTORHVGOSA-N	303.359	0.743	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1Cc1nncn1C	215696494	PJGOVXAFMSVMQU-UHFFFAOYSA-N	303.775	0.940	70	10	DCIE	
CC#CCNCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1568679431	NHKMLPCCHNGUDK-SNVBAGLBSA-N	315.370	0.794	70	10	DCIE	
Cc1cc(S(=O)(=O)NCCNC(=O)N(C)C)cc(N)c1F	160692362	OBUSDVAXIFIKDG-UHFFFAOYSA-N	318.374	0.266	70	10	DCIE	
COC1(C(=O)C[C@@H]2CCCN(S(C)(=O)=O)C2)CCOCC1	160881172	IQPOGQIJEOBDFJ-LBPRGKRZSA-N	319.423	0.813	70	10	DCIE	
CCCNc1nnc(C(=O)N(C)CCS(C)(=O)=O)s1	160390970	YHMBIWRGWKPDNZ-UHFFFAOYSA-N	306.413	0.477	70	10	DCIE	
CN1CCOC[C@H]1c1nnc(S(=O)(=O)Cl)n1C(C)(C)C	2155748510	JZJWGHOUWPUZQQ-QMMMGPOBSA-N	322.818	0.964	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CO[C@@H](C)C2)c1S(=O)(=O)Cl	401456153	HUDPCKHWSWWGAG-FSPLSTOPSA-N	307.759	0.553	70	10	DCIE	
C[C@H]1[C@H](C)S(=O)(=O)CCN1CCCCS(=O)(=O)Cl	2050971159	XEDLEOUFYYVQTM-UWVGGRQHSA-N	317.860	0.843	70	10	DCIE	
Cc1cncc(S(=O)(=O)N2CC(CCS(=O)(=O)F)C2)c1	2199694308	AMMDEIOIBCRKDQ-UHFFFAOYSA-N	322.383	0.700	70	10	DCIE	
Cn1c([C@@H]2CCc3nccn3C2)nnc1S(=O)(=O)Cl	2103643880	MRWBCLQYFNXIAS-SSDOTTSWSA-N	301.759	0.669	70	10	DCIE	
CCOC1(c2nnc(S(=O)(=O)Cl)n2CCOC)CC1	2110260572	YESYPNPSAPMUHL-UHFFFAOYSA-N	309.775	0.878	70	10	DCIE	
O=S1(=O)CC[C@@H](COc2cc([B-](F)(F)F)ccc2F)N1	2089978733	BRWQFJRZDJXGMA-QMMMGPOBSA-N	312.073	0.951	70	10	DCIE	
Cn1c(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cnc1Cl	2271488655	NZLYOYNYUADZLW-ZCFIWIBFSA-N	310.738	0.092	70	10	DCIE	
C[C@@H](CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)C1CC1	2271516558	OABMGKNKHIBMNY-WCBMZHEXSA-N	314.404	0.241	70	10	DCIE	
O=C(NC[C@@H](O)Cn1ccccc1=O)c1cnc2ccccc2n1	218428417	CHAPNRVDNHDHLP-GFCCVEGCSA-N	324.340	0.582	70	10	DCIE	
CN(C1CCC1)S(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2166521309	IIYUBOLRGZBXFA-UHFFFAOYSA-N	323.371	0.881	70	10	DCIE	
C[C@@H](C(=O)NCC1CN(S(=O)(=O)F)C1)[C@H]1CCCCO1	2164434974	FXHNKCGJWSAEPQ-MWLCHTKSSA-N	308.375	0.454	70	10	DCIE	
Cn1cc([N+](=O)[O-])c(-c2nnc(S(=O)(=O)Cl)n2C)n1	2129976534	DAKXSUXWBZMZST-UHFFFAOYSA-N	306.691	0.051	70	10	DCIE	
CCCc1c(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)nnn1C	1923533192	JTPOCEIHKRKQTD-MRVPVSSYSA-N	304.347	0.281	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc3c(c2)NCC3)CCOC1	160678619	BFARYHYIKHBQQI-CQSZACIVSA-N	312.391	0.738	70	10	DCIE	
C[C@H](N[C@H](C)C(=O)NC(N)=O)c1ccc(-n2ccnn2)cc1	159952117	CKCNIAPXLUJRCY-VHSXEESVSA-N	302.338	0.501	70	10	DCIE	
CC1(C)CN(C(=O)CCN2CCCC2=O)CCS1(=O)=O	159956607	UVNDKXVONNPDTM-UHFFFAOYSA-N	302.396	0.035	70	10	DCIE	
Cn1ncc(S(=O)(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)n1	1879788064	KRSKZZFJKMFKHQ-IONNQARKSA-N	309.102	0.817	70	10	DCIE	
COc1ccccc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001742	ZYYJUNBXXACONO-UHFFFAOYSA-N	302.327	0.667	70	10	DCIE	
CCS(=O)(=O)[C@@H]1CSCCN1Cc1nc(C)cc(N)n1	159847173	CJLSRRZRONSSLT-GFCCVEGCSA-N	316.452	0.677	70	10	DCIE	
COc1nc(N(C)Cc2cnn(C)c2)ncc1[B-](F)(F)F	2172764609	FXGZVYBYZJWCNF-UHFFFAOYSA-N	300.073	0.910	70	10	DCIE	
CCn1nnnc1CN(C)c1ncnc(C)c1[B-](F)(F)F	2196303833	KIROJCRCRDMHIG-UHFFFAOYSA-N	300.077	0.482	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1CC1[C@@H]2COC[C@@H]12	2188905236	RYEHZQFKLWKADE-YUMQZZPRSA-N	321.742	0.920	70	10	DCIE	
O=S(=O)(Cl)c1cccc(S(=O)(=O)NC2COC2)c1	2046683593	QEFUAVXVQCQNES-UHFFFAOYSA-N	311.768	0.291	70	10	DCIE	
CN1CCO[C@H]2CCN(c3ncncc3[B-](F)(F)F)C[C@H]21	2185495573	FCPUQPCYFGSRNU-MNOVXSKESA-N	301.101	0.440	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	2287074670	IKIYSTCDKJKDDR-FBDQPXRJSA-N	302.371	0.683	70	10	DCIE	
C[S@@](=O)CCNC(=O)c1ccc(S(=O)(=O)Cl)cc1	135261075	WZEQKPHSIHKRLK-KRWDZBQOSA-N	309.796	0.722	70	10	DCIE	
CS(=O)(=O)CCN(c1ncc([B-](F)(F)F)cn1)C1CC1	2116142074	IDUFIOVNURRGDI-UHFFFAOYSA-N	308.114	0.544	70	10	DCIE	
CSC[C@@](C)(O)CNC(=O)CSc1nncn1C1CC1	217698910	YAMWJMQWRNKUHG-LBPRGKRZSA-N	316.452	0.935	70	10	DCIE	
O=S1(=O)CC[C@@H](COCc2cccc([B-](F)(F)F)c2)N1	2136004206	MAASWGGABVXJMJ-NSHDSACASA-N	308.110	0.949	70	10	DCIE	
COc1cc(C(=O)Nc2ncc(S(=O)(=O)F)s2)nn1C	1530976702	VPZCDQSTSMOOLG-UHFFFAOYSA-N	320.327	0.796	70	10	DCIE	
CCn1cnnc1[C@H]1CCCN(CC(=O)N2CCOCC2)C1	161289832	KBYFKYBWHJBPAL-ZDUSSCGKSA-N	307.398	0.336	70	10	DCIE	
O=C(Nc1ccc(-n2nccn2)cc1)N[C@@H]1CCc2ncnn2C1	160967110	LCNQUBFQSQPODH-GFCCVEGCSA-N	324.348	0.995	70	10	DCIE	
C[C@@H]1OCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	157069179	KLFOTQRDHGXMKH-CBAPKCEASA-N	306.771	0.860	70	10	DCIE	
CN(CCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1)C1CC1	1879306473	XZMFXFKODKVHTP-UHFFFAOYSA-N	308.747	0.813	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)CCc2ccccn2)C1	2144733792	UCIRCNAJVZOZEM-NSHDSACASA-N	322.383	0.328	70	10	DCIE	
CO[C@H]1C[C@@H](C(=O)N2CC[C@@H](S(=O)(=O)F)C2)C[C@H]1OC	1973295762	ALFNRVXFDMXQIF-CHWFTXMASA-N	309.359	0.327	70	10	DCIE	
O=S(=O)(Cl)c1nnc(-c2c[nH]nn2)n1-c1ccccc1	158051835	KRYNEAHNBBZDCL-UHFFFAOYSA-N	310.726	0.980	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(CCCO)C(C)C)cc1N	159599346	UDPUHICSXLADPM-UHFFFAOYSA-N	301.412	0.774	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1ncnc(Cl)c1OC	160259858	BNYNFYKNOIGKFV-QMMMGPOBSA-N	300.746	0.480	70	10	DCIE	
Cc1ccnc(N2C[C@H]3[C@@H](C2)OCCN3C)c1[B-](F)(F)F	2172783297	CNDNNOLQXXLIBZ-WDEREUQCSA-N	300.113	0.964	70	10	DCIE	
CC(C)CO[C@@H](C)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2165525623	MGCAPBRBEXZOKN-QMMMGPOBSA-N	307.347	0.500	70	10	DCIE	
CO[C@H]1CS(=O)(=O)C[C@H]1Oc1ccc(S(=O)(=O)F)cc1	2191430434	CFLJHQADRFFCDE-WDEREUQCSA-N	324.351	0.536	70	10	DCIE	
CO[C@H]1COC[C@@H]1n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	2090561835	AZIROEQOHUIRRW-WDSKDSINSA-N	311.703	0.305	70	10	DCIE	
COCC12CC(C(=O)N3CC[C@H](S(=O)(=O)F)C3)(CO1)C2	2206051342	ZMTGCYCXXOCHFR-GCVQQVDUSA-N	307.343	0.082	70	10	DCIE	
O=S(=O)(NC1CN(S(=O)(=O)F)C1)c1ccc(Cl)o1	2256727098	QOEXWQINKAQWBC-UHFFFAOYSA-N	318.735	0.110	70	10	DCIE	
Cc1ncnc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c1[B-](F)(F)F	2336403845	BXAWUZSVBLXSDO-HTQZYQBOSA-N	306.098	0.073	70	10	DCIE	
C#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1	1963996935	VMVRFDYGJMGQPL-UHFFFAOYSA-N	303.336	0.789	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(N)cc(Cl)c1F	218151651	VRHXANOYDQTLQU-UHFFFAOYSA-N	323.777	0.818	70	10	DCIE	
COc1cc(C(=O)Nc2nnn(C)n2)ccc1S(=O)(=O)F	1435507099	OFHXXHMAVFPSJF-UHFFFAOYSA-N	315.286	0.129	70	10	DCIE	
Cc1nc(Cl)cc(C(=O)N2CC(CS(=O)(=O)F)C2)n1	2134971908	VQMDXEOCIDZICN-UHFFFAOYSA-N	307.734	0.810	70	10	DCIE	
CC[C@@H](NC(=O)c1ccc(S(=O)(=O)F)c(OC)c1)C(N)=O	1534086735	IYXRIRSRMGSGFZ-MRVPVSSYSA-N	318.326	0.347	70	10	DCIE	
CC(C)NC(=S)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1538851663	YFFSRDRFKUDYQI-UHFFFAOYSA-N	308.360	0.190	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)C[C@@H]2CCCCO2)n1	1923178972	VSOSUCGCOXIMRC-QMMMGPOBSA-N	305.331	0.976	70	10	DCIE	
CCCNc1ncc(S(=O)(=O)N2CCC(C)(O)CC2)cn1	160896996	GQHASGYNGPACKD-UHFFFAOYSA-N	314.411	0.834	70	10	DCIE	
C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](S(=O)(=O)F)C1	1885610190	JKYFWBMVELJURH-DTWKUNHWSA-N	324.374	0.800	70	10	DCIE	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](S(=O)(=O)F)C1	1885610189	JKYFWBMVELJURH-BDAKNGLRSA-N	324.374	0.800	70	10	DCIE	
CC1(C(=O)N2CCN(S(=O)(=O)F)CC2)CC(F)(F)C1	1974015877	YVCYPSCWMSRLLM-UHFFFAOYSA-N	300.302	0.780	70	10	DCIE	
COc1ccccc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974060971	ZIKUYIUYCPMNDA-UHFFFAOYSA-N	302.327	0.571	70	10	DCIE	
O=C([C@@H]1CN2CCC1CC2)N1CCC[C@@H](S(=O)(=O)F)C1	2150808533	QOCLLAILXSGRCM-VXGBXAGGSA-N	304.387	0.619	70	10	DCIE	
CN1CCOC[C@@H]1C(=O)Nc1ccccc1S(=O)(=O)F	2155748624	LFBGUMRIBCUCKW-SNVBAGLBSA-N	302.327	0.614	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1C[C@H]2CS(=O)(=O)C[C@@H]2C1	2172777967	JPUHMJLQCVVQDM-UWVGGRQHSA-N	319.137	0.925	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC[C@H]1COCCO1	2182342856	JAZDCAKJXUDTQO-VIFPVBQESA-N	324.786	0.763	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)CC[C@@H]2CCO2)c1S(=O)(=O)Cl	2296044076	DWURHKKUBWZTEB-MRVPVSSYSA-N	321.786	0.897	70	10	DCIE	
C[C@H](Oc1ccccc1)C(=O)NC[C@@H](O)Cn1ccccc1=O	218414866	SRQTZHOHCVHUIB-UONOGXRCSA-N	316.357	0.793	70	10	DCIE	
CCOC(=O)CCNC(=O)NCCNC(=O)OC(C)(C)C	217263859	XOKIYDOQNQODAE-UHFFFAOYSA-N	303.359	0.764	70	10	DCIE	
NC(=O)NCCNCc1cccc(NC(=O)C(F)(F)F)c1	160840862	OCWVXVXESHXKBY-UHFFFAOYSA-N	304.272	0.945	70	10	DCIE	
CN=[S@](C)(=O)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1149042952	KCAFCKDCUKNLGU-GOSISDBHSA-N	311.360	0.130	70	10	DCIE	
CS(=O)(=O)[C@@H]1CCCN(CCCCS(=O)(=O)Cl)C1	689061385	BZFHIEYGEFNQMY-SNVBAGLBSA-N	317.860	0.844	70	10	DCIE	
CN(C)CCCNS(=O)(=O)c1cc(CN)n(C2CC2)c1	217476305	HMQKRVGNBVIGLP-UHFFFAOYSA-N	300.428	0.512	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nccn2cncc12	2256809068	HPUMHQVFXODMCJ-UHFFFAOYSA-N	309.756	0.072	70	10	DCIE	
CCNS(=O)(=O)c1ccc(C)c(C(=O)NC2(CO)CC2)c1	160226247	RJQLOOQEJUZBAN-UHFFFAOYSA-N	312.391	0.548	70	10	DCIE	
C[C@](O)(Cc1ccc(F)cc1)[C@@]1(CN)CCS(=O)(=O)C1	159424219	UMLLBUWIRUZXON-UONOGXRCSA-N	301.383	0.883	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1[C@@H]2CCOC[C@@H]21	2150094786	RDDCXYLYAZIUML-RNJXMRFFSA-N	320.754	0.159	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2COC(C)(C)C2)[nH]1	2159348554	DDVVVHFPYHEJMW-SSDOTTSWSA-N	305.331	0.254	70	10	DCIE	
C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CO1	401466449	MDUHDEOSIFBQFS-DTWKUNHWSA-N	323.367	0.801	70	10	DCIE	
Cc1cccc(S(=O)(=O)NCCS(=O)(=O)Cl)c1F	313226551	YQBUSOJFQCHVIB-UHFFFAOYSA-N	315.775	0.981	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NCCOCCF	702654125	GFHLXSKDAKPPPX-UHFFFAOYSA-N	312.750	0.669	70	10	DCIE	
COCCn1c(Cc2cnn(C)c2)nnc1S(=O)(=O)Cl	695562751	MNIGTZLYFWUCEC-UHFFFAOYSA-N	319.774	0.176	70	10	DCIE	
CCc1nn(C)cc1C(=O)N1CC(CCS(=O)(=O)F)C1	2199697410	KNTCRABDCHDAQK-UHFFFAOYSA-N	303.359	0.744	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2C[C@H]3C[C@H]2CS3(=O)=O)n1	2280489260	URTACEMMPOISIN-JGVFFNPUSA-N	321.109	0.520	70	10	DCIE	
CS(=O)(=O)N1CCC[C@@H](Oc2ccncc2[B-](F)(F)F)C1	2285596289	ZTONANUVRRWMPY-SECBINFHSA-N	323.125	0.939	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cccc(F)c1F	2287076478	SOMZFVBUNZTRFA-ZETCQYMHSA-N	308.281	0.983	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H](O)c1ccccc1	2287069657	NEWKZCAKZWJUHF-QWRGUYRKSA-N	302.327	0.125	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C(F)(F)C12CCC2	2287066371	WEGSZNJAPNFGGE-SFYZADRCSA-N	312.313	0.827	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21	2359646845	FFVYFDJYTCYDCG-XWLWVQCSSA-N	306.359	0.206	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1[C@H]2CCC(F)(F)[C@H]21	2359647882	WEOGNECQVREGHB-JQCXWYLXSA-N	312.313	0.683	70	10	DCIE	
O=C(NNC(=O)c1ncccn1)c1cccc(S(=O)(=O)F)c1	1130013293	GNYFHXTWDVQAHV-UHFFFAOYSA-N	324.293	0.210	70	10	DCIE	
O=C1C[C@H](Cn2cc(S(=O)(=O)Cl)nc2C2CC2)CN1	704237180	GGFPFECBLIQSMY-ZETCQYMHSA-N	303.771	0.824	70	10	DCIE	
CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCCS(C)(=O)=O	160291188	NEALAPLKMWDALP-WDMOLILDSA-N	318.439	0.070	70	10	DCIE	
C[C@H](Oc1cccc(CO)c1)C(=O)N1CCO[C@@H](CN(C)C)C1	160448582	CHQJPDUFRHHQGL-BBRMVZONSA-N	322.405	0.735	70	10	DCIE	
CC1(C)[C@@H]2OCC[C@H]2[C@]1(N)C(=O)NCC(C)(C)S(C)(=O)=O	160664867	USJRTFVTCNVKNE-RULNRJAQSA-N	318.439	0.068	70	10	DCIE	
Cn1cc(CNC(=O)N2CC[C@H](CO)C2)c(C(F)(F)F)n1	160847535	JCHXEWNXUVHFMR-QMMMGPOBSA-N	306.288	0.963	70	10	DCIE	
C[C@@H]1C(=O)NCCN1C(=O)NCc1cn(C)nc1C(F)(F)F	160859752	WFKOUJJCHSVEED-SSDOTTSWSA-N	319.287	0.469	70	10	DCIE	
CCN(c1cnn(CC(=O)OC)c(=O)c1Cl)[C@@H]1CCNC1	159383119	LXJFQNUIOFKRHD-SECBINFHSA-N	314.773	0.258	70	10	DCIE	
O=C([C@@H]1CCc2nc[nH]c2C1)N1CC[C@@H](S(=O)(=O)F)C1	2144731958	AAMKIMLQGOTQOG-RKDXNWHRSA-N	301.343	0.415	70	10	DCIE	
O=C(c1ccc(Br)nc1)N1CC(S(=O)(=O)F)C1	1968216364	XOFJXQCUGJNXJT-UHFFFAOYSA-N	323.143	0.968	70	10	DCIE	
COCC(COC)n1nc(C)c(C#N)c1S(=O)(=O)Cl	700608028	ZOSIRWVCCNQGCP-UHFFFAOYSA-N	307.759	0.825	70	10	DCIE	
Cc1[nH]nc(C(=O)N2C[C@H]3COC[C@@H]3C2)c1S(=O)(=O)Cl	718191796	FGQHWDDKESQKIV-YUMQZZPRSA-N	319.770	0.364	70	10	DCIE	
COc1nn(CC2[C@H]3COC[C@H]23)c(OC)c1S(=O)(=O)Cl	2188904846	NHDDSXGXNFMLJU-HTQZYQBOSA-N	322.770	0.720	70	10	DCIE	
CCn1nnc(CN(C)c2ncc(F)cc2[B-](F)(F)F)n1	2197857279	LWTRDQRCGKFFNR-UHFFFAOYSA-N	303.052	0.918	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@@]12CC[C@@H](C1)C(=O)N2	2089621493	HVZLBJXQOHCBIB-GZMMTYOYSA-N	303.771	0.788	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)[C@@H]1CC[C@H](S(C)(=O)=O)C1	2314938300	NAMRKSHICBNHRM-ZJUUUORDSA-N	317.860	0.843	70	10	DCIE	
CC[C@H](O)c1cccc(S(=O)(=O)N(C)C[C@@H](O)COC)c1	218041023	ZOLAVISVMLVRQZ-OCCSQVGLSA-N	317.407	0.758	70	10	DCIE	
CNC(=O)COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl	215631937	ZNVVTUOQJRHFLB-UHFFFAOYSA-N	308.699	0.647	70	10	DCIE	
Cn1c([C@H]2CCCc3nccn32)nnc1S(=O)(=O)Cl	2129533081	YJEXEDQLPNJAHA-SSDOTTSWSA-N	301.759	0.865	70	10	DCIE	
C#CCN[C@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1275491846	KBHSFACHSNYQRM-BDAKNGLRSA-N	301.343	0.403	70	10	DCIE	
CCC(=O)c1ccc(OC[C@H](O)CO)c(S(=O)(=O)Cl)c1	260999772	GLKMOURLXBGTML-SECBINFHSA-N	322.766	0.939	70	10	DCIE	
O=C(N[C@@H]1CCc2ncnn2C1)N1CC[C@@H](N2CCCC2)C1	161128814	LOVIYHCCRPNTHE-CHWSQXEVSA-N	304.398	0.473	70	10	DCIE	
CN(C)C[C@@](C)(O)CNC(=O)c1cc(S(C)(=O)=O)cs1	160101689	VZXIOAMYIRNVFY-LBPRGKRZSA-N	320.436	0.194	70	10	DCIE	
CCCCOCCOC[C@@H](O)CNC[C@@]1(OC)CCOC1	160276509	WLEDRUGQGBDDLL-GJZGRUSLSA-N	305.415	0.576	70	10	DCIE	
CN(Cc1cccn1C)C(=O)Cn1cnc2c(cnn2C)c1=O	160613855	HNVAOQGRWVITLV-UHFFFAOYSA-N	314.349	0.127	70	10	DCIE	
CS(=O)(=O)Cc1nc2ccccc2n1CCS(=O)(=O)F	883952993	DBPDPSCQVYDDRN-UHFFFAOYSA-N	320.367	0.880	70	10	DCIE	
O=C(CCOCC(F)F)N1CCC[C@H](S(=O)(=O)F)C1	1968235123	IOQRMXBFQZFWQE-QMMMGPOBSA-N	303.302	0.949	70	10	DCIE	
N#Cc1cncc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)c1	2144733774	TYTQOMMMTJXKMB-SECBINFHSA-N	319.339	0.016	70	10	DCIE	
CC(C)O[C@H]1CS(=O)(=O)C[C@H]1C1(S(=O)(=O)Cl)CC1	711274261	HOXNQZFVVSDKKU-BDAKNGLRSA-N	316.828	0.926	70	10	DCIE	
CS(=O)(=O)N1CCN(c2nc([B-](F)(F)F)cs2)CC1	2052597651	KMSQQVONFRRLGF-UHFFFAOYSA-N	314.143	0.279	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1[C@H]2CCC(F)(F)[C@H]21	2287073556	WEOGNECQVREGHB-FNCVBFRFSA-N	312.313	0.683	70	10	DCIE	
C[C@]12C[C@H](C1)[C@H](C(=O)N1CCN(S(=O)(=O)F)CC1)CO2	2362909639	ANDFNWSPZYFIAW-FOGDFJRCSA-N	306.359	0.160	70	10	DCIE	
CCc1nnc(S(=O)(=O)CCS(=O)(=O)Cl)s1	1936692476	SDLTYWGLCRABLJ-UHFFFAOYSA-N	304.802	0.443	70	10	DCIE	
CC(C)C(=O)N(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1355923086	VPYHJEIUOJAHDU-UHFFFAOYSA-N	319.358	0.517	70	10	DCIE	
N#Cc1cc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)ccn1	1634631049	JUGFQIFQVXZZET-UHFFFAOYSA-N	308.294	0.870	70	10	DCIE	
Cc1ccc(S(=O)(=O)NCCC(=O)NC2(CO)CC2)cc1	160316517	SQVNQNSRGQBWSH-UHFFFAOYSA-N	312.391	0.305	70	10	DCIE	
Nc1cc(F)c(F)c(S(=O)(=O)NCCNC(=O)C2CC2)c1	160646696	IULINPHWDGUNBB-UHFFFAOYSA-N	319.333	0.352	70	10	DCIE	
CC[C@H](N)[C@@H](N1CCOC[C@@H]1C(=O)NC1CC1)C(F)(F)F	159414295	AYCISNMXIPBEKO-HBNTYKKESA-N	309.332	0.634	70	10	DCIE	
CC(C)n1ncc(N(C)CCN2CCNCC2)c(Cl)c1=O	159373302	GBDHQARTLYZKAZ-UHFFFAOYSA-N	313.833	0.819	70	10	DCIE	
O=C([C@H]1COCCC1(F)F)N1CCC[C@H](S(=O)(=O)F)C1	1973212428	HSWWFUKDWXQSCE-DTWKUNHWSA-N	315.313	0.949	70	10	DCIE	
O=C([C@H]1CC12CCOCC2)N1CCN(S(=O)(=O)F)CC1	1974014263	GUUOSVZAVXWIIL-SNVBAGLBSA-N	306.359	0.162	70	10	DCIE	
CC[C@@H](N)c1cccc(S(=O)(=O)NCCNC(N)=O)c1	160939478	RWXXZUNLLUAZSJ-LLVKDONJSA-N	300.384	0.043	70	10	DCIE	
Cc1cnc(Cl)c(C(=O)NC2CN(S(=O)(=O)F)C2)c1	2268807760	RQVIURYZPMCVCR-UHFFFAOYSA-N	307.734	0.672	70	10	DCIE	
Cc1ccnc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1C	2287077253	VRAJFEBAOKUVLS-SNVBAGLBSA-N	301.343	0.717	70	10	DCIE	
CCc1nc(C)c(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)o1	2287071399	IMPAIJDSAWGJOA-QMMMGPOBSA-N	305.331	0.564	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@]23COC[C@H](C2)C3)c1S(=O)(=O)Cl	2288689995	BRDHINYJXYTZFV-AGGWVSIMSA-N	319.770	0.554	70	10	DCIE	
CS(=O)(=O)[C@H]1C[C@@H](COc2ncncc2[B-](F)(F)F)C1	2352795963	IBRSIOBKPUVLKQ-OCAPTIKFSA-N	309.098	0.733	70	10	DCIE	
CC(=O)N1CCC(C(=O)N2CC(Oc3nccs3)C2)CC1	218781124	NZSGLRJFKVWOEO-UHFFFAOYSA-N	309.391	0.991	70	10	DCIE	
COCCOCCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	135327027	PATHZWGTXQAXNY-UHFFFAOYSA-N	313.719	0.382	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1OCC[C@@H]1F	2122533293	SYSINPNANUIWQO-WDSKDSINSA-N	312.706	0.003	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1Cc1cncn1C	2125954507	VSRWEJRMANIBHD-UHFFFAOYSA-N	304.759	0.739	70	10	DCIE	
CCc1c(-c2nnc(S(=O)(=O)Cl)n2CC)nnn1C	1923533061	HKVDGFRFLXFRQL-UHFFFAOYSA-N	304.763	0.583	70	10	DCIE	
O=C(NCC1(NCCCF)CC1)c1cc(S(=O)(=O)F)c[nH]1	1723560318	BTPHQUCVIBTEDG-UHFFFAOYSA-N	321.349	0.885	70	10	DCIE	
CCCC(=O)NC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1744616751	BYOFTEVGZARONT-QMMMGPOBSA-N	319.358	0.708	70	10	DCIE	
COCCN1CCN(C(=O)C(=O)Nc2ccc(F)nc2)C[C@H]1C	160363322	YOOIGKMLKJRCFP-LLVKDONJSA-N	324.356	0.338	70	10	DCIE	
NC(=O)Nc1cccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)c1	160369572	QXDZUOOOAUPNJR-AWEZNQCLSA-N	318.377	0.770	70	10	DCIE	
CC[C@@H](C)[C@@H](O)CNC(=O)c1cccc(S(N)(=O)=O)c1C	159395440	BDVZOOQKRYHBDB-SKDRFNHKSA-N	314.407	0.779	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1csc(C2CC2)n1	1974059749	ONQQBVALWABDLP-UHFFFAOYSA-N	319.383	0.896	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)CC2CC(F)C2)C1	2031637533	WGODGHKKGBUWBX-AMDVSUOASA-N	303.352	0.438	70	10	DCIE	
O=C(NC1COCCOC1)c1ccc(S(=O)(=O)Cl)cc1	380277869	BBHWLNJYKSKYKU-UHFFFAOYSA-N	319.766	0.759	70	10	DCIE	
O=C(NC[C@H]1[C@@H]2COC[C@H]12)c1cc(S(=O)(=O)Cl)c[nH]1	386016493	VCHVLMJGODTKNS-PSVAKVPMSA-N	304.755	0.564	70	10	DCIE	
CN(c1ncncc1[B-](F)(F)F)[C@@H]1CO[C@@]2(CCOC2)C1	2178997281	WKFFPRBHCHAQSA-CABZTGNLSA-N	302.085	0.915	70	10	DCIE	
C[C@@H](CS(=O)(=O)N1CCN(S(=O)(=O)F)CC1)C1CC1	2107411414	JQEYJRXMNVQIPG-VIFPVBQESA-N	314.404	0.194	70	10	DCIE	
Cc1cccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1N	2287062218	CXRDWPBTYIQEKR-VIFPVBQESA-N	301.343	0.596	70	10	DCIE	
C[C@H](c1ccccc1)N1C[C@@H](NC(=O)N(C)CCO)CC1=O	217284241	BMMYOSZSTSBGPZ-OCCSQVGLSA-N	305.378	0.982	70	10	DCIE	
O=S(=O)(Cl)c1cccc(S(=O)(=O)NCCF)c1	383921827	ZUGSSBOXVJRNCO-UHFFFAOYSA-N	301.748	0.862	70	10	DCIE	
CNC(=O)C1(C(=O)N[C@H]2CCN(c3ccccc3OC)C2)CC1	161165189	RTAQIJOFCWTMFL-LBPRGKRZSA-N	317.389	0.916	70	10	DCIE	
Cc1c(C(=O)N[C@@H](CO)CC(C)C)cccc1S(N)(=O)=O	161262106	QCPBMBRUYWPAGN-LLVKDONJSA-N	314.407	0.779	70	10	DCIE	
CCCNc1snnc1CN1CCOC[C@H]1C(=O)NCC	160373073	HOCQBHPXDJHSOM-NSHDSACASA-N	313.427	0.697	70	10	DCIE	
CCN1CCCN(C(=O)NCc2nnc3ccccn23)CC1	159543794	ZMLSEXSAAHPQRT-UHFFFAOYSA-N	302.382	0.967	70	10	DCIE	
CC(C)(C)n1c(CCn2cncn2)nnc1S(=O)(=O)Cl	2146562852	SAUAFUDLXBGXOZ-UHFFFAOYSA-N	318.790	0.795	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CCCN1CCN(C)CC1	690568288	PYGHPDQQMVRMCX-UHFFFAOYSA-N	320.846	0.757	70	10	DCIE	
O=S1(=O)C[C@@H]2[C@@H](CCN2c2ncc([B-](F)(F)F)cc2F)C1	2172792502	RZEKDZWXLBHLBD-OIBJUYFYSA-N	323.100	0.898	70	10	DCIE	
CN1CCO[C@@H]2CCN(c3ncc([B-](F)(F)F)cn3)C[C@H]21	2185496352	JQMGMMUPMIZQFO-GHMZBOCLSA-N	301.101	0.440	70	10	DCIE	
CC(C)(C)N1C[C@@H](NC(=O)NC(=O)C2CCNCC2)CC1=O	217286097	DGKROFKDFSVZLK-NSHDSACASA-N	310.398	0.211	70	10	DCIE	
C#CCNC(=O)[C@@H](C)n1nc(C)c(S(=O)(=O)Cl)c1C	215843268	DXQLBJLXNKRLSI-SECBINFHSA-N	303.771	0.738	70	10	DCIE	
CO[C@H]1CCN(C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	234841546	MKLBQVGRJUBHTG-ZETCQYMHSA-N	307.759	0.507	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(N)c(C)c(Cl)c1	218149291	JYEXDCAKJQEPJS-UHFFFAOYSA-N	319.814	0.987	70	10	DCIE	
Cc1cc(S(=O)(=O)Cl)n([C@@]2(C)CCS(=O)(=O)C2)n1	203244906	SWWTVQAUDCHLIM-VIFPVBQESA-N	312.800	0.653	70	10	DCIE	
O=C(N[C@@H](CO)c1ccccn1)c1cc(S(=O)(=O)F)c[nH]1	1624998871	RTQGVZLITMHCPV-NSHDSACASA-N	313.310	0.531	70	10	DCIE	
COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1	161050550	CBGGAUQCMCPLJN-LLVKDONJSA-N	314.345	0.787	70	10	DCIE	
Cc1c(C(=O)NC[C@H]2CN(C)CCO2)cnn1C1CCOCC1	161169566	KSAXKUJSZKWQMV-AWEZNQCLSA-N	322.409	0.603	70	10	DCIE	
Cn1cc(N2CCC[C@@H](N3CCN(C4CC4)CC3)C2=O)cn1	159720861	SNMTZZSUERNWLG-OAHLLOKOSA-N	303.410	0.696	70	10	DCIE	
Cc1ccc([C@]2(C)NC(=O)N(CCS(=O)(=O)F)C2=O)o1	883953569	AHVZXILJTHTBCT-NSHDSACASA-N	304.299	0.654	70	10	DCIE	
CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](S(=O)(=O)F)C1	1968234989	HLBQYIZHBCWARO-WDEREUQCSA-N	306.359	0.288	70	10	DCIE	
Cn1nc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)cc1Cl	1968236644	YREDKUMPBWOLHH-ZETCQYMHSA-N	309.750	0.977	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cccc(Cl)n1	1974058854	IMSSHIUIMKGTTA-UHFFFAOYSA-N	307.734	0.611	70	10	DCIE	
C[C@@H]1C[C@@H](CC(=O)Nc2nn(C)cc2S(=O)(=O)F)CO1	2159413928	SPTFFSVDNGZLCI-SFYZADRCSA-N	305.331	0.832	70	10	DCIE	
O=S(=O)(Cl)c1cnn(C[C@@H]2CCCCS2(=O)=O)c1	694491675	AHFKRFIYELLAOO-QMMMGPOBSA-N	312.800	0.778	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2[C@H]3CCCC[C@H]32)[nH]1	2167230096	UZQOOHNMZWITOH-DIYOJNKTSA-N	301.343	0.875	70	10	DCIE	
COc1cnccc1C(=O)N1CC(CCS(=O)(=O)F)C1	2199692998	MJNWKXOIWDARIT-UHFFFAOYSA-N	302.327	0.852	70	10	DCIE	
CC(C)Cn1c(Cn2ccnn2)nnc1S(=O)(=O)Cl	2090273698	KVIBTYXGAPTNQY-UHFFFAOYSA-N	304.763	0.501	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cn1)C1CC(S(C)(=O)=O)C1	2116139568	BELKRJLSDOZXTH-UHFFFAOYSA-N	308.114	0.543	70	10	DCIE	
Cn1cc(CCn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)cn1	230876300	NVFVADWDKARQJR-UHFFFAOYSA-N	319.730	0.695	70	10	DCIE	
O=C(N[C@@]12CCCN(CC1)C2)c1cc(S(=O)(=O)F)c[nH]1	1595647239	XIYMEWGUZWSAJN-LBPRGKRZSA-N	301.343	0.641	70	10	DCIE	
O=C(NC[C@@H](O)c1ccccc1)N[C@H]1CCc2ncnn2C1	161055487	AVHBSOZNYWCMHI-QWHCGFSZSA-N	301.350	0.626	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H]1C(=O)NC	161086470	YOEAYCPJRVYXRX-JTQLQIEISA-N	308.338	0.221	70	10	DCIE	
CC(C)[C@@H](C(=O)NC1CCC(C(=O)NC(N)=O)CC1)N(C)C	160851069	PKEFHLCGUHCMGM-MCIGGMRASA-N	312.414	0.443	70	10	DCIE	
COC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1	160992332	UQBWDLJBVVWBFS-WDEREUQCSA-N	307.354	0.188	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CCO1	166120342	TZCDCROBPWRWQJ-SECBINFHSA-N	323.367	0.754	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NCC(=O)NC(C)(C)C)c1F	159842698	MERPODGJMADPBA-UHFFFAOYSA-N	317.386	0.909	70	10	DCIE	
COC1(C(F)(F)F)CC(C(=O)N2CC(S(=O)(=O)F)C2)C1	1972979704	LPZOLRFISGGRQW-UHFFFAOYSA-N	319.276	0.854	70	10	DCIE	
CN([C@@H]1CCOC1)S(=O)(=O)c1cccc(C(N)=S)c1	159446869	WTEQCBIPRHXGDC-SNVBAGLBSA-N	300.405	0.730	70	10	DCIE	
COCCn1ncc(N2CC[C@H](C)[C@@H](N)C2)c(Cl)c1=O	159487974	FZWWJXOWQBIERN-UWVGGRQHSA-N	300.790	0.717	70	10	DCIE	
Cc1nc(N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)ncc1[B-](F)(F)F	2172758181	MMBSYSAGHJUQJL-IUCAKERBSA-N	322.141	0.851	70	10	DCIE	
Cc1ncnc(N2C[C@H](C)S(=O)(=O)[C@H](C)C2)c1[B-](F)(F)F	2172758259	NISLUDBOPQTJDS-OCAPTIKFSA-N	322.141	0.851	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1C[C@@H]2OCCN(C)[C@H]2C1	2172790469	SXZKOLOKKPYLMI-RYUDHWBXSA-N	300.113	0.964	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CC[C@@H](N3CCOCC3)C2)nc1	2172772499	OPCPQNLIABBYQR-LLVKDONJSA-N	301.101	0.442	70	10	DCIE	
COCCNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)F)cc1	2191427638	DRIOABQDTHVCHC-VIFPVBQESA-N	305.327	0.875	70	10	DCIE	
CCC1(CS(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)COC1	2271537734	XNIFEDGNXPZZMR-VIFPVBQESA-N	315.388	0.116	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1Cc1ncccn1	2125952734	ABDIVVJZIBDQDU-UHFFFAOYSA-N	302.743	0.795	70	10	DCIE	
CC#CCN[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1265827618	TVODNADYVVCHGP-SECBINFHSA-N	301.343	0.404	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)NCCC(=O)N[C@H](C)CC	160225442	AUVXKIFKIIQYQD-SECBINFHSA-N	324.381	0.905	70	10	DCIE	
CC(C)(C)[C@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)C1	159550529	VIQBHDXKJLBXIX-NWDGAFQWSA-N	302.440	0.658	70	10	DCIE	
COCCn1ncc(N2CC[C@@H](N)C[C@H]2C)c(Cl)c1=O	159930809	SODRIHJOQGLZDS-NXEZZACHSA-N	300.790	0.859	70	10	DCIE	
CCCCn1ncc(N2CCO[C@H](CN)C2)c(Cl)c1=O	160063480	HGRXQAQZNUUGPK-SNVBAGLBSA-N	300.790	0.861	70	10	DCIE	
CC(C)NCCn1cc(S(=O)(=O)NC[C@@H]2C[C@@H]2C)cn1	160833253	VDXBXXIIZNUSJW-RYUDHWBXSA-N	300.428	0.815	70	10	DCIE	
O=S(=O)(Cl)CCCN1C[C@@H]2[C@H](CCCS2(=O)=O)C1	2028432833	NZBDSCSKEJJFHZ-NXEZZACHSA-N	315.844	0.454	70	10	DCIE	
O=C([C@@H]1[C@@H]2CCC(F)(F)[C@H]21)N1CCN(S(=O)(=O)F)CC1	2170852841	ADCFPVKDEVPASB-DJLDLDEBSA-N	312.313	0.636	70	10	DCIE	
COc1nc(N(C)Cc2ccnn2C)ncc1[B-](F)(F)F	2172764406	CIACHWLZIWCVBO-UHFFFAOYSA-N	300.073	0.910	70	10	DCIE	
CN(CC1[C@H]2COC[C@H]12)C(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2174640374	GERVRYUMISWHGK-NXEZZACHSA-N	318.782	0.907	70	10	DCIE	
CCC[C@@H](COC)C(=O)NC1CCN(S(=O)(=O)F)CC1	2193445531	LNTOCPVLPBTLSQ-JTQLQIEISA-N	310.391	0.844	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(OC[C@@H](C)N2CCOCC2)n1	2186850869	UDKUBYNWMPZBHY-SECBINFHSA-N	304.101	0.939	70	10	DCIE	
CN1CCC(C)(C(=O)N2CC(CCS(=O)(=O)F)C2)CC1	2199694293	ABYWNICXZFBPBL-UHFFFAOYSA-N	306.403	0.866	70	10	DCIE	
CC(C)(C#N)CS(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2110055719	CWWYRGYMDONEMS-UHFFFAOYSA-N	312.388	0.630	70	10	DCIE	
C[C@H]1CCC[C@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)O1	2235199210	QHIJCWOQFDIYTF-JGVFFNPUSA-N	305.331	0.396	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1OC[C@H]2CCC[C@H]21	2287077713	FFVYFDJYTCYDCG-GWOFURMSSA-N	306.359	0.206	70	10	DCIE	
CC(C)[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCO	1268222732	ZRCBQZPWAHFDSD-NSHDSACASA-N	321.374	0.009	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CCCc1cn[nH]c1	691638578	SXILMMRINNFIQW-UHFFFAOYSA-N	318.742	0.232	70	10	DCIE	
Cc1nnc(CC(=O)Nc2ncc(S(=O)(=O)F)s2)o1	1131810173	JJVLNHCZYBDJKK-UHFFFAOYSA-N	306.300	0.674	70	10	DCIE	
C[C@@H](Br)CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	1901501360	HVIPZAWQXFKEMU-RNFRBKRXSA-N	317.180	0.565	70	10	DCIE	
CC[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC[C@H](C)O	1269470989	DAKXUSAETCDGQK-IUCAKERBSA-N	321.374	0.152	70	10	DCIE	
CCc1ccccc1S(=O)(=O)N1CC(S(=O)(=O)F)C1	2134972719	HNORLMITZJEXLS-UHFFFAOYSA-N	307.368	0.921	70	10	DCIE	
CCCCOCCOC[C@H](O)CNC[C@]1(OC)CCOC1	160276110	WLEDRUGQGBDDLL-HUUCEWRRSA-N	305.415	0.576	70	10	DCIE	
CC1(O)CCN(C(=O)c2cc(N)cc(S(C)(=O)=O)c2)CC1	160327194	JBBSNROFBJZQRZ-UHFFFAOYSA-N	312.391	0.659	70	10	DCIE	
Cc1cccc(-n2cc(C(=O)N[C@H](C)Cn3cncn3)nn2)c1	160464251	JBJRSUKNDGGRRL-GFCCVEGCSA-N	311.349	0.986	70	10	DCIE	
C[C@@H]1CC[C@@H](C(N)=O)CN1CCN1C(=O)NC2(CCCC2)C1=O	160533246	XIHHCNIWMORWJO-VXGBXAGGSA-N	322.409	0.437	70	10	DCIE	
COC(CN1CCN(C[C@H]2CN(C(C)C)CCO2)CC1)OC	160952379	ZEDVUKCEGPRJCE-HNNXBMFYSA-N	315.458	0.332	70	10	DCIE	
CCOC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)cn1CC	159844471	SCFXXUPWMKUQMG-UHFFFAOYSA-N	317.411	0.700	70	10	DCIE	
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(S(=O)(=O)F)CC1	2144733014	LOGXERPGWCVCAP-UHFFFAOYSA-N	305.287	0.827	70	10	DCIE	
Cc1ccc(C(=O)N2CCN(S(=O)(=O)F)CC2)cc1O	1974000947	JVNTVRHECJCHMJ-UHFFFAOYSA-N	302.327	0.673	70	10	DCIE	
CC(C)N(CCCS(=O)(=O)Cl)CCS(C)(=O)=O	2003844506	LFWCGHMTMRMYCY-UHFFFAOYSA-N	305.849	0.700	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2CO[C@H](C)C2)c1S(=O)(=O)Cl	2158033724	SCBXKDIYQMSDDM-HTRCEHHLSA-N	321.786	0.800	70	10	DCIE	
COC[C@H]1CN(c2ncc([B-](F)(F)F)c(OC)n2)CCO1	2172770528	MKELLYCIZSUHHO-MRVPVSSYSA-N	306.073	0.391	70	10	DCIE	
COCCn1c(C23CC(CCO2)C3)nnc1S(=O)(=O)Cl	2196626569	KGWRWURWKUZAMB-UHFFFAOYSA-N	321.786	0.878	70	10	DCIE	
COCCNC(=O)COc1ccc(F)cc1S(=O)(=O)F	2191413795	KEESKAMYNLDNGE-UHFFFAOYSA-N	309.290	0.625	70	10	DCIE	
CC(C)(C#N)CS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2110057114	XCIPESDXVQAYMF-VIFPVBQESA-N	312.388	0.630	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1CC[C@]2(CCO2)C1	2097001240	JFJSFXYZTLVSLA-NSHDSACASA-N	304.755	0.947	70	10	DCIE	
Cn1nnc(C[S@@](=O)Cc2ccc(S(=O)(=O)F)cc2)n1	857216504	UOGZDQLPQQLDSI-IBGZPJMESA-N	318.355	0.317	70	10	DCIE	
O=C(NCC1CC1)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1142342945	QPVNOOAMENYUOP-UHFFFAOYSA-N	304.303	0.027	70	10	DCIE	
O=S(=O)(F)N1CCN(S(=O)(=O)[C@@H]2CCC[C@@H]2F)CC1	2118895261	NEBGLJVWLISNNK-DTWKUNHWSA-N	318.367	0.039	70	10	DCIE	
C#C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	1472792437	VKWGMOOGJLCFFC-SECBINFHSA-N	302.283	0.800	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)[C@H]2CCOC2)c1S(=O)(=O)Cl	161852060	MUWRJRFLXIPZER-ZETCQYMHSA-N	307.759	0.507	70	10	DCIE	
CC(=O)c1cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)n(C)c1	160170726	HQKJZINFDNIDAE-UHFFFAOYSA-N	312.391	0.877	70	10	DCIE	
C[C@H](NC(=O)[C@@H]1OCC[C@H]1C)c1cccc(S(N)(=O)=O)c1	160265767	NVXCQPWKPIXFNK-GBIKHYSHSA-N	312.391	0.936	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(C)CCN2CCCC2)cc1N	159620746	QNTDLAQQDACMOY-UHFFFAOYSA-N	312.439	0.709	70	10	DCIE	
CCCNC(=O)[C@H](C)Nc1ccc(S(=O)(=O)NC)c(N)c1	159594246	AIWOVUIIDPBJKE-VIFPVBQESA-N	314.411	0.504	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1COC[C@H]1F	1875999658	JZVIXFLZDAYYTA-SFYZADRCSA-N	310.734	0.419	70	10	DCIE	
CN(CCS(=O)(=O)F)S(=O)(=O)c1ccc(C#N)cc1	883952998	DEOVGBVAUYZQBB-UHFFFAOYSA-N	306.340	0.478	70	10	DCIE	
COc1ccc(C(=O)N2CCN(S(=O)(=O)F)CC2)cc1	1974000644	DGFWKWXLGQKTPF-UHFFFAOYSA-N	302.327	0.667	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1ccccc1O	1974401723	FRGLXPSDRLZGDQ-UHFFFAOYSA-N	302.327	0.801	70	10	DCIE	
CCc1cnc(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)o1	700450135	RAUXZRKYHNYZPS-UHFFFAOYSA-N	319.726	0.475	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CN(c2ncccc2[B-](F)(F)F)CCO1	2172777725	GRGBIHCGGHGPCQ-VIFPVBQESA-N	323.125	0.386	70	10	DCIE	
CCN(CC)[C@H](C)Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2177602374	TUOMQLBVYSODKK-MRVPVSSYSA-N	323.802	0.607	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]21	2176536138	XJCFRZGCBRXAPW-GDPRMGEGSA-N	318.782	0.953	70	10	DCIE	
COC[C@H]1C[C@H]1CNC(=O)c1cc(S(=O)(=O)Cl)cn1C	2189953696	MLFNQJFJGSDDCO-DTWKUNHWSA-N	320.798	0.965	70	10	DCIE	
O=C([C@@H]1CCCc2nccn21)N1CC(CS(=O)(=O)F)C1	2199695352	UHAAVPHTUGMFPX-JTQLQIEISA-N	301.343	0.518	70	10	DCIE	
Cc1cc(F)cnc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287063997	WRHGECZZDCDYOG-VIFPVBQESA-N	305.306	0.548	70	10	DCIE	
COCCC1(CNC(=O)NC[C@@H](O)CN2CCCCC2)CC1	161146379	JBFMYNFFGROZQV-CQSZACIVSA-N	313.442	0.949	70	10	DCIE	
Cc1cc(CS(=O)(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)no1	160705904	RAWJYEGIGFSWTM-PWSUYJOCSA-N	313.379	0.413	70	10	DCIE	
CCCn1c(=O)[nH]c(=O)c2nc(-c3snnc3CC)[nH]c21	159766438	PRYXJBSHOHXEKV-UHFFFAOYSA-N	306.351	0.904	70	10	DCIE	
Cc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)F)CC2)c1	1974001106	NCAOOCPKPHSHRH-UHFFFAOYSA-N	302.327	0.673	70	10	DCIE	
Cn1ncc(C(=O)NCc2ccc(S(=O)(=O)Cl)cc2)n1	312782414	OJAFZMSCKWNUFV-UHFFFAOYSA-N	314.754	0.673	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1Cc1cnccn1	693576760	YFUHVHMDHTUIAY-UHFFFAOYSA-N	317.714	0.866	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cn1)[C@H]1CO[C@@]2(CCOC2)C1	2178995930	LMCQXWQYVMPMEP-PWSUYJOCSA-N	302.085	0.915	70	10	DCIE	
Cc1cc(O[C@H](C)C(=O)NC(N)=O)ccc1S(=O)(=O)F	2191434699	MYSBRBBVVFSQFT-SSDOTTSWSA-N	304.299	0.615	70	10	DCIE	
CC[C@@H](Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)F)C(N)=O	2191432542	PCIORJVGSDBKJH-SSDOTTSWSA-N	306.271	0.896	70	10	DCIE	
O=S(=O)(CC1CCCC1)NCC1CN(S(=O)(=O)F)C1	2108157710	OFPUWADLXYFTRO-UHFFFAOYSA-N	314.404	0.242	70	10	DCIE	
CC(C)(C#N)CS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2110057113	XCIPESDXVQAYMF-SECBINFHSA-N	312.388	0.630	70	10	DCIE	
Cc1[nH]nc(C(=O)NC2[C@@H]3COC[C@@H]23)c1S(=O)(=O)Cl	2118014922	OFSRJWZYIBKCAF-PHDIDXHHSA-N	305.743	0.020	70	10	DCIE	
O=C(COc1ccccc1)N[C@H]1CCN(S(=O)(=O)F)C1	2287070565	FTNIWBAUINPHEP-JTQLQIEISA-N	302.327	0.470	70	10	DCIE	
Cc1cccc(CC(=O)NC[C@@H](O)Cn2ccccc2=O)c1	218417996	KVSYSNMPISVIHP-OAHLLOKOSA-N	300.358	0.877	70	10	DCIE	
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC	218569730	FDZVMFLZGHFEBB-KOLCDFICSA-N	301.387	0.788	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1[C@H]1CCNC1=O	691827894	XOVKJFRTODMLBF-YFKPBYRVSA-N	308.703	0.088	70	10	DCIE	
O=C(CCN1CCSC1=O)N1CC(CS(=O)(=O)F)C1	2134971174	LAQYLGZXVWESLK-UHFFFAOYSA-N	310.372	0.303	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1c1ncnc(Cl)c1CO	160087022	YRTWPBDGRJAIID-JTQLQIEISA-N	314.773	0.354	70	10	DCIE	
O=C(COc1cccc(N2CCCC2=O)c1)NC1(CO)CC1	160295310	ITGUCPNTQPOVRO-UHFFFAOYSA-N	304.346	0.833	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)c1F	159534386	WZYUNFDBTBLITA-SNVBAGLBSA-N	315.370	0.615	70	10	DCIE	
NC(=S)CN1CCN(c2nnc(C(F)(F)F)s2)CC1	160302589	APTDOFCSJHTHHS-UHFFFAOYSA-N	311.358	0.965	70	10	DCIE	
CCNCCCn1cc(S(=O)(=O)NC[C@@H]2C[C@@H]2C)cn1	160902305	NYDFEPFKZNMXFU-RYUDHWBXSA-N	300.428	0.817	70	10	DCIE	
Cc1nn(CCN2CCN(C)C2=O)c(C)c1S(=O)(=O)Cl	690446830	KAPBAAJHAYNAIB-UHFFFAOYSA-N	320.802	0.795	70	10	DCIE	
Cn1c([C@@H]2COCCC2(F)F)nnc1S(=O)(=O)Cl	2047869232	NUEFWRTUXZIUID-YFKPBYRVSA-N	301.702	0.882	70	10	DCIE	
CS(=O)(=O)N[C@@H]1CCN(c2nc([B-](F)(F)F)cs2)C1	2052596691	KKLKZBWBLYGILE-ZCFIWIBFSA-N	314.143	0.325	70	10	DCIE	
O=S(=O)(N1CC[C@H](O)C1)N1CCC[C@@H]([B-](F)(F)F)C1	2070264562	QCOUKNJIFLXPMY-BDAKNGLRSA-N	301.119	0.611	70	10	DCIE	
O=C([C@H]1CC[C@@H]1C(F)(F)F)N1CCN(S(=O)(=O)F)CC1	2232577738	RDALVBCLTWOGJZ-YUMQZZPRSA-N	318.292	0.933	70	10	DCIE	
C[C@@H](CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1)P(C)(C)=O	2271503491	SBCOMHWVIQZWGF-IUCAKERBSA-N	314.319	0.793	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(OCCN2CCOCC2)n1	2280633970	DIQGOAUSBAYHCJ-UHFFFAOYSA-N	305.085	0.856	70	10	DCIE	
COc1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cc1	2287074743	IZYBKSNCJJPJOE-SNVBAGLBSA-N	302.327	0.714	70	10	DCIE	
O=c1ccc(-c2nnc(S(=O)(=O)Cl)n2C2CC2)n[nH]1	236027608	KJLUOPFPWWOAMV-UHFFFAOYSA-N	301.715	0.291	70	10	DCIE	
Cn1nncc1C[S@](=O)Cc1ccc(S(=O)(=O)F)cc1	857213866	SENKBHSBJXXSJT-LJQANCHMSA-N	317.367	0.922	70	10	DCIE	
C[C@H]1CN(CCCCS(=O)(=O)Cl)C[C@H](C)S1(=O)=O	689035849	DCSHFLNHVLHDEA-UWVGGRQHSA-N	317.860	0.843	70	10	DCIE	
CN1C[C@H](Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)OC1=O	690555344	AFRHJFQXNXAVPY-RXMQYKEDSA-N	324.702	0.169	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C2CC(C3CC3)C2)[nH]1	1923157347	WGQUMDGJTNGWCW-UHFFFAOYSA-N	301.343	0.875	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2CCCSC2)[nH]1	1923166813	FLNHRPGUWPRSHI-ZETCQYMHSA-N	307.372	0.582	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ccnc(F)c2)[nH]1	1923160943	JSKVHDXLGGFAEE-UHFFFAOYSA-N	302.262	0.287	70	10	DCIE	
C[C@@H](O)[C@@H](N)CNc1cnn(CC(F)(F)F)c(=O)c1Cl	159552083	YNWMSMKCVRCLLX-RITPCOANSA-N	314.695	0.579	70	10	DCIE	
COc1cc(-c2nnc(S(=O)(=O)Cl)n2C2CC2)nn1C	383544619	QUHGCTULPZZTFY-UHFFFAOYSA-N	317.758	0.950	70	10	DCIE	
Cc1ncnc(N(C)CC2COCCOC2)c1[B-](F)(F)F	2188041253	UHHCLLYGRGWISG-UHFFFAOYSA-N	304.101	0.939	70	10	DCIE	
Cc1cc(S(=O)(=O)Cl)ccc1OCCOCC(N)=O	2232231914	GXYGPJGUHMJIME-UHFFFAOYSA-N	307.755	0.803	70	10	DCIE	
CC1(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CC(F)(F)C1	2271486059	SXDSNCZZGSHPDF-SSDOTTSWSA-N	300.302	0.827	70	10	DCIE	
C#CCNC(=O)[C@@H](C)n1cc(S(=O)(=O)Cl)nc1CC	215709780	IQIVGUBPJXQFHG-MRVPVSSYSA-N	303.771	0.683	70	10	DCIE	
CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)F)C1	1954656107	LYSJXSHNAMMOHX-DTWKUNHWSA-N	312.363	0.815	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)cnn1[C@@]1(C)CCS(=O)(=O)C1	105361738	CGHAYGHYRPPDIT-VIFPVBQESA-N	312.800	0.653	70	10	DCIE	
CN(C(=O)c1ccc(S(=O)(=O)F)cc1Cl)c1nn[nH]n1	1130972103	NYRHXUMWAJFPOI-UHFFFAOYSA-N	319.705	0.788	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC1[C@@H]2COC[C@@H]12	2118018146	WXDUZDIYAFNZAZ-HTQZYQBOSA-N	304.755	0.327	70	10	DCIE	
CO[C@H]1COC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2120785265	LHXNHQFQPDTDHC-BDAKNGLRSA-N	308.743	0.086	70	10	DCIE	
O=C(N[C@@H]1CCC2(C1)OCCO2)c1cc(S(=O)(=O)F)c[nH]1	1435701947	DACJZNUYSJEQGG-MRVPVSSYSA-N	318.326	0.698	70	10	DCIE	
Cn1cc(CS(=O)(=O)F)c(I)n1	1929022496	BJRCHRCRWOHUQG-UHFFFAOYSA-N	304.084	0.824	70	10	DCIE	
C[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](O)CN1CCCCC1	160004779	NRDYOJLTNWTJTL-STQMWFEESA-N	323.393	0.361	70	10	DCIE	
C[C@H]1C[C@H]1CNC(=O)c1ccc(N(C)C)c(S(N)(=O)=O)c1	160337912	UERFWYXCACMGDA-ONGXEEELSA-N	311.407	0.786	70	10	DCIE	
CNCc1ccc(S(=O)(=O)NCCCCOCCOC)o1	160350286	IMYITAXZCPXQIG-UHFFFAOYSA-N	320.411	0.721	70	10	DCIE	
CO[C@H]1C[C@H](C(=O)N2CC[C@H](S(=O)(=O)F)C2)C[C@H]1OC	1973295771	ALFNRVXFDMXQIF-XWLWVQCSSA-N	309.359	0.327	70	10	DCIE	
CC(C)c1nc(C(=O)NCC2CN(S(=O)(=O)F)C2)co1	1974055617	TYQAIWMBOBYVLS-UHFFFAOYSA-N	305.331	0.674	70	10	DCIE	
CN(C)C(=O)[C@@H]1CNCCN1c1nnc(C(F)(F)F)s1	160376830	TXVAFTBCBSZSDB-LURJTMIESA-N	309.317	0.423	70	10	DCIE	
C[C@H](CNS(=O)(=O)CCC1CCNCC1)N1CCCC1	161231508	LQCJKUQVTQLCRO-CYBMUJFWSA-N	303.472	0.780	70	10	DCIE	
CO[C@@H]1CN(c2nc(C)ncc2[B-](F)(F)F)[C@@H]2COC[C@H]12	2172766212	CRLYDKXSEJSYHP-JMJZKYOTSA-N	302.085	0.689	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2C[C@H]3COC[C@H]32)cc1	2186344196	DMXZLJUAKMEWGD-GZMMTYOYSA-N	321.351	0.364	70	10	DCIE	
O=C(O)c1ccc(OCc2nc[nH]n2)c(S(=O)(=O)F)c1	2191425905	JHTZTALLFJWVHW-UHFFFAOYSA-N	301.255	0.740	70	10	DCIE	
O=S(=O)(F)N1CCN(S(=O)(=O)CC2CCCC2)CC1	2107407194	GOKJCEQOCLBAJC-UHFFFAOYSA-N	314.404	0.338	70	10	DCIE	
FC(F)Cn1nnnc1Sc1ncc([B-](F)(F)F)cn1	2225654475	SULOXQPXOYQIIG-UHFFFAOYSA-N	311.028	0.934	70	10	DCIE	
COC[C@@]1(C)C[C@@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2284693347	XRXCJELCWSVSOC-WRWORJQWSA-N	321.786	0.800	70	10	DCIE	
O=C(CCOCC(F)(F)F)N[C@H]1CCN(S(=O)(=O)F)C1	2287074771	JLRVNWFCIULJIL-ZETCQYMHSA-N	322.280	0.360	70	10	DCIE	
Cc1ccc(S(=O)(=O)F)cc1S(=O)(=O)N1CCOCC1	675063441	UMWSVDGSRLXFSQ-UHFFFAOYSA-N	323.367	0.674	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1CCCOC1	689450368	UFDHHOUOGLPXPO-ZETCQYMHSA-N	308.743	0.303	70	10	DCIE	
CS(=O)(=O)C1CCN(c2ncc([B-](F)(F)F)cn2)CC1	2116150433	QEJLLGHOLUKANN-UHFFFAOYSA-N	308.114	0.544	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2C[C@H]1C[S@]2=O	1347083734	RHFZQPDPBDGLOC-FHHFXDHISA-N	306.340	0.018	70	10	DCIE	
C[C@H]1CCS[C@@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923174332	RNBOIGVFRGUPCV-XPUUQOCRSA-N	307.372	0.580	70	10	DCIE	
CC(C)OCCNC(=O)c1cc(S(N)(=O)=O)c(F)cc1F	161476855	CYTCRAQYXPQUQB-UHFFFAOYSA-N	322.333	0.767	70	10	DCIE	
CNC(=O)c1ccc(S(=O)(=O)N2CCC(C)(O)CC2)cc1	160619673	QXJQXSVWISPYBB-UHFFFAOYSA-N	312.391	0.582	70	10	DCIE	
C[C@](O)(Cc1cccc(F)c1)[C@]1(CN)CCS(=O)(=O)C1	159431772	CRQMIXJCVMJHJY-KBPBESRZSA-N	301.383	0.883	70	10	DCIE	
COc1ccc(C(=O)N2CCN(S(=O)(=O)F)CC2)cn1	1974000526	BDZODXRQBFVIMG-UHFFFAOYSA-N	303.315	0.062	70	10	DCIE	
Cc1nc(Cl)ccc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974054286	BCVPDLFNOJUIGU-UHFFFAOYSA-N	321.761	0.919	70	10	DCIE	
Cc1ccc(C(=O)NCC2CN(S(=O)(=O)F)C2)cc1O	1974058187	CXEJNEFWXNNHKT-UHFFFAOYSA-N	302.327	0.577	70	10	DCIE	
Cc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)F)CC2)nn1	2144732030	ASZRMGRCSTWWNS-UHFFFAOYSA-N	323.371	0.237	70	10	DCIE	
CCNc1nnc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)s1	160308820	LJJPKXHIJNRFKC-SSDOTTSWSA-N	304.397	0.277	70	10	DCIE	
O=C1C[C@@H](COc2ccc([N+](=O)[O-])cc2S(=O)(=O)Cl)N1	2149185983	CDVAYWWWPUVGCF-LURJTMIESA-N	320.710	0.790	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)c2cncs2)CC1	2031782655	WJXAFFAUGZNUQG-UHFFFAOYSA-N	314.385	0.596	70	10	DCIE	
COc1nc(-n2nnc(C(F)(F)F)n2)ncc1[B-](F)(F)F	2172770490	LUMMVGALSRFFGJ-UHFFFAOYSA-N	312.950	0.534	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)n1	2172768433	IZSZDVQXUXCWME-NXEZZACHSA-N	319.137	0.925	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1CCOC[C@H]1F	2186742294	ICPMRAFCRSRARE-RKDXNWHRSA-N	324.761	0.809	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NCC1(C)COC1	2097868878	UTWUYUCZXDSOSY-UHFFFAOYSA-N	306.771	0.719	70	10	DCIE	
O=C(N1CCC[C@@H](S(=O)(=O)F)C1)[C@]12CO[C@](CF)(C1)C2	2202593388	VHRBLKSATSMYCS-YUSALJHKSA-N	309.334	0.795	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCCC1(F)F	2271492766	PDDUQSYDHXWVSV-JGVFFNPUSA-N	300.302	0.827	70	10	DCIE	
O=S(=O)(CCC1CCC1)N[C@@H]1CCN(S(=O)(=O)F)C1	2271500906	OCUWTWWFWIOQEV-SNVBAGLBSA-N	314.404	0.385	70	10	DCIE	
CC(C)c1ocnc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287079007	KGCFBMTVPKCTKX-QMMMGPOBSA-N	305.331	0.816	70	10	DCIE	
CS(=O)(=O)N1CCC[C@H](Cn2cccc2C(N)=S)C1	160108250	HGWXVZNSCMUHHD-SNVBAGLBSA-N	301.437	0.794	70	10	DCIE	
COc1ccc(S(N)(=O)=O)cc1CC(=O)NC[C@H]1C[C@H]1C	160326379	XYIUHIRQJRXHEC-MWLCHTKSSA-N	312.391	0.657	70	10	DCIE	
CC(C)c1cnc(S(=O)(=O)C[C@H](C)CS(C)(=O)=O)n1C	160393826	WSKHKXWAIIEFKG-SNVBAGLBSA-N	322.452	0.998	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H]1C(=O)N(C)C	161032912	NDUNCFXHDHTTSP-LLVKDONJSA-N	322.365	0.563	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1ccc(OC)cc1N	218149202	LTDIGADKVPQWEF-UHFFFAOYSA-N	301.368	0.034	70	10	DCIE	
CC(=O)c1ccc(OC[C@H](O)CO)c(S(=O)(=O)Cl)c1	261025594	IOGQOSHAOHXKNZ-SECBINFHSA-N	308.739	0.549	70	10	DCIE	
CC[C@H](CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl)OC	388709822	IDFQJCXCNZZGQF-SSDOTTSWSA-N	309.775	0.800	70	10	DCIE	
CO[C@H]1CCOC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	725040813	FCUFQLCBLMOJSF-ZJUUUORDSA-N	322.770	0.476	70	10	DCIE	
CC#CCNC[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1319244289	HJVIPSLJXOTNPL-JTQLQIEISA-N	315.370	0.652	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@H](O)CC(F)(F)C1	1521207292	UAWUVORDDLJDTR-ZCFIWIBFSA-N	312.269	0.515	70	10	DCIE	
O=S1(=O)CC[C@H](COc2ccc(S(=O)(=O)F)cc2)N1	1875879096	BXMGXKGOTOSXCZ-MRVPVSSYSA-N	309.340	0.415	70	10	DCIE	
C#C[C@@H](C)CNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	1878657781	LNSBCQVQWCFTSF-SECBINFHSA-N	305.352	0.892	70	10	DCIE	
CC(C)c1nnsc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974054924	KHTTZESYXJAIQZ-UHFFFAOYSA-N	322.387	0.537	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)N2CCCCC2)C1	2134973743	VQVHKJWINJEPCA-UHFFFAOYSA-N	314.404	0.338	70	10	DCIE	
O=C(Nc1ccc(S(=O)(=O)F)nc1)[C@@H]1[C@@H]2CCOC[C@H]21	2166521327	IMMSERDGOOHJDV-FXPVBKGRSA-N	300.311	0.961	70	10	DCIE	
CN(C[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21)c1ncncc1[B-](F)(F)F	2174650599	XLRAKIGIHDOWNZ-AYMMMOKOSA-N	320.125	0.258	70	10	DCIE	
C[C@H]1OC2(Cn3cc(S(=O)(=O)Cl)c(O)nc3=O)CC1C2	2188933682	KWQFMYDDMMBMFG-JYHQXFQUSA-N	320.754	0.444	70	10	DCIE	
O=S(=O)(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cccs1	2258993017	JKDFFHBMBKMABR-SSDOTTSWSA-N	314.385	0.315	70	10	DCIE	
O=C(c1nnn2c1CCCC2)N1CC[C@@H](S(=O)(=O)F)C1	2289122133	ZIPHXEOMVFTUMX-MRVPVSSYSA-N	302.331	0.128	70	10	DCIE	
O=C(C[C@H]1CCC1(F)F)NCC1CN(S(=O)(=O)F)C1	2335410725	KDTNDDAXVFZXRL-MRVPVSSYSA-N	300.302	0.684	70	10	DCIE	
CN1CCc2nc(NC(=O)Nc3ccc(=O)[nH]n3)sc2C1	217303973	DSOYGZAMDOXDKM-UHFFFAOYSA-N	306.351	0.858	70	10	DCIE	
CC12CC(C1)[C@@H](C(=O)NCC1CN(S(=O)(=O)F)C1)CO2	2362911435	UKBQOERFOGOWGZ-YZRBJQDESA-N	306.359	0.064	70	10	DCIE	
Cc1cccnc1CC(=O)NCC1CN(S(=O)(=O)F)C1	2164430555	INCAOCFHJOBTGJ-UHFFFAOYSA-N	301.343	0.195	70	10	DCIE	
CCCCn1c(=O)n(C)c(=O)c2cc(S(=O)(=O)F)cnc21	675063246	OZHJWXPPAPTMFP-UHFFFAOYSA-N	315.326	0.554	70	10	DCIE	
CCC(=O)N[C@H](CC)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1704683367	HFJUEVMJXXHSBE-MRVPVSSYSA-N	319.358	0.708	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)[nH]1	1923157821	GEEBEJGWZAPDGJ-HRDYMLBCSA-N	301.343	0.875	70	10	DCIE	
O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@H]1c1c(F)cccc1F	160293180	QBBKSMSBHDGYTI-UASFKTIASA-N	309.272	0.535	70	10	DCIE	
CNC(=O)c1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1	160413151	YTMZAKVHLZSAQG-HNNXBMFYSA-N	319.405	0.623	70	10	DCIE	
Cc1c(CNC[C@@H](O)COc2ccc3c(c2)OCO3)cnn1C	160921267	RIBGLCKLYRAPDL-CYBMUJFWSA-N	319.361	0.987	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)CCC(=O)OCC	159462505	VBWJDMSTONWIMI-NSHDSACASA-N	300.355	0.083	70	10	DCIE	
CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)N(C)C(C)C)CC2	159368351	GXHNEVYSHIILLD-LLVKDONJSA-N	315.443	0.891	70	10	DCIE	
COCc1csc(C(=O)N2CCN(S(=O)(=O)F)CC2)c1	1974014569	KGNFDAOJRSZCAE-UHFFFAOYSA-N	322.383	0.867	70	10	DCIE	
CC(C)c1nc(C(=O)N2CCN(S(=O)(=O)F)CC2)co1	1974014750	MGOKPFWGTAIDHU-UHFFFAOYSA-N	305.331	0.770	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1C(=O)c1nnc(Cl)s1	159519816	BFPONYIMXROOKH-SSDOTTSWSA-N	318.786	0.557	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)c2ccns2)C1	2028125777	COJRAMUFSAIVFV-ZETCQYMHSA-N	314.385	0.596	70	10	DCIE	
COc1nc(N2C[C@H](C)[C@H](N(C)C)C2)ncc1[B-](F)(F)F	2172764909	KAFJYCPIQWWIEX-WCBMZHEXSA-N	303.117	0.926	70	10	DCIE	
CN1CCC(CC(=O)N2CC(CCS(=O)(=O)F)C2)CC1	2199684828	VENKHZGMUZDCDZ-UHFFFAOYSA-N	306.403	0.866	70	10	DCIE	
COCc1nc(Cn2cc(S(=O)(=O)Cl)nc2C)no1	2113473094	NBINKKNSDCQYHF-UHFFFAOYSA-N	306.731	0.697	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@]1(F)CCOC1	2229927611	UVWAMFYLQXCFTJ-SECBINFHSA-N	312.706	0.005	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cccc(O)c1O	2287074598	HINDOKFOFBAFQR-SSDOTTSWSA-N	304.299	0.116	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cc(F)cc(F)c1	2287076029	QEQGJVYWIOJTRJ-JTQLQIEISA-N	308.281	0.983	70	10	DCIE	
CCOC(=O)N(CCN)C(=O)N[C@H]1CC(=O)N(C(C)C)C1	217289323	CBNFOMZDYCGZGS-JTQLQIEISA-N	300.359	0.123	70	10	DCIE	
Cc1cccnc1CC(=O)N1CCN(S(=O)(=O)F)CC1	2163654907	KASOBXGLJYNWQM-UHFFFAOYSA-N	301.343	0.291	70	10	DCIE	
C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)Cl)C1	1953573945	PKGDXSIEQLBPJI-PHDIDXHHSA-N	308.709	0.859	70	10	DCIE	
CCS(=O)(=O)C[C@H](C)N(C)c1ncncc1[B-](F)(F)F	2116146441	SYMZEOMHOQWGKE-QMMMGPOBSA-N	310.130	0.790	70	10	DCIE	
O=C(NCC(O)(C1CC1)C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1347256748	SYFAIQWUARLAJT-UHFFFAOYSA-N	316.354	0.954	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CC(N3CCSCC3)C2)nc1	2134644689	LTKHOPCBEOJGGP-UHFFFAOYSA-N	303.142	0.768	70	10	DCIE	
C[C@@H]([C@H](Cc1ccc(Br)cn1)NN)S(C)(=O)=O	161131281	SVOLQJXGCBNKFV-XVKPBYJWSA-N	322.228	0.652	70	10	DCIE	
O=c1[nH]cc(S(=O)(=O)NCC2(CO)CCCC2)cc1Cl	160253589	SBPKRCWWAFLFPY-UHFFFAOYSA-N	320.798	0.859	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)[C@@](C)(CC)C(N)=S	159777457	DPMHRFWXVQGRQH-YGRLFVJLSA-N	315.439	0.442	70	10	DCIE	
Cc1cc(OCC(=O)N2CCC[C@@H](S(=O)(=O)F)C2)no1	1968226341	AOBGNELYORTEAO-SECBINFHSA-N	306.315	0.652	70	10	DCIE	
CO[C@@H](C(=O)N1CCC(S(=O)(=O)F)CC1)[C@@H]1CCCO1	1972663984	FYRNROINHKOVDY-WDEREUQCSA-N	309.359	0.471	70	10	DCIE	
C[C@H](CC(=O)NCC1CN(S(=O)(=O)F)C1)C(F)(F)F	1974058226	DECGYUVVFIFNOJ-ZCFIWIBFSA-N	306.281	0.837	70	10	DCIE	
COc1cc(C(=O)N2CCN(S(=O)(=O)F)CC2)ccn1	1974000474	ACTRZNWKQAGACL-UHFFFAOYSA-N	303.315	0.062	70	10	DCIE	
Cc1c(C(=O)NC2CCN(S(=O)(=O)F)CC2)cnn1C	1974402268	LOMIRAWKLMOURM-UHFFFAOYSA-N	304.347	0.137	70	10	DCIE	
CCCNc1nnc(C(=O)N[C@@H]2CCS(=O)(=O)C2)s1	159963921	PURFRELWRUTBQD-SSDOTTSWSA-N	304.397	0.277	70	10	DCIE	
COCC[C@@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O	160307777	HMEFEKDIYPEDHA-SECBINFHSA-N	302.352	0.098	70	10	DCIE	
CC1(C)C[C@@H](S(C)(=O)=O)CN1c1ncncc1[B-](F)(F)F	2179891839	AUCWKNOMOWZQHG-MRVPVSSYSA-N	322.141	0.933	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1[C@@H](C)C(=O)N(C)C	2182343385	IADKTAXUTBWCBI-QMMMGPOBSA-N	323.802	0.996	70	10	DCIE	
C[C@@H]1[C@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1(F)F	2095472429	MVDZMJYOLURZMC-UHNVWZDZSA-N	314.697	0.778	70	10	DCIE	
Cn1nc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cc1Cl	2271495131	LDVHXADLHHAHCJ-ZCFIWIBFSA-N	310.738	0.092	70	10	DCIE	
O=S1(=O)CCN(c2ncncc2[B-](F)(F)F)CC12CCC2	2279703633	DHLKUXXYJGXNJR-UHFFFAOYSA-N	320.125	0.689	70	10	DCIE	
C[C@@]1(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)CC=CCO1	2365406295	SNYXJLWOWMTHFQ-NSHDSACASA-N	320.754	0.612	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1CCO[C@H]2C[C@H]21	2115269053	HSGPYOKRVHJCDH-SCZZXKLOSA-N	304.755	0.566	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CCCN1c1ncncc1[B-](F)(F)F	2116140013	HHCBSNAPADMCRS-QMMMGPOBSA-N	308.114	0.544	70	10	DCIE	
C[C@H](C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F)C(F)(F)F	2123140490	AFPRPDNZGYEQKG-SCSAIBSYSA-N	303.237	0.637	70	10	DCIE	
COCCCS(=O)(=O)NCC(=O)N(C)Cc1ccc(C)o1	160536076	OLZUHICEAGMPBS-UHFFFAOYSA-N	318.395	0.502	70	10	DCIE	
NC[C@H]1CCCC[C@@H]1Nc1cnn(CCO)c(=O)c1Cl	159663499	JSOBJDPWDAVATL-ZJUUUORDSA-N	300.790	0.818	70	10	DCIE	
CNc1ccncc1S(=O)(=O)NC[C@@]1(OC)CCOC1	161202313	OZGJCPHFUWPNEV-LBPRGKRZSA-N	301.368	0.207	70	10	DCIE	
CN(C)c1cccc(C(=O)NC2CN(S(=O)(=O)F)C2)c1	2284150185	IPHIVLCEOFGVRA-UHFFFAOYSA-N	301.343	0.381	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)Nc2cncnc2)c1	460097884	VANGGZFQFYEQFY-UHFFFAOYSA-N	317.323	0.936	70	10	DCIE	
Cc1nc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)ncc1[B-](F)(F)F	2336509579	VGOJXIHZOFXQSS-APPZFPTMSA-N	306.098	0.073	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)n1	2336520078	JZAIXYCXCWHARC-WCBMZHEXSA-N	305.110	0.678	70	10	DCIE	
CC(C)[C@@H]1CC[C@H](N)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217972003	DLLWMZIRTNGCRQ-KFWWJZLASA-N	317.499	0.963	70	10	DCIE	
CN[C@H]1CC[C@H](C(C)C)C[C@@H]1N1CCN(S(C)(=O)=O)CC1	217961335	LVKDCRVQPVJNJG-KKUMJFAQSA-N	317.499	0.976	70	10	DCIE	
Cc1ccnc(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)n1	707931884	ULFOHOBGEIFGMJ-UHFFFAOYSA-N	316.726	0.023	70	10	DCIE	
O=C1CC[C@H]1CS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2121679841	WVOCWOSNBNVINP-IUCAKERBSA-N	313.372	0.059	70	10	DCIE	
O=C(NCCc1ccc(S(=O)(=O)Cl)cc1)C1COC1	2119981534	ARVPMWSOHCCRES-UHFFFAOYSA-N	303.767	0.919	70	10	DCIE	
C[C@@H](C(=O)Nc1ncc(S(=O)(=O)F)s1)n1cncn1	1438189449	OQAHJMNEANRBBC-YFKPBYRVSA-N	305.316	0.593	70	10	DCIE	
COc1ncc(C(=O)Nc2ncc(S(=O)(=O)F)s2)cn1	1587495041	FBRVNZINXIOARE-UHFFFAOYSA-N	318.311	0.852	70	10	DCIE	
CSCCCC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O	160681288	FDEBEUDELIYQIL-GHMZBOCLSA-N	308.469	0.964	70	10	DCIE	
CNC[C@@H]1CN(c2c(Cl)cnn(CC3CC3)c2=O)CCO1	159846797	HSTKBKHOSCMGIL-LLVKDONJSA-N	312.801	0.731	70	10	DCIE	
NC(=O)c1ccc(=O)n(Cc2noc(C3CCCCC3)n2)n1	159740520	SDPVMOGMGOYUNH-UHFFFAOYSA-N	303.322	0.821	70	10	DCIE	
COC(=O)Cn1ncc(N2C[C@H](CN)C[C@@H]2C)c(Cl)c1=O	159982967	ZNHFGTWSJZYHKG-IUCAKERBSA-N	314.773	0.243	70	10	DCIE	
C[C@H]1OCC[C@@]1(C)NC(=O)c1cncc(OS(=O)(=O)F)c1	1887514079	KWSQMIWOOPUGOQ-PRHODGIISA-N	318.326	0.972	70	10	DCIE	
CS(=O)(=O)c1cccc(OCc2nnc(NN)s2)c1	159695790	CAOGOJIDGMQSJI-UHFFFAOYSA-N	300.365	0.806	70	10	DCIE	
COc1cc(NS(=O)(=O)c2cn(C)nc2N)ccc1F	159794261	AXEOCUKFFDIFCS-UHFFFAOYSA-N	300.315	0.951	70	10	DCIE	
CNCc1ccc(S(=O)(=O)NC[C@]2(OC)CCOC2)o1	161491055	GUQIBVQUVLXQTM-GFCCVEGCSA-N	304.368	0.083	70	10	DCIE	
COC[C@@H]1CC[C@@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2207416249	MUSWTPVVHOSXHK-YUMQZZPRSA-N	321.786	0.800	70	10	DCIE	
O=S(=O)(CCCC1CC1)N[C@@H]1CCN(S(=O)(=O)F)C1	2271516125	MDJXPJSNJZMWCM-SNVBAGLBSA-N	314.404	0.385	70	10	DCIE	
COC(=O)CNC(=O)NCCCN1C(=O)c2ccccc2C1=O	217306310	QRKFVDWQXVPXQT-UHFFFAOYSA-N	319.317	0.145	70	10	DCIE	
C[C@@]1(C(F)(F)F)C[C@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	2164437698	VIALQMCAZLFOCZ-IONNQARKSA-N	318.292	0.837	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@H]1CCN(C)C1=O	2125953354	IRIOKMOWCZJLAI-ZETCQYMHSA-N	307.759	0.360	70	10	DCIE	
COCCCNC(=O)[C@@H](C)n1cc(S(=O)(=O)Cl)nc1C	215735270	PBDBESGFHIMNPD-MRVPVSSYSA-N	323.802	0.833	70	10	DCIE	
CSC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1	217696970	AFBZCISYDQJUMI-RISCZKNCSA-N	300.424	0.475	70	10	DCIE	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CC(S(=O)(=O)F)C2)C1	2134976511	YQCRLZYXFFVBEI-DTORHVGOSA-N	314.404	0.193	70	10	DCIE	
Cn1[nH]cc2c(=NC(=O)c3cc(S(=O)(=O)F)c[nH]3)ccnc1-2	1540104690	KKVGDMSRSLBHDX-UHFFFAOYSA-N	323.309	0.580	70	10	DCIE	
Cc1ccc(-c2nnn(CC(=O)N[C@H]3CCC[C@@H]3O)n2)cc1	161100902	HIOZHVVLNGKGGA-STQMWFEESA-N	301.350	0.678	70	10	DCIE	
CCN(CC1CCNCC1)c1cnn(CCO)c(=O)c1Cl	159786140	QAMWCXBWFGPSTJ-UHFFFAOYSA-N	314.817	0.715	70	10	DCIE	
CCn1cccc1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974403059	UFZAQSJKULKEEH-UHFFFAOYSA-N	303.359	0.917	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nsc(C2CC2)n1	1999736010	IPACVDAJFLXYLV-UHFFFAOYSA-N	316.813	0.758	70	10	DCIE	
C[C@@H](CCCN1CCS(=O)(=O)C[C@H]1C)S(=O)(=O)Cl	2037933380	BBOIPFYZFCRKKT-ZJUUUORDSA-N	317.860	0.843	70	10	DCIE	
COc1nc(N(C)[C@@H]2COC[C@@H]2OC)ncc1[B-](F)(F)F	2177286283	YPQYCUWERUOYHF-BDAKNGLRSA-N	306.073	0.390	70	10	DCIE	
COCC1(NC(=O)c2cc(S(=O)(=O)Cl)cn2C)CC1	697502143	FRDYTXMKDJLZOS-UHFFFAOYSA-N	306.771	0.861	70	10	DCIE	
O=C(N1CCN(S(=O)(=O)F)CC1)C(F)(F)[C@H]1CCOC1	2185238680	YYBARJRDXNAXPV-QMMMGPOBSA-N	316.301	0.017	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@H]1C(F)(F)F	2268795897	JLQNOLWFQGYDDF-RNFRBKRXSA-N	304.265	0.590	70	10	DCIE	
Cc1cc(Cl)c(C(=O)NC2CN(S(=O)(=O)F)C2)cn1	2268806208	RZNDDVUXPOQVTG-UHFFFAOYSA-N	307.734	0.672	70	10	DCIE	
CC(C)(C(=O)NC1CN(S(=O)(=O)F)C1)c1ccccc1	2284152448	XNBHBMPRWAFANV-UHFFFAOYSA-N	300.355	0.979	70	10	DCIE	
O=C(NCc1ccc(S(=O)(=O)Cl)s1)c1c[nH]nn1	127417052	KPOATBHGWFLJEM-UHFFFAOYSA-N	306.756	0.724	70	10	DCIE	
COCCn1c(-c2cnccn2)nnc1S(=O)(=O)Cl	133328707	NDBFKQMMFWDKGV-UHFFFAOYSA-N	303.731	0.309	70	10	DCIE	
Cc1nc(N2C[C@H]3C[C@H]2CS3(=O)=O)ncc1[B-](F)(F)F	2116136398	IUZMPMHUNKSVMC-JGVFFNPUSA-N	306.098	0.215	70	10	DCIE	
CCN(CCCO)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1663426747	JDTRWNSBDDLWLX-UHFFFAOYSA-N	321.374	0.107	70	10	DCIE	
O=C(NCC(=O)N1CC[C@@H](N2CCCC2)C1)c1cccnc1	161342335	HQQFTPPNHMHOLI-CQSZACIVSA-N	302.378	0.508	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)C(=O)N[C@@H](C)CC	160357398	ZEVUDQNHSJKPEQ-DTWKUNHWSA-N	324.381	0.903	70	10	DCIE	
CN(C)C(=O)NCCNC[C@H](O)COc1cccc(Cl)c1	160926185	FUZAXGKDRJMJOC-LBPRGKRZSA-N	315.801	0.941	70	10	DCIE	
CCNC(=O)CN1CCN(Cc2ncc(C)c(OC)c2C)CC1	160960198	PPQWYTZMHVZSRG-UHFFFAOYSA-N	320.437	0.961	70	10	DCIE	
COc1ccc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)nn1	159542152	DKOUSFHJGGBFFC-GFCCVEGCSA-N	320.393	0.811	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@@H](C)Cn2ccnc2)cc1N	159594866	RXKROWKWLUAYSN-JTQLQIEISA-N	309.395	0.874	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1C[C@@H]2COC[C@H]21	2143879875	SLCADSDLCKPHJS-SZEHBUNVSA-N	318.782	0.717	70	10	DCIE	
CO[C@@]1(C(=O)N2CCC(S(=O)(=O)F)CC2)CCCOC1	1972665321	UYCJXEJXYKLRIY-LBPRGKRZSA-N	309.359	0.472	70	10	DCIE	
CC(=O)c1c[nH]c(C(=O)NCC2CN(S(=O)(=O)F)C2)c1	1974060544	VDSXRKFRZCVUNV-UHFFFAOYSA-N	303.315	0.093	70	10	DCIE	
CCNc1nnc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)s1	160087555	KGHOKTCZQSLBAK-SSDOTTSWSA-N	304.397	0.229	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@@H]1CCN(C)C1	691590032	HOKCVFIENNONFL-MRVPVSSYSA-N	322.774	0.979	70	10	DCIE	
COCCN1CC[C@@H](N(C)c2ncc([B-](F)(F)F)cn2)C1	2172772837	SPECNUYXEYXOHR-LLVKDONJSA-N	303.117	0.688	70	10	DCIE	
COc1nc(N2CC[C@H](S(C)(=O)=O)C2)ncc1[B-](F)(F)F	2179892876	JLFADAJUXXSMFH-ZETCQYMHSA-N	324.113	0.163	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)Cc2ccccc2)C1	2088469753	QIPIKOOFBCHVAF-NSHDSACASA-N	307.368	0.890	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1[C@H]2CCC[C@H]21	2093682968	BASGSGKLDFCXMI-JIGDXULJSA-N	304.755	0.923	70	10	DCIE	
COc1cccc(/C=C/NC(=O)N2CCN(CCO)CC2)c1	217941091	VZJDTLHLNUDVTF-AATRIKPKSA-N	305.378	0.985	70	10	DCIE	
CS(=O)(=O)CC1(Cn2cc(S(=O)(=O)Cl)cn2)CC1	694539080	JLRQLQWMBBMWGQ-UHFFFAOYSA-N	312.800	0.635	70	10	DCIE	
O=S(=O)(Cl)C[C@H](COCCN1CCOCC1)C1CC1	2119258177	ULCVYHUOTWRBQY-LBPRGKRZSA-N	311.831	0.930	70	10	DCIE	
CCc1nnsc1C(=O)N1CC(CCS(=O)(=O)F)C1	2134975629	QSRIONBAEXAVGZ-UHFFFAOYSA-N	307.372	0.862	70	10	DCIE	
O=C(CCc1ccncc1)N1CCN(S(=O)(=O)F)CC1	1974001574	WIRFMUSOPCTRNW-UHFFFAOYSA-N	301.343	0.373	70	10	DCIE	
Cc1nc(N2CCN(C3COC3)CC2)ccc1[B-](F)(F)F	2172785044	SCLNPZHOCFDQND-UHFFFAOYSA-N	300.113	0.965	70	10	DCIE	
COC[C@H]1C[C@H]1CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2189958104	YQHBMESTQMUZON-JGVFFNPUSA-N	321.786	0.658	70	10	DCIE	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)F)c1O[C@H](C)C(N)=O	2191435713	ZXVILPXWLXANFL-ZCFIWIBFSA-N	306.271	0.814	70	10	DCIE	
CC12CC(NC(=O)c3cc(S(=O)(=O)Cl)c[nH]3)(CO1)C2	2100443307	VSLOZLGCRFPYDX-UHFFFAOYSA-N	304.755	0.994	70	10	DCIE	
C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC	1262788301	YFWXNFZBHYXPHB-SNVBAGLBSA-N	318.326	0.911	70	10	DCIE	
CC[C@H](C)N(C)CCNC(=O)C1(C(N)=S)CCOCC1	218181574	AZQBXEILQJYDSG-NSHDSACASA-N	301.456	0.916	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C(C)(C)C2(F)F)[nH]1	1923179175	YEPLXSGMSOAERH-ZCFIWIBFSA-N	311.285	0.730	70	10	DCIE	
C[C@@H](CCCNCC#N)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1571309065	WJOALHQHRZCVRL-VIFPVBQESA-N	316.358	0.685	70	10	DCIE	
C[C@@H]1NC(C(=O)N(C)[C@@H](C)CO)=NN(c2ccccc2)C1=O	160395217	CFKMEWHSKJSDDL-QWRGUYRKSA-N	304.350	0.164	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2[C@H]3CC[C@H]2CC(O)C3)cc1N	159627427	GJRWYDNWUCFMPM-UWVGGRQHSA-N	311.407	0.669	70	10	DCIE	
C[C@@](F)(C(=O)N1CCN(S(=O)(=O)F)CC1)C(F)(F)F	1876587144	KOMXNGHVJJZOAJ-SSDOTTSWSA-N	310.244	0.635	70	10	DCIE	
CC[C@@H]1CC[C@@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)O1	1974394469	JNDLSFDSOHOLTA-MNOVXSKESA-N	308.375	0.739	70	10	DCIE	
CN1CC[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	163317772	KBZQWBZJIBLLEM-VIFPVBQESA-N	322.383	0.327	70	10	DCIE	
CC(C)CNS(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2028126826	GGNMSYQSTJZVDD-UHFFFAOYSA-N	302.393	0.241	70	10	DCIE	
O=[N+]([O-])c1ncccc1S(=O)(=O)CCS(=O)(=O)Cl	2055795195	UFNHPTLDLFJYJL-UHFFFAOYSA-N	314.728	0.332	70	10	DCIE	
O=C(Cn1ccc(O)nc1=O)N1CCC([B-](F)(F)F)CC1	2239525046	IBHQIKLPLSZEEC-UHFFFAOYSA-N	304.057	0.789	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1C(F)(F)C12CCC2	2287066370	WEGSZNJAPNFGGE-JGVFFNPUSA-N	312.313	0.827	70	10	DCIE	
CC(C)(C)N1C[C@H](NC(=O)NC(=O)C2CCNCC2)CC1=O	217286095	DGKROFKDFSVZLK-LLVKDONJSA-N	310.398	0.211	70	10	DCIE	
NC(=O)[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C[B-](F)(F)F)C1	1955896386	RDMUVZASPRXHRH-NTSWFWBYSA-N	320.022	0.227	70	10	DCIE	
C[C@H](Cn1cnc(S(=O)(=O)Cl)c1)CS(C)(=O)=O	689698470	RQCUSCOPXCIHRT-SSDOTTSWSA-N	300.789	0.491	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CC(S(C)(=O)=O)C2)n1	2116128860	RBQFYTLGXAYNGP-UHFFFAOYSA-N	308.114	0.381	70	10	DCIE	
O=C(NCC[C@H](O)C(F)F)c1cc(S(=O)(=O)F)c[nH]1	1347083265	OEGGPKLZPMXGOA-ZETCQYMHSA-N	300.258	0.419	70	10	DCIE	
Cn1ccc(S(=O)(=O)Nc2nn(C)cc2S(=O)(=O)F)c1	1923194503	VIBWBBXGHJGKHE-UHFFFAOYSA-N	322.343	0.218	70	10	DCIE	
CCN1CCO[C@H]([C@H](N)c2c(Cl)cnn2CCN(C)C)C1	161212793	WBHGRRUYGASGNS-STQMWFEESA-N	315.849	0.819	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1nc2sccn2c1CN	160149691	REOPEXFQSNEIAQ-JTQLQIEISA-N	309.395	0.196	70	10	DCIE	
CCc1nc(CN2CCCC[C@H](N3CCN(C)CC3)C2)n[nH]1	159377917	KETAESUOTKKIJO-AWEZNQCLSA-N	306.458	0.969	70	10	DCIE	
C[C@]1(c2cccnc2)NC(=O)N(CCS(=O)(=O)F)C1=O	883953084	HDXXZJNFRXMWGW-LLVKDONJSA-N	301.299	0.148	70	10	DCIE	
CO[C@H](C(=O)NC1CCN(S(=O)(=O)F)CC1)C1CCC1	1974394644	MOCWOVHJSCPOBZ-NSHDSACASA-N	308.375	0.596	70	10	DCIE	
CC(C)CNS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2028130501	PZJDTDRJCYGAMU-SECBINFHSA-N	302.393	0.241	70	10	DCIE	
COc1cc(OC)n(-c2ncc([B-](F)(F)F)c(OC)n2)n1	2172757644	DYCWAYVQVOPKLV-UHFFFAOYSA-N	303.029	0.743	70	10	DCIE	
CO[C@@H]1C[C@@H]1NC(=O)c1n[nH]c(C(C)C)c1S(=O)(=O)Cl	2188223463	LWGMDBNFKBBNSB-NKWVEPMBSA-N	321.786	0.978	70	10	DCIE	
CCS(=O)(=O)[C@H]1CCN(CCCCS(=O)(=O)Cl)C1	2059345173	VDAKYGLUPGHFSG-JTQLQIEISA-N	317.860	0.844	70	10	DCIE	
Cc1c(CN2CCNCC2)cc(S(=O)(=O)F)c(C)c1N	1887576993	ZBNWAHIFBJAJGU-UHFFFAOYSA-N	301.387	0.949	70	10	DCIE	
NC(=O)[C@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1460844690	FECQTIRIFPPJFQ-NKWVEPMBSA-N	303.315	0.057	70	10	DCIE	
Cc1ccc([C@H](O)CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1	161329349	PEQAQOYOVYRTDK-ZIAGYGMSSA-N	315.377	0.934	70	10	DCIE	
COCCN1CCN(C(=O)c2cnc3c(c2)ncn3C)C[C@@H]1C	160543241	MUGUKVIMAZVCMD-LBPRGKRZSA-N	317.393	0.761	70	10	DCIE	
COC[C@H](N)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1	159426829	HTJAHNXJHJXLDT-LBPRGKRZSA-N	313.379	0.040	70	10	DCIE	
COCCc1c(C(=O)OC)nnn1C[C@H](O)COC(C)C	159849218	TUGFDEFXACXTLU-JTQLQIEISA-N	301.343	0.040	70	10	DCIE	
COC1CN(S(=O)(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)C1	1879791006	APPCLVPMYKMYDR-PSASIEDQSA-N	313.130	0.875	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1C[C@H]2C=C[C@H]1C2	1974402923	SAFZZVAALSTMAW-NHCYSSNCSA-N	302.371	0.994	70	10	DCIE	
CC(C)(C)C(=O)NCC(=O)N1CCC(S(=O)(=O)F)CC1	2144732785	JIOBFXAZNOKBKU-UHFFFAOYSA-N	308.375	0.439	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2c(C)cccc2N)CCOC1	159895486	MSAIMYWXTYDDLP-CYBMUJFWSA-N	300.380	0.661	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2c(N)cccc2F)CCOC1	159911802	RZFKVCOFUARIEG-LBPRGKRZSA-N	304.343	0.492	70	10	DCIE	
COCCn1c([C@H]2C[C@H](C)CO2)nnc1S(=O)(=O)Cl	718561104	VOBNUPSAUROQIM-JGVFFNPUSA-N	309.775	0.950	70	10	DCIE	
CCO[C@H]1CC[C@@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C1	2174879584	DRXFVQXBXVUDRM-MNOVXSKESA-N	308.375	0.454	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CCC(=O)N1	2182343348	HNADFUUHBTVAQW-MRVPVSSYSA-N	321.786	0.626	70	10	DCIE	
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CC(CCS(=O)(=O)F)C1	2233192162	VBQCASAGRWNJPC-SDDRHHMPSA-N	305.371	0.949	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CCS(=O)(=O)[C@H](C)C2)n1	2280632372	UOXPZBFJFRBCEC-MRVPVSSYSA-N	323.125	0.768	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@H]1CC(F)(F)C(=O)N1	2344975792	ZEKFNVGQYUAUBC-ZCFIWIBFSA-N	313.713	0.643	70	10	DCIE	
CCNC[C@@H]1CCCN(S(=O)(=O)NCCCN(C)C)C1	217469897	IGUUOPVJRBLVRF-ZDUSSCGKSA-N	306.476	0.094	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1cc(N)ccc1F	161011807	GFWGPKUQWRNLDL-UHFFFAOYSA-N	318.370	0.570	70	10	DCIE	
CN(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	163296923	BHJNJCXUYXYVSY-UHFFFAOYSA-N	310.372	0.185	70	10	DCIE	
CC(C)Cn1ncc(NCCNC[C@H](C)O)c(Cl)c1=O	160033966	AYCWRNWNYCFPAM-JTQLQIEISA-N	302.806	0.935	70	10	DCIE	
COCCn1ncc(N2CC[C@H]([C@@H](C)N)C2)c(Cl)c1=O	160004935	JXJJFTPUDATWPW-ZJUUUORDSA-N	300.790	0.717	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC12CC(CO1)C2	716120361	BCGWTNXXCYZMDU-UHFFFAOYSA-N	306.727	0.055	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@]12COC[C@@H]1C2	718093375	CHFQGYBOPQCXRI-WRWORJQWSA-N	304.755	0.471	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C(F)(F)C(F)(F)F	2108158965	UQXFMIPYLVUHCS-UHFFFAOYSA-N	314.207	0.446	70	10	DCIE	
COc1ccc(S(=O)(=O)Cl)cc1C(=O)NC1COC1	2109041128	YJNBVVLHCYRTOF-UHFFFAOYSA-N	305.739	0.751	70	10	DCIE	
CC1(C)[C@@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1(F)F	2271496639	ZMWOYODGWBQHFM-RNFRBKRXSA-N	300.302	0.683	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCCC1(F)F	2271492764	PDDUQSYDHXWVSV-HTQZYQBOSA-N	300.302	0.827	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CC[C@@H](S(C)(=O)=O)C2)n1	2280490632	LAQGVHYROSVBHK-MRVPVSSYSA-N	323.125	0.768	70	10	DCIE	
CN1CC[C@H]1COC(=O)c1cc(S(=O)(=O)Cl)cn1C	2335383704	AASIGJSOKBHLKU-QMMMGPOBSA-N	306.771	0.814	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1[C@@H](C)C(=O)NC(N)=O	215833537	TWSVVWHPEHRBEF-YFKPBYRVSA-N	308.747	0.129	70	10	DCIE	
O=S1(=O)C[C@@H]2[C@@H](CCN2c2ncncc2[B-](F)(F)F)C1	2116139490	AAFWNWGYKGRYDT-IONNQARKSA-N	306.098	0.154	70	10	DCIE	
CCCn1c(C(COC)COC)nnc1S(=O)(=O)Cl	1910288138	PAWMXUSUQVQFEF-UHFFFAOYSA-N	311.791	0.992	70	10	DCIE	
COc1cccc(CS(=O)(=O)N[C@H]2CCC(=O)N(C)C2)c1	160058294	WEWYEMIDCGPVHF-LBPRGKRZSA-N	312.391	0.735	70	10	DCIE	
CCNc1nnc(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)s1	160749539	VOMIJADAXYYCGA-IUCAKERBSA-N	309.395	0.711	70	10	DCIE	
N#CC1CN(S(=O)(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)C1	1879798289	ZNBZMDUVLDMDFQ-VHSXEESVSA-N	308.114	1.000	70	10	DCIE	
CN(C)CC(C)(C)C(=O)NC1CCN(S(=O)(=O)F)CC1	1974395060	UOQWOVDLRIDAGC-UHFFFAOYSA-N	309.407	0.369	70	10	DCIE	
O=C(NC1CC1)[C@H]1COCCN1c1nc(Cl)nc(Cl)n1	160281598	MPAVGRGKVBIIKG-SSDOTTSWSA-N	318.164	0.662	70	10	DCIE	
COc1nn(Cc2n[nH]c(C)n2)c(OC)c1S(=O)(=O)Cl	2149826741	IQRMPDZPLAFYFB-UHFFFAOYSA-N	321.746	0.303	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCCn1cncn1	2182343224	HCXNMZSGWRRBLV-UHFFFAOYSA-N	319.774	0.639	70	10	DCIE	
CC(C)(C)n1c(-c2c[nH]c(=O)cn2)nnc1S(=O)(=O)Cl	2167123301	DISBTHJIWZILGL-UHFFFAOYSA-N	317.758	0.711	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C2C[C@H]3CC[C@@H]3C2)[nH]1	2189009978	RTSBHABRAIXLTN-HTQZYQBOSA-N	301.343	0.875	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)Cc2nnn(C)n2)n1	2280507472	CIOBJVWIBKTCFX-UHFFFAOYSA-N	301.061	0.305	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ccc2nccnc2n1	122510686	VKXMTOIXAZQTIW-UHFFFAOYSA-N	321.767	0.367	70	10	DCIE	
Cc1ccc(OCC(=O)NC[C@@H](O)Cn2ccccc2=O)cc1	218416564	KOWOTQXLPMSBBE-CQSZACIVSA-N	316.357	0.713	70	10	DCIE	
O=C(O)c1ccc(O[C@H]2CCNC2=O)c(S(=O)(=O)Cl)c1	691638573	SWKBZUKVWDXEGA-QMMMGPOBSA-N	319.722	0.580	70	10	DCIE	
Cn1cc(CCC(=O)Nc2ncc(S(=O)(=O)F)s2)nn1	1132039651	XKWUZKXBCSBILF-UHFFFAOYSA-N	319.343	0.501	70	10	DCIE	
NC(=O)CN1CCCN(C(=O)c2cccc(N)c2Cl)CC1	160281208	AFMAGUOUSNKGJQ-UHFFFAOYSA-N	310.785	0.555	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(C)C[C@H]2CCN(C)C2)cc1N	159621529	RDOFXTGVLDEAGM-NSHDSACASA-N	312.439	0.565	70	10	DCIE	
O=C(c1ncsc1C1CC1)N1CCN(S(=O)(=O)F)CC1	1974014503	JRZAHVRONGVLNW-UHFFFAOYSA-N	319.383	0.993	70	10	DCIE	
CO[C@@H]1COC[C@H]1NC(=O)c1cccc(S(=O)(=O)Cl)c1	2177286527	ZJKZJCAPOXQIJA-GHMZBOCLSA-N	319.766	0.758	70	10	DCIE	
Cc1cc(S(=O)(=O)F)ccc1O[C@@H]1CC(=O)N(C)C1=O	2191424555	UGEXAVZYLZQKOC-SNVBAGLBSA-N	301.295	0.789	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cc(Cl)c(Cl)[nH]1	2256749594	QMDGZHHDBXPTDP-UHFFFAOYSA-N	316.141	0.950	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cncc(Cl)n1	2271494943	KJWRIRDBAWVIBU-LURJTMIESA-N	308.722	0.148	70	10	DCIE	
CC[C@@H](C)N1C(=O)C[C@@H](N[C@@]2(C)CCS(=O)(=O)C2)C1=O	218517567	IUORRRCYDNSICP-BREBYQMCSA-N	302.396	0.079	70	10	DCIE	
CC(C)OC[C@H](O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1	218022739	QJENFFCGZOMFJX-HUUCEWRRSA-N	314.426	0.343	70	10	DCIE	
CN(C(=O)c1ccc2c(c1)CNCC2)[C@H]1CCS(=O)(=O)C1	217092100	DRQRHKXOXFPIQU-AWEZNQCLSA-N	308.403	0.591	70	10	DCIE	
C[C@]1(C(F)(F)F)C[C@@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	2164437696	VIALQMCAZLFOCZ-APPZFPTMSA-N	318.292	0.837	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cccc(Cl)c1O	2277531151	FHVVEUATGINKDD-UHFFFAOYSA-N	308.718	0.674	70	10	DCIE	
C[C@@H](CNCC#N)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1270516320	BJELXDGRRLFNQD-QMMMGPOBSA-N	302.331	0.152	70	10	DCIE	
CN(C(=O)c1cc(S(=O)(=O)Cl)cn1C)[C@@H]1CCOC1	161848762	GNABGBRDWWXYNH-MRVPVSSYSA-N	306.771	0.814	70	10	DCIE	
NC[C@H]1CN(c2c(Cl)cnn(CC3CCC3)c2=O)CCO1	160065437	NDFNRUMAHUMJPI-NSHDSACASA-N	312.801	0.861	70	10	DCIE	
Cc1ccc(N)c(S(=O)(=O)NCCNC(=O)C2CC2)c1C	160642878	FTLPFUQPUCOKLG-UHFFFAOYSA-N	311.407	0.690	70	10	DCIE	
CC(=O)NCc1ccc(C(=O)N(CC(N)=O)CC(C)C)s1	159673517	VQDWFLIKUOHMJD-UHFFFAOYSA-N	311.407	0.968	70	10	DCIE	
O=C([C@@H]1CC[C@@H]2[C@@H]1C2(F)F)N1CCN(S(=O)(=O)F)CC1	1974014142	FNUADODDFSPWQD-IWSPIJDZSA-N	312.313	0.636	70	10	DCIE	
CC(C)OCCNS(=O)(=O)c1ccc(C(N)=O)cc1N	159875901	WVCZFXQUHJQGMA-UHFFFAOYSA-N	301.368	0.071	70	10	DCIE	
O=S1(=O)CC[C@@H](NCc2nc([C@@H]3CCCS3)no2)C1	160589952	SRRQQKFTWHOWGF-BDAKNGLRSA-N	303.409	0.914	70	10	DCIE	
CN1CCO[C@H](c2nnc(S(=O)(=O)Cl)n2C(C)(C)C)C1	2187814586	JDLZQDQVVNPDMD-QMMMGPOBSA-N	322.818	0.964	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)Cc2ccncc2)C1	2199687650	IPYAAQMJJAPVTO-UHFFFAOYSA-N	322.383	0.533	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CCC[C@@H]1C(F)F	2285619457	KKSCBXSDBRHIAD-DTWKUNHWSA-N	314.329	0.930	70	10	DCIE	
C[C@H]1COCCN1CCOCCOCCS(=O)(=O)Cl	2269918595	JCZGCWLHZUYQLW-NSHDSACASA-N	315.819	0.309	70	10	DCIE	
Cc1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c(O)n1	2287075826	PFENGUDWDNJDKY-QMMMGPOBSA-N	303.315	0.114	70	10	DCIE	
CN(C)C(=O)CCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215913066	BRCSXKMIXXABQV-UHFFFAOYSA-N	310.719	0.197	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1CC[C@H]2C[C@H]1CO2	2164431748	RDGOXYKBZILSCP-DCAQKATOSA-N	306.359	0.064	70	10	DCIE	
O=C1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)F)nc2)N1	2166520694	BSYSMGVSRIVEKC-MRVPVSSYSA-N	301.299	0.347	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1cccc2nccn12	166472491	BWJHNAJOTOCGLH-UHFFFAOYSA-N	308.768	0.677	70	10	DCIE	
Cc1oc(C(=O)N[C@@H]2[C@H]3COC[C@H]32)cc1S(=O)(=O)Cl	2118018978	YROYDURYDPRMHJ-MTBHXBHISA-N	305.739	0.890	70	10	DCIE	
O=S(=O)(Cl)CCCN1CC[C@@H]2CS(=O)(=O)C[C@@H]21	1946002550	ZKMBXVKQJFGCDZ-BDAKNGLRSA-N	301.817	0.064	70	10	DCIE	
Cn1nnc(C(=O)N2CC(CS(=O)(=O)F)C2)c1C(F)F	1973027152	CAFDWMYSIHTASB-UHFFFAOYSA-N	312.273	0.124	70	10	DCIE	
Cc1cc(C#N)nc(S(=O)(=O)CCS(=O)(=O)Cl)c1	2027496592	JFRHPOVPXFVVJX-UHFFFAOYSA-N	308.768	0.604	70	10	DCIE	
COCCn1c(CC2CCOCC2)nnc1S(=O)(=O)Cl	2170299451	IGZMGZABVAABEH-UHFFFAOYSA-N	323.802	0.821	70	10	DCIE	
CN1CCN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)[C@@H]2CC[C@@H]21	2168348740	UQZJYFZEYHXRSK-WDEREUQCSA-N	317.798	0.861	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@H]2C[C@@H](N(C)C)C2)c1S(=O)(=O)Cl	2183821526	SDZPGFALUQXMMS-OCAPTIKFSA-N	321.786	0.895	70	10	DCIE	
Fc1cc([B-](F)(F)F)cnc1N1CCN2CCOC[C@@H]2C1	2185880399	FKCMZRMTZOIOOG-JTQLQIEISA-N	304.076	0.796	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1C[C@@H]2C[C@@H]2C1	2108071204	FEXBNKGJQCOLJM-WHUPJOBBSA-N	304.755	0.923	70	10	DCIE	
O=S(=O)(F)c1ccc(NS(=O)(=O)c2cc[nH]n2)cn1	2110218398	JSRCAEXDKJJYBU-UHFFFAOYSA-N	306.300	0.264	70	10	DCIE	
O=C([C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@H]12)N1CC(CCS(=O)(=O)F)C1	2199690541	YFFDBRKRHWWSOH-ROHXPCBUSA-N	303.355	0.558	70	10	DCIE	
CCC(CO)(CO)C(=O)Nc1ccc(S(=O)(=O)F)nc1	2279306176	XJCUKGOKQCDKED-UHFFFAOYSA-N	306.315	0.059	70	10	DCIE	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NC1CN(S(=O)(=O)F)C1	2284152330	WLZVMYKMAQKWTP-OPRDCNLKSA-N	307.391	0.262	70	10	DCIE	
CC(F)(F)C1(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CC1	2271502928	MDVGTUOVDZNPRV-ZETCQYMHSA-N	300.302	0.827	70	10	DCIE	
CSC1CC(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)C1	2268805669	LXNSLOZNFAUKQM-UHFFFAOYSA-N	307.372	0.580	70	10	DCIE	
COc1cccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1	2287074555	HAAHDAQYDZHFNV-JTQLQIEISA-N	302.327	0.714	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@H]2[C@@H](C1)C2(F)F	2287078550	IEZDKVQBPOEVCW-BGZDPUMWSA-N	312.313	0.683	70	10	DCIE	
CC[C@@H]1CC[C@@H](O)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217972784	FOIQKGQDNYPJKW-MGPQQGTHSA-N	304.456	0.751	70	10	DCIE	
CCN(CC)CCCNS(=O)(=O)c1cc(CO)n(C)c1	218662852	FIYCKYJTCBOJEL-UHFFFAOYSA-N	303.428	0.528	70	10	DCIE	
COCc1ccc(C(=O)NC[C@H]2C[C@@H]2C)cc1S(N)(=O)=O	160325101	RHLJVJAPGGNHOR-JOYOIKCWSA-N	312.391	0.866	70	10	DCIE	
CN1CCN(C(=O)NCc2cn(C)nc2C(F)(F)F)CC1=O	160763337	UIMSAPZMZXISDU-UHFFFAOYSA-N	319.287	0.423	70	10	DCIE	
C#Cc1cc(CN2CCNCC2)c(C)c(OS(=O)(=O)F)c1	1887579159	QJOYXQPUFUOYPK-UHFFFAOYSA-N	312.366	0.975	70	10	DCIE	
Cc1cc(C)n(CCC(=O)N2CC[C@H](S(=O)(=O)F)C2)n1	1968236378	VQBVSSWXWPODDI-NSHDSACASA-N	303.359	0.790	70	10	DCIE	
CC(C)N1C[C@H](C(=O)N2CC[C@@H](S(=O)(=O)F)C2)CC1=O	2144733031	LTYNSHRASGMXNK-NXEZZACHSA-N	306.359	0.144	70	10	DCIE	
O=S1(=O)[C@H]2CC[C@H]1CN(c1ncncc1[B-](F)(F)F)CC2	2172776738	TWXPNBKTSWHKEC-IUCAKERBSA-N	320.125	0.687	70	10	DCIE	
CCS(=O)(=O)NC1CN(c2ccc([B-](F)(F)F)c(C)n2)C1	2172786358	ZPCYYDYAPJUNSF-UHFFFAOYSA-N	322.141	0.572	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2C[C@@H]3OCCO[C@@H]3C2)n1	2172759097	ZHTOZRGYQZNCNX-AOOOYVTPSA-N	302.085	0.752	70	10	DCIE	
Cc1ncnc(N2CC(C)(CS(C)(=O)=O)C2)c1[B-](F)(F)F	2173180557	XEKRZLZTQRMBLV-UHFFFAOYSA-N	322.141	0.710	70	10	DCIE	
Cc1c(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)cnn1C	692883069	JMPVXECNNPZGFI-UHFFFAOYSA-N	319.730	0.809	70	10	DCIE	
O=C(NCCOC(F)F)c1cc(S(=O)(=O)Cl)c[nH]1	398148066	AIDGSSARZHUZQJ-UHFFFAOYSA-N	302.686	0.911	70	10	DCIE	
COc1nc(N(C)CC2[C@H]3COC[C@H]23)ncc1[B-](F)(F)F	2174642415	NLKHJXAXMUBCRB-RKDXNWHRSA-N	302.085	0.868	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@H]1COCCCO1	2182345190	XYEMICSXOMDNPP-VIFPVBQESA-N	324.786	0.763	70	10	DCIE	
CCn1c([C@@]23COC[C@H]2C3(F)F)nnc1S(=O)(=O)Cl	2105598522	NGOCILVYLOZHEF-SVGQVSJJSA-N	313.713	0.759	70	10	DCIE	
CCOCCOCCOCCOS(=O)(=O)C(F)(F)F	2209088944	NQGCONLMAJHUSZ-UHFFFAOYSA-N	310.290	0.922	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC12CC(F)(F)C2	2287080370	ZJPOAYLHNIMSKP-YUMQZZPRSA-N	312.313	0.827	70	10	DCIE	
Cc1nn(C[C@H]2COCCN2C)c(C)c1S(=O)(=O)Cl	2267857554	HFEVVSXKLDYDAL-JTQLQIEISA-N	307.803	0.758	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@@H]1C[C@@H]2COC[C@@H]2O1	724637218	SHKYLMPLEZSKNZ-UTLUCORTSA-N	306.771	0.923	70	10	DCIE	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(S(=O)(=O)F)C1	1897481312	LMEZDXMLNGVDJS-VIFPVBQESA-N	324.374	0.800	70	10	DCIE	
CN(CCOCCNC(=O)OC(C)(C)C)S(=O)(=O)Cl	1953572609	CWSBAJBRQHSTEL-UHFFFAOYSA-N	316.807	0.943	70	10	DCIE	
O=S(=O)(F)c1ccc(COc2ccc(B(O)O)cc2)cc1	864048142	ANGUUBAJZDOSLU-UHFFFAOYSA-N	310.111	0.604	70	10	DCIE	
COCCn1c([C@H]2C[C@H]2COC)nnc1S(=O)(=O)Cl	2133500428	LIKNPIJKDGTGRB-YUMQZZPRSA-N	309.775	0.602	70	10	DCIE	
CC[C@@]1(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CCCO1	1923166625	BNXWACVTJARXHS-NSHDSACASA-N	305.331	0.398	70	10	DCIE	
Cn1cc(S(=O)(=O)Nc2cc(O)cc(F)c2)cc1C(N)=O	161302079	SZITYSJCQSCEJN-UHFFFAOYSA-N	313.310	0.770	70	10	DCIE	
C[C@H]1OCC[C@@H]1N(C)c1nc(Cl)nc(N2CCOCC2)n1	160465055	MNMXLFNIZFBARO-ZJUUUORDSA-N	313.789	0.975	70	10	DCIE	
CCC[C@@H](C(=O)N1CCOC[C@@H]1C(=O)NC1CC1)C(N)=S	159783138	HCORPFFUVBBJBP-GHMZBOCLSA-N	313.423	0.195	70	10	DCIE	
COCCn1c(CC[C@H]2CCCO2)nnc1S(=O)(=O)Cl	158077997	BAIWZRSLXHMQSS-SECBINFHSA-N	323.802	0.964	70	10	DCIE	
COCCn1c(C[C@H]2CC[C@@H](C)O2)nnc1S(=O)(=O)Cl	2161088143	CWKGECCYNFLXFI-RKDXNWHRSA-N	323.802	0.962	70	10	DCIE	
COCCn1c([C@@]23COC[C@@H]2C3)nnc1S(=O)(=O)Cl	689147451	JVDUYHDZBDEUSV-XVKPBYJWSA-N	307.759	0.140	70	10	DCIE	
CCn1ncc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)n1	2172482767	QAMNLKUKGSNSBA-UHFFFAOYSA-N	320.718	0.379	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)CCc2ccccc2)C1	2199686498	PQNUPTLCDXBKHL-UHFFFAOYSA-N	321.395	0.790	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CCOCC1CC1	708423772	PRBMUQIYDCIQSL-UHFFFAOYSA-N	308.743	0.303	70	10	DCIE	
COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1S(=O)(=O)F	713303019	VYHMJJDVFDVBMK-SFYZADRCSA-N	311.331	0.694	70	10	DCIE	
O=C(N[C@H]1CCOC[C@H]1F)c1cc(S(=O)(=O)Cl)c[nH]1	2130186717	GCFSXCXJMXPCFF-SFYZADRCSA-N	310.734	0.799	70	10	DCIE	
CNC[C@@H]1COCCN1c1ccc(S(=O)(=O)N(C)C)cc1	160423813	GVVARZREERCSLK-CYBMUJFWSA-N	313.423	0.362	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1C(=O)c1cc(F)c(F)c(F)c1	159506856	RSWSQSSOSVOIIY-JTQLQIEISA-N	302.252	0.691	70	10	DCIE	
Cc1cc(Cl)nc(C(=O)NCC2CN(S(=O)(=O)F)C2)c1	1974054883	JUDLIKQWGUIAPI-UHFFFAOYSA-N	321.761	0.919	70	10	DCIE	
CCS(=O)(=O)[C@H]1CSCCN1C(=O)[C@H](N)CCCOC	159494750	XVDBMAKZFQIQMZ-MNOVXSKESA-N	324.468	0.077	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1ccccc1N	161009068	IAXBZBMAMOVVON-UHFFFAOYSA-N	300.380	0.431	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@@]23CC3(F)F)[nH]1	2172026686	QCZQUAGWGKBVSF-SSDLBLMSSA-N	309.269	0.484	70	10	DCIE	
NC[C@@H]1CCCN1C(F)(F)COS(=O)(=O)C(F)(F)F	852741387	RXJVPPPDLTUYMU-LURJTMIESA-N	312.260	0.869	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2[C@H]3CCO[C@H]32)c1S(=O)(=O)Cl	2176535076	QYTPYTDEWPGGHQ-SLBFFKMLSA-N	319.770	0.417	70	10	DCIE	
O=C([C@@H]1CC12CC(F)(F)C2)N1CCN(S(=O)(=O)F)CC1	2189408112	FROUFULLKASPKV-QMMMGPOBSA-N	312.313	0.780	70	10	DCIE	
CO[C@@H]1C[C@H]1CN(C)C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2188246576	MGZHJEVHVNWFGG-JGVFFNPUSA-N	321.786	0.753	70	10	DCIE	
NC(=O)Nc1ccc(C(=O)N2CC(S(=O)(=O)F)C2)cc1	2199689261	KIFFTIJWWWTSQZ-UHFFFAOYSA-N	301.299	0.301	70	10	DCIE	
C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C[C@@H](C)O1	2287076988	USDGLFDFUFOFNN-ZDCRXTMVSA-N	308.375	0.595	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC[C@@H]2[C@H]1C2(F)F	2359646730	BWODEWYCZXHGPQ-KDXUFGMBSA-N	312.313	0.683	70	10	DCIE	
C[C@@H](COc1ccc(S(=O)(=O)Cl)cc1C(=O)O)C(N)=O	215613883	OAUFCYPYNIPXKP-LURJTMIESA-N	321.738	0.813	70	10	DCIE	
O=C1CN(C(=O)/C=C\c2ccc(Br)o2)CC(=O)N1	217757276	VYASDOVLSGLUJS-RQOWECAXSA-N	313.107	0.540	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2COC[C@@H]2C)c1S(=O)(=O)Cl	699820339	HOPDFEZAGQCCGV-XPUUQOCRSA-N	321.786	0.664	70	10	DCIE	
COCCN[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1490928991	XIICERLDHFITSE-KYZUINATSA-N	319.358	0.170	70	10	DCIE	
CC(C)CNCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1731953437	GKSALKJTSHVKNQ-UHFFFAOYSA-N	305.375	0.991	70	10	DCIE	
O=C(NCC(=O)N1CC[C@H](N2CCCC2)C1)c1cccnc1	161342266	HQQFTPPNHMHOLI-AWEZNQCLSA-N	302.378	0.508	70	10	DCIE	
COC(=O)Cc1ccc(S(=O)(=O)N[C@@]2(C)CCOC2)cc1	160046658	OYFZYQWBVDJRJR-AWEZNQCLSA-N	313.375	0.859	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccc(F)c(CN)c2)CCOC1	160171603	ICGYLHFOTPZZEQ-ZDUSSCGKSA-N	318.370	0.368	70	10	DCIE	
COCCC[C@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O	160310971	AVYAUMYWTCRODI-JTQLQIEISA-N	316.379	0.488	70	10	DCIE	
COc1cc(N)cc(-c2nnnn2[C@@H]2CCS(=O)(=O)C2)c1	159848742	RVJJQKOMYVCTBE-SNVBAGLBSA-N	309.351	0.291	70	10	DCIE	
C[C@H]1CCC[C@@H]1CS(=O)(=O)NCCS(=O)(=O)Cl	1944911079	CNMICBYTRUITHS-DTWKUNHWSA-N	303.833	0.911	70	10	DCIE	
CC(C)(C)OC(=O)NCC(=O)N1CCC(S(=O)(=O)F)CC1	1885429370	SIZYGWFRZUUVKD-UHFFFAOYSA-N	324.374	0.801	70	10	DCIE	
CNc1ccccc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001429	SXBWLTISEYHCMB-UHFFFAOYSA-N	301.343	0.700	70	10	DCIE	
CC(C)n1ccc(C(=O)NCC2CN(S(=O)(=O)F)C2)n1	1974054670	GXNRNAGSYZGEMI-UHFFFAOYSA-N	304.347	0.340	70	10	DCIE	
Cc1cn(C)nc1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394350	HUMVLUKUDAQDNJ-UHFFFAOYSA-N	304.347	0.137	70	10	DCIE	
Cc1cnn(C)c1Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	2154308021	QCRGNYLRHXYVSD-UHFFFAOYSA-N	319.730	0.809	70	10	DCIE	
Cc1cc(N2CCN(S(C)(=O)=O)CC2)ncc1[B-](F)(F)F	2172772142	JMKLXSUCWRSSAP-UHFFFAOYSA-N	322.141	0.526	70	10	DCIE	
O=S1(=O)CC[C@@]2(CCCN2c2ncc([B-](F)(F)F)cn2)C1	2172786037	OVRSDQUQDGUUJL-NSHDSACASA-N	320.125	0.689	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1cnc(Cl)nc1	2169028628	VGMNNTPCUUDNSN-UHFFFAOYSA-N	322.749	0.539	70	10	DCIE	
CCc1conc1C(=O)NC1CCN(S(=O)(=O)F)CC1	2195427609	GUSLNHWBHAUPAH-UHFFFAOYSA-N	305.331	0.646	70	10	DCIE	
CN(C)C(=O)COc1ccc(C(=O)O)cc1S(=O)(=O)F	2191424839	XEKRKARKUIWYRN-UHFFFAOYSA-N	305.283	0.510	70	10	DCIE	
CCc1ncc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)[nH]1	2088469150	JZYAUUILVJGQMR-SSDOTTSWSA-N	311.360	0.034	70	10	DCIE	
C#CCOCCn1nc([N+](=O)[O-])c(S(=O)(=O)Cl)c1C	2094359487	NOWVAZKTZRRDGO-UHFFFAOYSA-N	307.715	0.677	70	10	DCIE	
COC[C@]12CN(c3ncncc3[B-](F)(F)F)C[C@H]1CCO2	2239905144	VFNFJMHIVXZXHC-BXKDBHETSA-N	302.085	0.773	70	10	DCIE	
O=C(Cc1ccc(F)c(F)c1)NC1CN(S(=O)(=O)F)C1	2284153232	IYKFDGIBPYULHN-UHFFFAOYSA-N	308.281	0.522	70	10	DCIE	
CC(C)(C)OC(=O)N[C@@H]1COCCN(S(=O)(=O)Cl)C1	1953574065	RJQGTRHJCYMWAH-QMMMGPOBSA-N	314.791	0.696	70	10	DCIE	
C#CC#CCNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	2117449862	GGRXJGPSNQPQJR-UHFFFAOYSA-N	301.320	0.260	70	10	DCIE	
C[C@@H]1CCC[C@H]1CS(=O)(=O)N1CC(CS(=O)(=O)F)C1	2134974779	KBQOCHSXZWYUNS-KOLCDFICSA-N	313.416	0.984	70	10	DCIE	
CN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)C1CC1	1581012247	RMYOXLAYWIXJMW-UHFFFAOYSA-N	317.342	0.271	70	10	DCIE	
CCN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C[C@H](C)O	1663427239	ZJXKQEDXSXDZFR-VIFPVBQESA-N	321.374	0.105	70	10	DCIE	
CC(C)N1C[C@H](C)[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1	161406142	HNHCMJQKGSBZFF-QWRGUYRKSA-N	310.398	0.162	70	10	DCIE	
CNC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H](O)C2CC2)cc1	161449347	DMJJHEJRZOEPDD-CYBMUJFWSA-N	312.391	0.438	70	10	DCIE	
CS(=O)(=O)c1csc(C(=O)NCc2csc(=O)[nH]2)c1	160303013	NBYOLGSNLOPUHD-UHFFFAOYSA-N	318.401	0.831	70	10	DCIE	
COCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	166156386	DKGULFNWYCYJFV-UHFFFAOYSA-N	311.356	0.612	70	10	DCIE	
CC1(C)CN(C(=O)COCC(F)(F)F)CCS1(=O)=O	159918890	IJOGPGXVDUTIFW-UHFFFAOYSA-N	303.302	0.601	70	10	DCIE	
Cc1cnc(Cl)c(C(=O)NCC2CN(S(=O)(=O)F)C2)c1	1974055889	XLGDMZKTUKYMEH-UHFFFAOYSA-N	321.761	0.919	70	10	DCIE	
CO[C@]1(CNC[C@H]2CCCN(S(C)(=O)=O)C2)CCOC1	160339767	CBRATBHNJYQATK-OLZOCXBDSA-N	306.428	0.053	70	10	DCIE	
CCOCCS(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2028131127	SGFBUNNJECEUFQ-UHFFFAOYSA-N	303.377	0.116	70	10	DCIE	
CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)F)cc1C(=O)O	2191434656	MPGOAEUREBMFSY-LURJTMIESA-N	305.283	0.556	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@@H]1C(F)(F)F	2268795898	JLQNOLWFQGYDDF-RQJHMYQMSA-N	304.265	0.590	70	10	DCIE	
Cc1nc(Cl)cc(C(=O)NC2CN(S(=O)(=O)F)C2)n1	2268805144	IAENAKWUUWGPQG-UHFFFAOYSA-N	308.722	0.067	70	10	DCIE	
C[C@H](Oc1ccc(S(=O)(=O)Cl)cc1F)C(=O)NC(N)=O	216002219	NLKNDXGBOPYVJS-YFKPBYRVSA-N	324.717	0.715	70	10	DCIE	
O=C(NCC#C[C@@H]1CCCCO1)c1cc(S(=O)(=O)F)c[nH]1	1123983253	KTHIHCOMLZUCTP-JTQLQIEISA-N	314.338	0.975	70	10	DCIE	
CC(=O)NCCC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1735090110	AYPSXFLJAGURMD-QMMMGPOBSA-N	319.358	0.708	70	10	DCIE	
CCc1ccc(N)cc1S(=O)(=O)NCCNC(=O)N(C)C	160695337	NXQVEQTYEMRBOW-UHFFFAOYSA-N	314.411	0.381	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N[C@H]2CCCOC2)c1	163322534	QRIBZLZMFUTKLF-VIFPVBQESA-N	323.367	0.802	70	10	DCIE	
Cc1nn(C)cc1Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	2143484767	WWXBKUQFMQETEN-UHFFFAOYSA-N	319.730	0.809	70	10	DCIE	
COC1(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)CCOCC1	1968235160	ITEVITFAVWHLHW-JTQLQIEISA-N	309.359	0.472	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)N2CCCC2)C1	2028132177	YGRJOOTVIJFADI-VIFPVBQESA-N	300.377	0.091	70	10	DCIE	
CO[C@@H]1CC[C@H]1CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2186930757	YCUPFTGHCLZUPL-JGVFFNPUSA-N	321.786	0.800	70	10	DCIE	
O=C([C@H]1CC12CCOCC2)N1CC(CCS(=O)(=O)F)C1	2199698274	NTUIJBCXXIMFPG-LLVKDONJSA-N	305.371	0.951	70	10	DCIE	
Cc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)c(Cl)n1	2268807399	MFBLXJIXZCWKKE-UHFFFAOYSA-N	307.734	0.672	70	10	DCIE	
CN([C@H](CN)c1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1	218432858	XPWANWYXDYLZFV-ZIAGYGMSSA-N	310.419	0.740	70	10	DCIE	
O=C(c1cc(Br)n[nH]1)N1CC(S(=O)(=O)F)C1	1992832024	RNXXQXIWBBCBGY-UHFFFAOYSA-N	312.120	0.296	70	10	DCIE	
O=S(=O)(F)N1CCN(S(=O)(=O)[C@H]2CCC[C@@H]2F)CC1	2118895262	NEBGLJVWLISNNK-IUCAKERBSA-N	318.367	0.039	70	10	DCIE	
O=C(c1csc2cncn12)N1CC(CS(=O)(=O)F)C1	2134971545	POTRCGMZQINPDM-UHFFFAOYSA-N	303.340	0.767	70	10	DCIE	
C[C@H](CCCNCC#N)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1571309064	WJOALHQHRZCVRL-SECBINFHSA-N	316.358	0.685	70	10	DCIE	
CN(C)c1cccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)n1	161402168	MFKNVVDAAHOBHL-GFCCVEGCSA-N	315.381	0.553	70	10	DCIE	
Cc1ccc(S(N)(=O)=O)c(C(=O)N(C)[C@H]2CCO[C@H]2C)c1	160509815	QGMUEBHUVJGCEX-JQWIXIFHSA-N	312.391	0.892	70	10	DCIE	
CCCS(=O)(=O)CCn1cc(S(=O)(=O)Cl)nc1C	233267218	XSGJSUMWBARKOA-UHFFFAOYSA-N	314.816	0.944	70	10	DCIE	
C#CCN(CC#C)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	1969912390	AICADMNXFIJQTQ-UHFFFAOYSA-N	315.347	0.602	70	10	DCIE	
CNS(=O)(=O)c1ccc(NC[C@H]2COCCO2)cc1N	159582498	DLEAWQHCJJWRCX-JTQLQIEISA-N	301.368	0.004	70	10	DCIE	
Cn1nnnc1COc1c(F)cc(F)cc1S(=O)(=O)F	2191428424	NKYFQJJFHBQPDF-UHFFFAOYSA-N	308.241	0.726	70	10	DCIE	
C[C@H]1O[C@@]2(C(=O)NCC3CN(S(=O)(=O)F)C3)CC[C@H]1C2	2199143758	NMNXOZQUFCNWOV-QRTLGDNMSA-N	306.359	0.206	70	10	DCIE	
Cc1ccc(C(=O)N2CC(CCS(=O)(=O)F)C2)c(O)n1	2199692344	IXXANRZCMKHEPT-UHFFFAOYSA-N	302.327	0.857	70	10	DCIE	
CNC(=O)COc1ccc(C(=O)O)cc1S(=O)(=O)Cl	215641629	ZJVNFSBKYASQKO-UHFFFAOYSA-N	307.711	0.437	70	10	DCIE	
C#CCN[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C	939158975	TUKZTXVNMPAYKU-JOYOIKCWSA-N	313.354	0.356	70	10	DCIE	
COc1cc(NC(=O)[C@H]2OCC[C@H]2C)ccc1S(N)(=O)=O	160278649	IDYSQSMRVLNYLO-PELKAZGASA-N	314.363	0.706	70	10	DCIE	
NCc1c(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)nc2sccn12	160479892	NOACRPNWXOCMKL-ZJUUUORDSA-N	305.407	0.959	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H](C)[C@@H]2CCOC2)c1S(=O)(=O)Cl	167000126	XIJDTQCQKHZLQT-HTRCEHHLSA-N	321.786	0.800	70	10	DCIE	
C[C@@H]([C@@H](C)N(C)CCCS(=O)(=O)Cl)S(C)(=O)=O	2004031852	MFNULAZRUOCJBN-BDAKNGLRSA-N	305.849	0.699	70	10	DCIE	
O=C(Cc1ccccc1O)NCC1CN(S(=O)(=O)F)C1	1974060119	QZLQTPBXZDRGPY-UHFFFAOYSA-N	302.327	0.197	70	10	DCIE	
COc1ccc([B-](F)(F)F)cc1OC[C@H]1CCS(=O)(=O)N1	2146187755	JNMREMFGAQAZFL-SECBINFHSA-N	324.109	0.820	70	10	DCIE	
O=S(=O)(Cl)c1nnc([C@@H]2CO[C@H]3COC[C@@H]32)n1C1CC1	2158057380	OIVNWEMFZQTECF-HLTSFMKQSA-N	319.770	0.669	70	10	DCIE	
O=[N+]([O-])c1nn(CCCc2ncno2)cc1S(=O)(=O)Cl	700429244	SAEKXHPQHVHMPL-UHFFFAOYSA-N	321.702	0.735	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1CCN(C2COC2)CC1	2172775758	GZWFCXVJRWWOCE-UHFFFAOYSA-N	300.113	0.965	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CC1(S(C)(=O)=O)CC1	2048867587	VZGZLGRZIORORF-UHFFFAOYSA-N	312.800	0.696	70	10	DCIE	
O=C(COc1ccccc1S(=O)(=O)Cl)N1CCOCC1	103603864	ITHPPGLOBWVZSG-UHFFFAOYSA-N	319.766	0.852	70	10	DCIE	
Cc1nn(CCS(C)(=O)=O)c(C)c1S(=O)(=O)Cl	109754741	DFWMPKLPIXKPME-UHFFFAOYSA-N	300.789	0.472	70	10	DCIE	
COCCn1c(Cn2ccnc2)nnc1S(=O)(=O)Cl	311845721	OJDXBHXTCBDUFD-UHFFFAOYSA-N	305.747	0.097	70	10	DCIE	
COc1ccc(C(=O)NC[C@H](O)Cn2ccccc2=O)cn1	218448403	HOSRBEJGKORGKH-LBPRGKRZSA-N	303.318	0.043	70	10	DCIE	
CCS(=O)(=O)[C@@H]1CSCCN1C(=O)N1CCOCC1	160660443	HFQRJQZGKWFORW-SNVBAGLBSA-N	308.425	0.248	70	10	DCIE	
O=S1(=O)C[C@H]2CCN(c3ncccc3[B-](F)(F)F)[C@H]2C1	2116148858	VZYXDZNNWHWWDQ-SCZZXKLOSA-N	305.110	0.759	70	10	DCIE	
CC(C)[C@@H]1CC[C@H](O)[C@@H](N2CCN(S(C)(=O)=O)CC2)C1	217967799	XPLIYJNRMLNAFE-RDBSUJKOSA-N	304.456	0.749	70	10	DCIE	
O=C(N[C@H]1c2ccccc2C[C@H]1O)N[C@@H]1CCc2ncnn2C1	161146478	CWXJYVHEHHLFDQ-KYOSRNDESA-N	313.361	0.550	70	10	DCIE	
CNC(=O)c1ccc(S(=O)(=O)N(C)[C@H](CN)C2CC2)cc1	159914056	PQBSAAWYNNWYBK-CYBMUJFWSA-N	311.407	0.404	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCCC[C@H]2C(N)=O)cc1N	159598413	OUBQZTAFEAPQBV-NSHDSACASA-N	312.395	0.021	70	10	DCIE	
C[C@H]1CCS[C@@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394374	IASZCMLFLIUYJP-WPRPVWTQSA-N	310.416	0.923	70	10	DCIE	
COc1nn(CCN2CCCC2)c(OC)c1S(=O)(=O)Cl	2149826746	IUXSCJXGBJGHAU-UHFFFAOYSA-N	323.802	0.924	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1	163299862	BCTHYAAMINUKLP-SECBINFHSA-N	323.367	0.802	70	10	DCIE	
CN(C[C@@H]1CO[C@H]2COC[C@@H]12)c1ncncc1[B-](F)(F)F	2172772404	MZTJEPWWMWHWFX-YWVKMMECSA-N	302.085	0.629	70	10	DCIE	
CCNC(=O)[C@H](C)n1nc([N+](=O)[O-])c(S(=O)(=O)Cl)c1C	394440719	XOSJSVAPIKNSMM-LURJTMIESA-N	324.746	0.724	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2[C@H]3OCC[C@@H]32)c1S(=O)(=O)Cl	2176535073	QYTPYTDEWPGGHQ-FKBGGTMYSA-N	319.770	0.417	70	10	DCIE	
Cc1[nH]nc(C(=O)NCC2(C)COC2)c1S(=O)(=O)Cl	2097864679	AONRGSUEMREVFI-UHFFFAOYSA-N	307.759	0.412	70	10	DCIE	
C[C@@H](CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1)[S@](C)=O	135262713	NLEHLXBXVSYMDH-QVHKOIDPSA-N	312.800	0.439	70	10	DCIE	
CC1(C)[C@H]2CO[C@]1(C(=O)NCC1CN(S(=O)(=O)F)C1)C2	2359847689	REYRUTHOKKTAJE-SKDRFNHKSA-N	306.359	0.064	70	10	DCIE	
COCCNC(=O)N(CCN1CCOCC1)C1CCOCC1	217285376	XRISDPGQUMFFLG-UHFFFAOYSA-N	315.414	0.156	70	10	DCIE	
COC(=O)[C@@H](O)CCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC	217826753	FHNHNQLIBOLPHC-UWVGGRQHSA-N	319.354	0.757	70	10	DCIE	
Cc1cc(C)c(C(=O)NCC2CN(S(=O)(=O)F)C2)cn1	2164432553	XUKWTIQXJAHEMZ-UHFFFAOYSA-N	301.343	0.574	70	10	DCIE	
COC(=O)C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)F)cc1	838092638	IXKFVSQPJDZEPZ-ZETCQYMHSA-N	318.278	0.632	70	10	DCIE	
CCNC(=O)NC(=O)[C@H](C)n1cnc(S(=O)(=O)Cl)c1	215830997	KTQKSJSZYJYVDL-LURJTMIESA-N	308.747	0.217	70	10	DCIE	
Cc1[nH]nc(C(=O)OCCCN(C)C)c1S(=O)(=O)Cl	2119253626	KUYWHCHLNFILCD-UHFFFAOYSA-N	309.775	0.754	70	10	DCIE	
CC[C@H](F)C(=O)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1736849380	QDISUYJDRTYYIE-QMMMGPOBSA-N	323.321	0.267	70	10	DCIE	
C[C@]1(NC(=O)c2ccc3c(c2)CNCC3)CCS(=O)(=O)C1	160752586	QVKYFIYDXUUSJZ-HNNXBMFYSA-N	308.403	0.639	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)[C@H](C(N)=S)C(C)C	159778962	OOOSZPBNJXAFKX-QWRGUYRKSA-N	315.439	0.298	70	10	DCIE	
COCCn1c(C(C)(C)CN(C)C)nnc1S(=O)(=O)Cl	2148795840	QXCFMCNJNHZXCW-UHFFFAOYSA-N	324.834	0.691	70	10	DCIE	
CC[C@@]1(NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)CCOC1	378813465	ANONWCYMALJWPY-LLVKDONJSA-N	321.786	0.945	70	10	DCIE	
Cc1[nH]nc(C(=O)OC2CCN(C)CC2)c1S(=O)(=O)Cl	2198024782	MPKNDVJRXGCEIZ-UHFFFAOYSA-N	321.786	0.897	70	10	DCIE	
CC[C@@H](C#N)S(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2110223496	XXDOGEBCSNJMFQ-QMMMGPOBSA-N	307.328	0.784	70	10	DCIE	
CS(=O)(=O)[C@@H]1CCC[C@]12CC(=O)N2S(=O)(=O)Cl	114486250	YNSAIYAPVIFJFW-SVRRBLITSA-N	301.773	0.038	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@H]1C[C@@H]2COC[C@@H]2O1	724637214	SHKYLMPLEZSKNZ-BBBLOLIVSA-N	306.771	0.923	70	10	DCIE	
COCc1nn(Cc2ccc(S(=O)(=O)F)cc2)c(=O)o1	857221505	CYAHBWVNRACADV-UHFFFAOYSA-N	302.283	0.689	70	10	DCIE	
C[C@@H](c1nnc(S(=O)(=O)Cl)n1C1CC1)S(C)(=O)=O	168027205	HXSAQOFSGBXAKQ-YFKPBYRVSA-N	313.788	0.646	70	10	DCIE	
CN1CC[C@@H](Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)C1	691589395	CODFEOALLNSLQR-SSDOTTSWSA-N	308.747	0.671	70	10	DCIE	
NN[C@H](Cc1ccc(Br)cn1)[C@@H]1COCCO1	161122459	OVDHBFDFFSWDFO-MNOVXSKESA-N	302.172	0.634	70	10	DCIE	
COCc1ccc(C(=O)NC[C@H]2C[C@H]2C)cc1S(N)(=O)=O	160324992	RHLJVJAPGGNHOR-BXKDBHETSA-N	312.391	0.866	70	10	DCIE	
CCN(c1cnn(CC(=O)OC)c(=O)c1Cl)[C@H]1CCNC1	159383288	LXJFQNUIOFKRHD-VIFPVBQESA-N	314.773	0.258	70	10	DCIE	
COc1nc(N2C[C@@H]3OCCO[C@H]3C2)ncc1[B-](F)(F)F	2172758830	VWAJEBWOQQOFQQ-IUCAKERBSA-N	304.057	0.144	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)[C@@H]2CC2(F)F)n1	2112525401	KMOWRLZZDKTXBG-RXMQYKEDSA-N	319.286	0.228	70	10	DCIE	
C[C@@H]1C[C@@H]1CS(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2112723938	BRCORFMQXMLOJY-RKDXNWHRSA-N	314.404	0.241	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cc2c(s1)CCC2	2268804645	SSMJHEFXTAXWCW-UHFFFAOYSA-N	304.368	0.865	70	10	DCIE	
CS(=O)(=O)N1CCN(C(=O)N/C=C/C2CCCC2)CC1	218620160	BLRULRRZAPMTAW-VOTSOKGWSA-N	301.412	0.977	70	10	DCIE	
CC(C)c1nc(S(=O)(=O)Cl)cn1CC(=O)NC(N)=O	215847416	KUNIDBSCBQUJKN-UHFFFAOYSA-N	308.747	0.129	70	10	DCIE	
O=S1(=O)C[C@H]2CC(OS(=O)(=O)C(F)(F)F)C[C@@H]2C1	1953259101	PKRMAVAOMDLOHM-PHDIDXHHSA-N	308.299	0.676	70	10	DCIE	
CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(S(=O)(=O)F)CCO2	1955897124	ACFFOIBAKZMUEE-GFCCVEGCSA-N	324.374	0.913	70	10	DCIE	
O=C(Cc1ccc(S(=O)(=O)Cl)s1)N[C@H]1[C@H]2COC[C@H]21	2118017332	VHKCNICNXQLBEZ-AKZRSSKFSA-N	321.807	0.979	70	10	DCIE	
CN1CCO[C@H](C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)C1	159632621	RMWRPOCLHUOZSH-YDHLFZDLSA-N	324.377	0.261	70	10	DCIE	
COc1ccc(C(=O)NCC(=O)N2C[C@@H]3CCC[C@H](C2)N3)cc1	159855572	IWDJVEGBMKBKQR-OKILXGFUSA-N	317.389	0.778	70	10	DCIE	
COC(=O)Cn1ncc(N2C[C@@H](CN)C[C@H]2C)c(Cl)c1=O	159982596	ZNHFGTWSJZYHKG-RKDXNWHRSA-N	314.773	0.243	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CCOC1	161075409	NOBOKEPLJMULMR-NSHDSACASA-N	322.770	0.112	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CC[C@@H]3OCCO[C@@H]3C2)n1	2172767950	BBKNWQMKGJIIHL-WDEREUQCSA-N	302.085	0.834	70	10	DCIE	
Cc1[nH]nc(C(=O)N2CCN(C)[C@@H]3C[C@@H]32)c1S(=O)(=O)Cl	2168372709	RTLXCHUGGREVOX-SFYZADRCSA-N	318.786	0.174	70	10	DCIE	
Cc1cnc(N2CCN3CCOC[C@@H]3C2)c([B-](F)(F)F)c1	2185881028	HNMTWTRTAMMUHH-NSHDSACASA-N	300.113	0.965	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ccnc2c1CCO2	2258450250	IUFZDMCTOPTMOL-UHFFFAOYSA-N	311.768	0.359	70	10	DCIE	
O=S(=O)(N1CC[C@H]([B-](F)(F)F)C1)N1CCC[C@@H](O)C1	2319746184	WDFYYWDZMKFMJC-DTWKUNHWSA-N	301.119	0.611	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1C[C@@H]2C[C@@H]2CO1	2355828737	SQZIYCCOELTSSK-IQJOONFLSA-N	306.359	0.206	70	10	DCIE	
O=C(Cc1ccc(F)cc1F)NC[C@H](O)Cn1ccccc1=O	218446264	ZWBOTOIHSKEUGZ-ZDUSSCGKSA-N	322.311	0.846	70	10	DCIE	
CCO[C@@H]1CCN(C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	701750954	LPFWGEBBNMMWOA-MRVPVSSYSA-N	321.786	0.897	70	10	DCIE	
Cc1ncnc(N(C)[C@H]2CCS(=O)(=O)C2)c1[B-](F)(F)F	2116128211	DLFLQZDBUWISKF-QMMMGPOBSA-N	308.114	0.463	70	10	DCIE	
CCN(C)C(=O)CNc1cc(N)cc(S(N)(=O)=O)c1C	218425911	GXEVQMUHIQDQGQ-UHFFFAOYSA-N	300.384	0.115	70	10	DCIE	
Cc1cc(S(=O)(=O)NCCNC(=O)C2CC2)cc(N)c1F	160643443	OEMDJVMFNWDWAW-UHFFFAOYSA-N	315.370	0.521	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NC[C@H]2CN(C)CCO2)c1F	159546767	YFEYVHIFZBYCCC-NSHDSACASA-N	317.386	0.325	70	10	DCIE	
O=C(CCCC(F)(F)F)NCC1CN(S(=O)(=O)F)C1	1974058923	IWKMJLKPOXRZIT-UHFFFAOYSA-N	306.281	0.981	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccc(O)cc1F	1974058817	IBMBKFQPAWIORF-UHFFFAOYSA-N	306.290	0.407	70	10	DCIE	
Cc1ccc(C(=O)N2CCN(S(=O)(=O)F)CC2)c(O)n1	1974001602	XBCQMNSUITUHOW-UHFFFAOYSA-N	303.315	0.068	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1C(F)(F)C12CC2	1974394464	JKCSCLSFPXKTMR-MRVPVSSYSA-N	312.313	0.827	70	10	DCIE	
CCNCCCn1cc(S(=O)(=O)NC[C@H]2C[C@H]2C)cn1	160902652	NYDFEPFKZNMXFU-VXGBXAGGSA-N	300.428	0.817	70	10	DCIE	
COc1nn(Cc2cncn2C)c(OC)c1S(=O)(=O)Cl	2149827860	ULZSRNBRNRXROT-UHFFFAOYSA-N	320.758	0.610	70	10	DCIE	
CN(C[C@]12CCC[C@@H]1CS(=O)(=O)C2)S(=O)(=O)Cl	2023523426	KJMVPMXEZDRLJT-BDAKNGLRSA-N	301.817	0.617	70	10	DCIE	
Cc1nc(N(C)CCN(C)S(C)(=O)=O)ccc1[B-](F)(F)F	2172783280	CGLKTXPFVUOGTG-UHFFFAOYSA-N	324.157	0.772	70	10	DCIE	
C[C@@H]1CCC[C@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)O1	2235199208	QHIJCWOQFDIYTF-HTQZYQBOSA-N	305.331	0.396	70	10	DCIE	
Cn1c(S(=O)(=O)Cl)nnc1[C@H]1C[C@H](S(C)(=O)=O)C1	2257552174	VSHTZDZSYJQBLT-IZLXSQMJSA-N	313.788	0.033	70	10	DCIE	
CC(F)(F)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271488370	DRGJFXAYPCRCCY-BIIVOSGPSA-N	300.302	0.683	70	10	DCIE	
CC1(C)CC(CS(=O)(=O)NC2CN(S(=O)(=O)F)C2)C1	2268778045	LAXGRADAMDQANM-UHFFFAOYSA-N	314.404	0.241	70	10	DCIE	
CC(C)n1nccc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287078685	QAMDOTGPTUMSEV-VIFPVBQESA-N	304.347	0.482	70	10	DCIE	
CN(C)S(=O)(=O)NCC(=O)N1CC[C@@](C)([B-](F)(F)F)C1	2342479678	JSHOHIXGEDUMOY-SECBINFHSA-N	316.134	0.222	70	10	DCIE	
CN(CC1(S(C)(=O)=O)CC1)c1ncncc1[B-](F)(F)F	2116149341	BRUGKHBIYVHRAJ-UHFFFAOYSA-N	308.114	0.544	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cn1)[C@@H]1CS(=O)(=O)C1(C)C	2116142343	LPGDMIBRDHGIBZ-MRVPVSSYSA-N	308.114	0.543	70	10	DCIE	
COCCn1ncc(N[C@@H]2CCN(C)C2=O)c(Cl)c1=O	217505125	XPKSMRXGXMKLMI-MRVPVSSYSA-N	300.746	0.186	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)[C@@H]2CCCC[C@@H]2F)C1	2134991524	ZPTRVAZFIXYYDO-VHSXEESVSA-N	317.379	0.828	70	10	DCIE	
C[C@H]1COCC[C@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923178594	RWXFGEUHCSOLQP-JGVFFNPUSA-N	305.331	0.111	70	10	DCIE	
C=C(C)CN[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1731616726	HLBOAQMHYAXYIP-VIFPVBQESA-N	303.359	0.957	70	10	DCIE	
CC1(C)[C@@H]2OCC[C@H]2[C@]1(N)C(=O)N(CCO)CC(F)(F)F	160280980	UQLOGJHJNGRVMS-KKFJDGPESA-N	310.316	0.512	70	10	DCIE	
CN(C)C[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCO1	160537337	KGKXIEZKHJFEFB-GFCCVEGCSA-N	303.366	0.371	70	10	DCIE	
C[C@H]1CN(c2ccc(S(C)(=O)=O)cc2)CCS1(=O)=O	160741329	QFZRVDKOOXFFOC-JTQLQIEISA-N	303.405	0.713	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1C(=O)[C@](C)(N)C(F)(F)F	159683952	QMIGUHUGRRGVJA-KCJUWKMLSA-N	311.304	0.018	70	10	DCIE	
CO[C@@]1(CNc2cc(N)cc(S(N)(=O)=O)c2)CCOC1	159961732	XDKTXROKEWQBGU-GFCCVEGCSA-N	301.368	0.134	70	10	DCIE	
NC(=O)NCCNC[C@@H](O)COCc1ccccc1Cl	160968055	UZBQTPBVEXWXBJ-LLVKDONJSA-N	301.774	0.475	70	10	DCIE	
Cc1nc(Cn2nc([N+](=O)[O-])c(S(=O)(=O)Cl)c2C)no1	302352869	WRJWGDGAACPVDX-UHFFFAOYSA-N	321.702	0.767	70	10	DCIE	
CO[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	311393486	DUTZJMNFGHWEQA-LURJTMIESA-N	309.775	0.753	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@]12COC[C@H](C1)C2	2236440117	DGZHRPGTZWDXRG-DGFRNANFSA-N	320.754	0.303	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)CC1CC(S(C)(=O)=O)C1	2257571214	HQPCBRQXFWFEDZ-UHFFFAOYSA-N	317.860	0.700	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C1C[C@@H]2[C@@H](C1)C2(F)F	2287068464	IEZDKVQBPOEVCW-IWSPIJDZSA-N	312.313	0.683	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1COC2(CCC2)C1	2287072751	ZNBHWUKLOUCNFE-UWVGGRQHSA-N	306.359	0.350	70	10	DCIE	
O=C(O[C@H]1CCCNC1=O)c1cccc(S(=O)(=O)F)c1	1333520381	UFFIFHNRDUWVPD-JTQLQIEISA-N	301.295	0.780	70	10	DCIE	
O=C(N[C@H]1CCC2(C1)OCCO2)c1cc(S(=O)(=O)F)c[nH]1	1435701977	DACJZNUYSJEQGG-QMMMGPOBSA-N	318.326	0.698	70	10	DCIE	
CCC(=O)NC[C@@H](CC)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1285027582	IJFNCGITNHCTIX-MRVPVSSYSA-N	319.358	0.708	70	10	DCIE	
NN[C@@H](Cc1ccc(Br)cn1)[C@@H]1COCCO1	161122316	OVDHBFDFFSWDFO-QWRGUYRKSA-N	302.172	0.634	70	10	DCIE	
N[C@@H](C(=O)N1CCOC[C@@H]1C(=O)NC1CC1)c1cccs1	159660153	LLHDLFRBTWIYSQ-ZYHUDNBSSA-N	309.391	0.254	70	10	DCIE	
CN(C)c1cccc2c1CN([C@H]1CCS(=O)(=O)C1)[C@H]2CN	216825611	XMNQWQPEJUOBHA-NHYWBVRUSA-N	309.435	0.755	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NC[C@H]2CCC(=O)N2)c1F	159530902	OVSITSFOVDSBII-SECBINFHSA-N	301.343	0.273	70	10	DCIE	
Nc1cc(F)ccc1S(=O)(=O)NCCNC(=O)C1CC1	160648656	LEFKVTYAIVKKAX-UHFFFAOYSA-N	301.343	0.212	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1Cc1nc(COC)no1	2169670166	IVOLZJSBMUSTPU-UHFFFAOYSA-N	320.758	0.951	70	10	DCIE	
COC[C@](C)(OC)C(=O)Nc1ccc(S(=O)(=O)F)nc1	2198216014	JETCDFXGQUJPIE-NSHDSACASA-N	306.315	0.730	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1CC[C@H]2C[C@H]1CO2	2096761601	VJDRUBBYHRCOAR-YUMQZZPRSA-N	304.755	0.946	70	10	DCIE	
COc1nc(N2CCO[C@@H]3COC[C@@H]32)ncc1[B-](F)(F)F	2192638241	WUHZZTHGJUPRFT-DTWKUNHWSA-N	304.057	0.144	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@]23C[C@](C)(CO2)C3)[nH]1	2205374495	QGBSUASWBLIHEI-PHIMTYICSA-N	303.315	0.008	70	10	DCIE	
CS(=O)(=O)N1CCC(OCCCS(=O)(=O)Cl)CC1	2257819215	YATKQSFAQJAKPV-UHFFFAOYSA-N	319.832	0.386	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccc(Cl)cn1	2271493378	RQEHPETZHZWABJ-MRVPVSSYSA-N	307.734	0.753	70	10	DCIE	
C[C@H]1CC[C@H](S(C)(=O)=O)CN1c1ncncc1[B-](F)(F)F	2279413642	HANBLYRVGWRZJZ-IUCAKERBSA-N	322.141	0.933	70	10	DCIE	
CN(CC1COC1)C(=O)c1cc(S(=O)(=O)Cl)cn1C	2269836063	YWVRBESACPEDDS-UHFFFAOYSA-N	306.771	0.671	70	10	DCIE	
CS(=O)(=O)N1CC[C@H](Oc2ccc([B-](F)(F)F)cn2)C1	2270092138	XLIOJEGTVSHCAP-VIFPVBQESA-N	309.098	0.549	70	10	DCIE	
CO[C@@H](C(=O)NC1CN(S(=O)(=O)F)C1)C1CCCCC1	2284153321	KLYCROOIHVFKLZ-LLVKDONJSA-N	308.375	0.596	70	10	DCIE	
CCOC1CC(CC(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2287068259	KMAQTDYTQJWNTD-HSOILSAZSA-N	308.375	0.596	70	10	DCIE	
Cc1ncnc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c1[B-](F)(F)F	2336519050	BXAWUZSVBLXSDO-YUMQZZPRSA-N	306.098	0.073	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC[C@H]2C[C@@H]1CO2	2359646942	HDYHERNDZPEVCY-VPOLOUISSA-N	306.359	0.206	70	10	DCIE	
CC[C@H]1CC[C@H](O)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217973022	FOIQKGQDNYPJKW-MJBXVCDLSA-N	304.456	0.751	70	10	DCIE	
CCCn1c([C@@H](C)n2cncn2)nnc1S(=O)(=O)Cl	233438887	BWXGGOFKNUXOLT-SSDOTTSWSA-N	304.763	0.816	70	10	DCIE	
O=C(N1CCN(S(=O)(=O)F)CC1)[C@@]12CCC[C@H]1OCC2	2163668519	YFRSRQNVARTKRS-ZYHUDNBSSA-N	306.359	0.304	70	10	DCIE	
CCCO[C@H]1CS(=O)(=O)C[C@H]1C1(S(=O)(=O)Cl)CC1	696653562	FUKQDXLEFRJJOV-BDAKNGLRSA-N	316.828	0.927	70	10	DCIE	
CCCc1nc(NS(N)(=O)=O)sc1S(=O)(=O)Cl	1948492157	FPXQFEMRNDSADJ-UHFFFAOYSA-N	319.817	0.639	70	10	DCIE	
C[C@H]1CCCN(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)C1	2134975105	ADMNSNJNHDPUTK-VIFPVBQESA-N	314.404	0.194	70	10	DCIE	
CS(=O)(=O)CC[C@H](N)C(=O)N1CCC[C@H]2CCCC[C@H]21	218011213	SZYKGLSDBUXSJG-FRRDWIJNSA-N	302.440	0.930	70	10	DCIE	
Cn1nnc(NC(=O)c2ccc(S(=O)(=O)F)cc2Cl)n1	1533347206	NWGODJYRLYUCJQ-UHFFFAOYSA-N	319.705	0.774	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc(F)c(CN)c2)CCOC1	160171721	ICGYLHFOTPZZEQ-CYBMUJFWSA-N	318.370	0.368	70	10	DCIE	
C[C@@H]1CCC[C@@H](OC[C@H](O)CNCCNC(=O)N(C)C)C1	160930948	DJNOUYWXPJAIPE-MGPQQGTHSA-N	301.431	0.803	70	10	DCIE	
Cc1nn(C)c(C)c1C(=O)N1CCC(S(=O)(=O)F)CC1	1968216644	CLSAHXFIEHEBLJ-UHFFFAOYSA-N	303.359	0.941	70	10	DCIE	
COc1nn(C)cc1CN(C)c1ncc([B-](F)(F)F)cn1	2172784475	OQPVJACRJOICCD-UHFFFAOYSA-N	300.073	0.910	70	10	DCIE	
Cc1nc(N2C[C@H]3OCCN(C)[C@@H]3C2)ccc1[B-](F)(F)F	2172786747	VVRVCXVWKLBHIJ-VXGBXAGGSA-N	300.113	0.964	70	10	DCIE	
Cc1cc(OCC(=O)NCC#N)cc(C)c1S(=O)(=O)F	2191423189	DALSXBFWHDUZLB-UHFFFAOYSA-N	300.311	0.980	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(OCCCS(C)(=O)=O)n1	2278383340	RSOVMINIIHCLHH-UHFFFAOYSA-N	312.098	0.958	70	10	DCIE	
COc1cnccc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287069511	BPBBUBNQJXAIQL-QMMMGPOBSA-N	303.315	0.109	70	10	DCIE	
Cc1[nH]nc(C(=O)NCC[C@@H]2CCOC2)c1S(=O)(=O)Cl	235847167	UBAFPVSRYCVAAW-MRVPVSSYSA-N	321.786	0.802	70	10	DCIE	
COC[C@H]1C[C@H](NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	2162910130	XKELCJUKOYQUFD-ZKCHVHJHSA-N	321.786	0.800	70	10	DCIE	
O=C(NNc1ncc(F)cn1)c1cc(S(=O)(=O)F)c[nH]1	1137593744	WBIGFGCJEGTUJY-UHFFFAOYSA-N	303.250	0.359	70	10	DCIE	
Cc1cnc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)cn1	693576841	YRIUYGTVTGGZAY-UHFFFAOYSA-N	317.714	0.866	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ccncc3[B-](F)(F)F)C[C@H]2C1	2116146099	SZLWJCNPBDDLJY-IUCAKERBSA-N	305.110	0.617	70	10	DCIE	
O=S(=O)(NCc1ccc(F)cc1)N1CCC[C@H](CO)C1	218690301	VJKSNJSJSDNJBT-LBPRGKRZSA-N	302.371	0.864	70	10	DCIE	
C#CCN[C@H](C)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1571406287	YNAJPVKXBPIUBD-SECBINFHSA-N	301.343	0.356	70	10	DCIE	
CN[C@H](c1c(Cl)cnn1CCOC)[C@@H]1CN2CCN1CC2	161363296	OWSAGBGRQKEAGO-STQMWFEESA-N	313.833	0.443	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCCC(=O)NC2CC2)cc1N	159649136	RYEUVDVWXIFLBJ-UHFFFAOYSA-N	312.395	0.258	70	10	DCIE	
CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1	159927860	UGWTUUGBCFOCPW-MNOVXSKESA-N	316.365	0.762	70	10	DCIE	
O=C([C@@H]1CCCC1(F)F)N1CCN(S(=O)(=O)F)CC1	1974014947	OHLCKRQHTHVEMR-QMMMGPOBSA-N	300.302	0.780	70	10	DCIE	
COCC1(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)CCC1	380401519	BDMWUQAKZFPGIG-UHFFFAOYSA-N	322.770	0.693	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@H]1C(F)(F)F	2108160654	JNCHHZFUICCXJH-RNFRBKRXSA-N	304.265	0.447	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C1CC2(CSC2)C1	2271484906	IOFLDTRTTOWXRY-SECBINFHSA-N	308.400	0.534	70	10	DCIE	
CCc1[nH]nc(C(=O)OC2(C)COC2)c1S(=O)(=O)Cl	2272857336	JCLCRJNECABBQB-UHFFFAOYSA-N	308.743	0.845	70	10	DCIE	
O=S(=O)(Cl)CCCCN1C[C@H]2CS(=O)(=O)[C@@H]2C1	2299799672	SFEXYDGXKGSXHM-DTWKUNHWSA-N	301.817	0.064	70	10	DCIE	
CC(C)[C@H]1CC[C@@H](N)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217971928	DLLWMZIRTNGCRQ-RRFJBIMHSA-N	317.499	0.963	70	10	DCIE	
CS(=O)(=O)CCN1CCOC[C@H]1C[C@H](O)c1ccco1	159586583	SXXLJNSULOVAHD-NEPJUHHUSA-N	303.380	0.449	70	10	DCIE	
CC(F)(F)[C@H]1C[C@@H]1CS(=O)(=O)N1CC(S(=O)(=O)F)C1	2134971693	RWAOPOWOIVDIIP-SVRRBLITSA-N	321.342	0.591	70	10	DCIE	
CC#CCNC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1733256892	WACFYQFLPVSLPI-UHFFFAOYSA-N	313.354	0.548	70	10	DCIE	
CO[C@]1(CNc2nc(Cl)nc(-n3ccnc3)n2)CCOC1	161049160	CRDITWLMGJYOMU-LBPRGKRZSA-N	310.745	0.928	70	10	DCIE	
CC1CCC(OC[C@H](O)CNCCNC(=O)N(C)C)CC1	160929900	SVLLIRJUYVGTFU-ROKHWSDSSA-N	301.431	0.803	70	10	DCIE	
C[C@H]1[C@@H](N)CCN1C(F)(F)COS(=O)(=O)C(F)(F)F	852750240	OXAOXHFCORGOBY-WDSKDSINSA-N	312.260	0.867	70	10	DCIE	
Cc1cnc(N2CCN3CCOC[C@H]3C2)c([B-](F)(F)F)c1	2185881025	HNMTWTRTAMMUHH-LLVKDONJSA-N	300.113	0.965	70	10	DCIE	
C=CCCOCCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2107609270	BLBVZSJEHVALAB-UHFFFAOYSA-N	308.743	0.469	70	10	DCIE	
O=S(=O)(NCC1CN(S(=O)(=O)F)C1)c1ccccc1	2108152665	CRKXXNWFUCSZFI-UHFFFAOYSA-N	308.356	0.111	70	10	DCIE	
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCN(S(=O)(=O)F)CC1	2233186757	OAISDMHNVXVFIF-GARJFASQSA-N	306.359	0.160	70	10	DCIE	
COc1cccc(F)c1C(=O)NC1CN(S(=O)(=O)F)C1	2284154052	VCYIADFCWKWQND-UHFFFAOYSA-N	306.290	0.463	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)c1ccc(F)cc1	124135747	YLRDEEFQCIDEMG-UHFFFAOYSA-N	301.748	0.673	70	10	DCIE	
O=C(N[C@H]1CCOC[C@@H]1F)c1cc(S(=O)(=O)Cl)c[nH]1	2130186718	GCFSXCXJMXPCFF-YUMQZZPRSA-N	310.734	0.799	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@H]32)c1S(=O)(=O)Cl	2118023495	OFSRJWZYIBKCAF-ZMONIFLSSA-N	305.743	0.020	70	10	DCIE	
C[C@H](OC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1nnnn1C	1436101694	MFYLSIGZKYMEDT-YFKPBYRVSA-N	303.275	0.114	70	10	DCIE	
N[C@H]1CCC[C@H](CCC(=O)N[C@@H]2CCCS(=O)(=O)C2)C1	161035231	BYZUJDDPMVBKPK-FRRDWIJNSA-N	302.440	0.978	70	10	DCIE	
C[C@H](O)CN1CCC(CN(C)S(=O)(=O)CCCF)CC1	161429372	UKUAGTSHGNISFG-LBPRGKRZSA-N	310.435	0.700	70	10	DCIE	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](O)CN1CCCCC1	160350939	VOBCPVBJDHMEOX-OLZOCXBDSA-N	313.442	0.500	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccccc1	160519080	LJJBXJVRLAEOGR-ZDUSSCGKSA-N	312.391	0.601	70	10	DCIE	
CSc1nc(N)cc(N2CCOC[C@@H]2C(=O)NC2CC2)n1	160568633	SPUNWDGCTOUHGY-SECBINFHSA-N	309.395	0.265	70	10	DCIE	
Cc1conc1NC(=O)C(=O)NCC(=O)NC1CCCCC1	160888558	DUXWTBGAQSTEJT-UHFFFAOYSA-N	308.338	0.487	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCC[C@@H](N(C)C)C2)cc1N	159646168	GOAUAVYJIYBSTL-GFCCVEGCSA-N	312.439	0.707	70	10	DCIE	
CN(c1cnn(CCO)c(=O)c1Cl)[C@@H]1CCCC[C@@H]1CN	159677144	GVRBTAQXPFUCJI-GHMZBOCLSA-N	314.817	0.843	70	10	DCIE	
COc1nn(C[C@@H]2CCN(C)C2)c(OC)c1S(=O)(=O)Cl	2149821578	CBDOPBZYNIGMGT-MRVPVSSYSA-N	323.802	0.780	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)NC2CCOCC2)c1	163306466	ATLODUOZSVFVAM-UHFFFAOYSA-N	323.367	0.802	70	10	DCIE	
Cc1ncnc(N2CCO[C@@H]3COCC[C@@H]32)c1[B-](F)(F)F	2172764350	BIOYKADHTKILKX-VHSXEESVSA-N	302.085	0.834	70	10	DCIE	
CN(C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1ccncc1[B-](F)(F)F	2174648304	LQXYHCGQWAWWSM-OWUUHHOZSA-N	319.137	0.863	70	10	DCIE	
Cc1cc(O[C@H](C)C(N)=O)c([N+](=O)[O-])cc1S(=O)(=O)F	2191413664	IUGABYZOVHYJQV-ZCFIWIBFSA-N	306.271	0.814	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C23CCC(CC2)O3)[nH]1	2192034169	PZFZAPPJEBGPLU-UHFFFAOYSA-N	303.315	0.150	70	10	DCIE	
COC[C@@H]1CN(c2nc(OC)ccc2[B-](F)(F)F)CCO1	2280632394	UWSCXWNNAYQDQC-VIFPVBQESA-N	305.085	0.996	70	10	DCIE	
O=S(=O)(N1CC[C@H]([B-](F)(F)F)C1)N1CCC[C@@H]1CO	2319671840	MQKRBNUTSXOATA-DTWKUNHWSA-N	301.119	0.611	70	10	DCIE	
COCCn1ncc(NCC[C@@H]2CCNC2)c(Cl)c1=O	159411118	XRPCFEXOLBMPDP-JTQLQIEISA-N	300.790	0.955	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCC[C@@H]2CCCO)cc1N	159615964	QSFAGBYWPZYHOG-LLVKDONJSA-N	313.423	0.918	70	10	DCIE	
CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1c2ccccc2C[C@@H]1O	159898940	UZGXFJBWVJIWQY-RDBSUJKOSA-N	306.387	0.682	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cc(C)c(C)cc2N)CCOC1	159913717	KFGLAMNZNOLNCB-CQSZACIVSA-N	314.407	0.969	70	10	DCIE	
NC(=S)[C@H](C(=O)NCCNC(=O)C1CC1)c1ccccc1	160785642	WLBWWJXJYJISPG-GFCCVEGCSA-N	305.403	0.699	70	10	DCIE	
Cc1c(CNC[C@H](O)COc2ccc3c(c2)OCO3)cnn1C	160921130	RIBGLCKLYRAPDL-ZDUSSCGKSA-N	319.361	0.987	70	10	DCIE	
O=C(NCCN1C(=O)c2ccccc2C1=O)Nc1nc[nH]n1	217282296	FDMOSCLCWOHONO-UHFFFAOYSA-N	300.278	0.222	70	10	DCIE	
COc1ccc(C(=O)NC[C@H](O)Cn2ccccc2=O)cc1	218406382	LTBBGBNJRTUSDK-ZDUSSCGKSA-N	302.330	0.648	70	10	DCIE	
O=C1c2ccccc2CS(=O)(=O)N1CCS(=O)(=O)F	883953086	HFVZJRFUNDNVOV-UHFFFAOYSA-N	307.324	0.272	70	10	DCIE	
CC(C)(C)OC(=O)N1CC(N([C@H]2CCOC2)S(=O)(=O)F)C1	1955897232	BRWORPNPURMYIZ-VIFPVBQESA-N	324.374	0.911	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@H]2[C@@H]1C2(F)F	1974055648	UJPXGXCICATUNR-HRDYMLBCSA-N	312.313	0.540	70	10	DCIE	
CC(F)(F)[C@@H]1C[C@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	2108153477	IXFGCOJDTXIZEW-HTQZYQBOSA-N	300.302	0.540	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@H](C)S(=O)(=O)[C@H](C)C2)n1	2172758527	RFDIRKDMJIGTTL-OCAPTIKFSA-N	322.141	0.851	70	10	DCIE	
Cc1nc(N(C)CCN2CCOCC2)ncc1[B-](F)(F)F	2172764727	HMROGIOATKJSIF-UHFFFAOYSA-N	303.117	0.608	70	10	DCIE	
CCS(=O)(=O)N1CCN(c2ncc([B-](F)(F)F)cn2)CC1	2172782792	WRJFMKLMHICUFY-UHFFFAOYSA-N	323.129	0.003	70	10	DCIE	
O=[N+]([O-])c1nn(C[C@]2(F)CCOC2)cc1S(=O)(=O)Cl	2229927027	QXXGAULTHCHMLL-MRVPVSSYSA-N	313.694	0.847	70	10	DCIE	
O=C(Cn1nc(O)ccc1=O)N1CCC([B-](F)(F)F)CC1	2239525155	JCXMWMNTGUUZCM-UHFFFAOYSA-N	304.057	0.789	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)N2C[C@H]3CC[C@@H](N)C[C@H]3C2)C[C@@H](C)O1	218250121	GVSWNLWXEHTVDY-XGFWRYKXSA-N	317.455	0.400	70	10	DCIE	
CCOc1ccccc1OCNC(=O)N1CCN(CCO)CC1	217289666	YJFCDELDSVCXQJ-UHFFFAOYSA-N	323.393	0.741	70	10	DCIE	
O=C(N[C@@H]1COC2CC1C2)c1cc(S(=O)(=O)Cl)c[nH]1	2126712532	NBBPZWYHQCMWTF-HNQUHTCLSA-N	304.755	0.849	70	10	DCIE	
C[C@@H](Br)CC(=O)NCC1CN(S(=O)(=O)F)C1	1901501982	KXMGCMSICCOCAQ-ZCFIWIBFSA-N	317.180	0.422	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1CCOCC12CC2	1915585283	ARFHFNYBIREFQS-UHFFFAOYSA-N	304.755	0.947	70	10	DCIE	
CCCn1cc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)nn1	1455380623	RDFNSZVLRHDMIH-UHFFFAOYSA-N	315.330	0.604	70	10	DCIE	
CCCc1n[nH]c(C(=O)NCC(C)(C)OC)c1S(N)(=O)=O	161481575	GJNHGGSSHYQDEZ-UHFFFAOYSA-N	318.399	0.164	70	10	DCIE	
C[C@@H]1C[C@@H]1CNC(=O)c1ccc(N(C)C)c(S(N)(=O)=O)c1	160337505	UERFWYXCACMGDA-MWLCHTKSSA-N	311.407	0.786	70	10	DCIE	
CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H](C)CO)cc1	160363510	WJUWIJPHPVXOMN-QWRGUYRKSA-N	314.407	0.732	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)c1F	159534530	WZYUNFDBTBLITA-JTQLQIEISA-N	315.370	0.615	70	10	DCIE	
O=S(=O)(Cl)N1CC(n2ccc(Br)n2)C1	1887060124	YCKWRARXPAKYIR-UHFFFAOYSA-N	300.565	0.986	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccc(Cl)nn1	1974060912	YOVBJGXHYQEQIU-UHFFFAOYSA-N	308.722	0.006	70	10	DCIE	
CC[C@@H](C(=O)N1CCOC[C@H]1C(=O)NC(C)C)C(N)=S	159784677	RRYKJWVFEIAXHB-ZJUUUORDSA-N	301.412	0.051	70	10	DCIE	
Cc1[nH]nc(C(=O)N2C[C@@H]3CCO[C@H]3C2)c1S(=O)(=O)Cl	2172083278	PIAOUZISYYZKHL-YUMQZZPRSA-N	319.770	0.507	70	10	DCIE	
CCN(c1ncc([B-](F)(F)F)c(C)n1)[C@@H]1CCS(=O)(=O)C1	2172769142	SSGAQBLAPHGYJV-SECBINFHSA-N	322.141	0.853	70	10	DCIE	
CO[C@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc([B-](F)(F)F)cn1	2172785730	WCWJHSJMWHSRMG-ZJUUUORDSA-N	323.125	0.384	70	10	DCIE	
CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)C(=O)NCC1	2086909570	WOCRJMDNVJRCNC-UHFFFAOYSA-N	317.241	0.190	70	10	DCIE	
CCn1c([C@@H]2CO[C@@H]3COC[C@H]32)nnc1S(=O)(=O)Cl	2101887950	AJANIXLPVPQSRD-XLPZGREQSA-N	307.759	0.354	70	10	DCIE	
Cc1ncnc(-n2cc(S(C)(=O)=O)cn2)c1[B-](F)(F)F	2273475284	BYALZUFXBGODTL-UHFFFAOYSA-N	305.070	0.429	70	10	DCIE	
CS(=O)(=O)C1CC(COc2ncncc2[B-](F)(F)F)C1	2352932109	IBRSIOBKPUVLKQ-UHFFFAOYSA-N	309.098	0.733	70	10	DCIE	
N#CCC1(Cn2cc(S(=O)(=O)Cl)c(=O)[nH]c2=O)CC1	215922875	GEXDYGJOEIPIFH-UHFFFAOYSA-N	303.727	0.158	70	10	DCIE	
O=C([C@@H]1C[C@H]1Br)N1CC(CCS(=O)(=O)F)C1	1897395918	QFBYETKQMBLAAD-HTQZYQBOSA-N	314.176	0.918	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2COC[C@H]2C)c1S(=O)(=O)Cl	699809699	HVMPSMPPMVCUGW-VDTYLAMSSA-N	307.759	0.410	70	10	DCIE	
CC(=O)N(C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1735162328	CJXXEXAVEDYFHD-SSDOTTSWSA-N	305.331	0.270	70	10	DCIE	
COC(=O)Cn1ncc(N2CC[C@H]([C@H](C)N)C2)c(Cl)c1=O	160003732	ONCUYSHAAUKGMT-IUCAKERBSA-N	314.773	0.243	70	10	DCIE	
C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(CO)CC1	160343080	OAAYKPBTJDROOY-JTQLQIEISA-N	315.366	0.877	70	10	DCIE	
Cc1ncoc1C(=O)N1CCc2cc(S(N)(=O)=O)ccc21	159656767	USOMGAOBWZRENG-UHFFFAOYSA-N	307.331	0.833	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2CC[C@@H]2N(C)C)c1S(=O)(=O)Cl	2157690719	BDBGIMUVYQTPOJ-YUMQZZPRSA-N	320.802	0.468	70	10	DCIE	
Cc1cnc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)c([B-](F)(F)F)c1	2172795522	JLYSTAUBLAJSGG-UWVGGRQHSA-N	319.137	0.925	70	10	DCIE	
COc1ccnc(C(=O)N2CC(CCS(=O)(=O)F)C2)c1	2199688118	KSJXRSNPEIXYRC-UHFFFAOYSA-N	302.327	0.852	70	10	DCIE	
O=C([C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@@H]12)N1CC(CCS(=O)(=O)F)C1	2199690538	YFFDBRKRHWWSOH-HGCLJGPKSA-N	303.355	0.558	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@]12CCC[C@H]1CSC2	2268806346	UCFGWJSRRPSFDL-KWQFWETISA-N	308.400	0.534	70	10	DCIE	
CCCc1nnsc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287077655	XBEVFDFBUMMTRZ-SSDOTTSWSA-N	322.387	0.509	70	10	DCIE	
COC(=O)CNC(=O)N[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1	217285092	JFZYTWHSHPHQAP-AAEUAGOBSA-N	319.361	0.821	70	10	DCIE	
COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1S(=O)(=O)F	713303021	VYHMJJDVFDVBMK-YUMQZZPRSA-N	311.331	0.694	70	10	DCIE	
CN1C[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1	1520006928	LRKBBWYKMNNGEP-GZMMTYOYSA-N	301.343	0.449	70	10	DCIE	
C[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)c1nnnn1C	1538959246	OYFBKJCJANATQT-ZETCQYMHSA-N	313.314	0.359	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ccc(Cl)nn1	112084082	SVBJCLQAKNDWPG-UHFFFAOYSA-N	305.164	0.472	70	10	DCIE	
CN[C@@H](c1c(Cl)cnn1CCN(C)C)[C@@H]1CN(C)CCO1	161049816	DZBLSQKEKZLYQS-QWHCGFSZSA-N	315.849	0.689	70	10	DCIE	
O=C(NCC(=O)N1CCC(OCCCO)CC1)c1ccccc1	160195361	SHNFIOVGEAPQDX-UHFFFAOYSA-N	320.389	0.806	70	10	DCIE	
CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1	1963982801	CIEMCQPZARDBLP-UHFFFAOYSA-N	322.383	0.281	70	10	DCIE	
COCCn1c(CCOC(C)C)nnc1S(=O)(=O)Cl	716961631	ZMUYJPPDMCIOKE-UHFFFAOYSA-N	311.791	0.820	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@]12CCOC[C@H]1C2	2194419650	HFHUTLFZRNNNQR-PRHODGIISA-N	318.782	0.861	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccc(Cl)nc1	2271502783	KQIOMRAGDCABPI-MRVPVSSYSA-N	307.734	0.753	70	10	DCIE	
CC(C)(C)OC1CC(C(=O)NC2CN(S(=O)(=O)F)C2)C1	2284151500	QRPMDQWLMYTYSF-UHFFFAOYSA-N	308.375	0.595	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccc([N+](=O)[O-])o1	2287070693	VFSAUAOYEDOFQW-ZCFIWIBFSA-N	307.259	0.206	70	10	DCIE	
N#CCN[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1265370595	USPLJRAWKJKOIU-LLVKDONJSA-N	314.342	0.294	70	10	DCIE	
NC1=CCN(C(=O)c2cc(S(=O)(=O)F)ccc2Cl)N1	1584946727	JNBWEHYAKXQGDY-UHFFFAOYSA-N	305.718	0.759	70	10	DCIE	
CCNc1ccncc1S(=O)(=O)NC[C@]1(OC)CCOC1	161202513	FKXGGHHLUQCWMP-CYBMUJFWSA-N	315.395	0.597	70	10	DCIE	
CNS(=O)(=O)c1ccc(NC[C@H]2CCC[C@@H]2CO)cc1N	159645289	MWMZUOAOIJTFPY-GHMZBOCLSA-N	313.423	0.997	70	10	DCIE	
CC#CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1964008895	SYIGDXKCXPKJDY-UHFFFAOYSA-N	305.352	0.989	70	10	DCIE	
NC(=O)NCCNC[C@H](O)COCc1ccc(Cl)cc1	160979718	OONAXPRXZGTNKR-LBPRGKRZSA-N	301.774	0.475	70	10	DCIE	
COCCn1ncc(Cl)c1[C@@H](N)[C@@H]1CN(C)CCN1C	161194684	DPOVKZFSVFHOBH-RYUDHWBXSA-N	301.822	0.429	70	10	DCIE	
CCOC1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	383079809	BLAIXPZUIUJIQT-UHFFFAOYSA-N	323.367	0.754	70	10	DCIE	
Cc1ncnc(N2C[C@@H]3OCCN(C)[C@H]3C2)c1[B-](F)(F)F	2172757718	FUHUPHHHFHAGIK-UWVGGRQHSA-N	301.101	0.359	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CC[C@@H](S(C)(=O)=O)C2)n1	2179894364	QFGPHVKHZWRSLV-SECBINFHSA-N	322.141	0.771	70	10	DCIE	
O=C(O)c1cc(S(=O)(=O)F)ccc1OCc1nn[nH]n1	2191434199	HZMJCDRNVRBGPT-UHFFFAOYSA-N	302.243	0.135	70	10	DCIE	
CC[C@]12CO[C@](C(=O)NCC3CN(S(=O)(=O)F)C3)(C1)C2	2205374724	UEKWCNCVMCCXHN-TXEJJXNPSA-N	306.359	0.208	70	10	DCIE	
C[C@@]1([B-](F)(F)F)CCN(S(=O)(=O)CS(C)(=O)=O)C1	2303150848	IUUYNRAITKEKSF-SSDOTTSWSA-N	308.132	0.632	70	10	DCIE	
Cc1c(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)c(N)nn1C	218068642	KLAIAAPLFVUNJE-QWRGUYRKSA-N	313.427	0.216	70	10	DCIE	
CCN1CCO[C@H](Cn2cc(S(=O)(=O)Cl)nc2C)C1	215832586	HQMUMYBQGLKDDY-JTQLQIEISA-N	307.803	0.840	70	10	DCIE	
CCN(CCS(C)(=O)=O)c1ncnc(C)c1[B-](F)(F)F	2116132325	MZZFUFSDRTUBTB-UHFFFAOYSA-N	310.130	0.710	70	10	DCIE	
CN1C[C@@H]2[C@H](CCN2C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1520006931	LRKBBWYKMNNGEP-LDYMZIIASA-N	301.343	0.449	70	10	DCIE	
CCN(CC)S(=O)(=O)CC(=O)N[C@H]1CN(C(C)C)C[C@@H]1C	161130629	RMIUSCAYQUXYAH-STQMWFEESA-N	319.471	0.503	70	10	DCIE	
CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc([S@](C)=O)cc1	159605633	SDVDOJHPKGIFRQ-WHEQGISXSA-N	323.418	0.844	70	10	DCIE	
C[C@@H](Oc1cccnc1)C(=O)N1CCS(=O)(=O)C(C)(C)C1	159893726	XWAHXIHUZCVCJI-LLVKDONJSA-N	312.391	0.885	70	10	DCIE	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCC2CN(S(=O)(=O)F)C2)[C@H]1C	1974055414	QSXJPFFTBKINNB-CKEKPRIKSA-N	308.375	0.308	70	10	DCIE	
CC(C)(C)NC(=O)CNC[C@@H]1CCCN(S(C)(=O)=O)C1	159891709	RDYNZSBOJJMJLK-NSHDSACASA-N	305.444	0.162	70	10	DCIE	
COc1nc(N2CCN(C)C[C@H](C)C2)ncc1[B-](F)(F)F	2172770494	LXMSMBHXOXFTDD-VIFPVBQESA-N	303.117	0.928	70	10	DCIE	
COc1nc(SCCS(C)(=O)=O)ncc1[B-](F)(F)F	2052596300	GZJXTWWYHOHHBG-UHFFFAOYSA-N	315.127	0.676	70	10	DCIE	
CNC(=O)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)F)cc1	2191427653	DVTCKYKIVIKGJU-ZETCQYMHSA-N	304.299	0.568	70	10	DCIE	
COCCCNC(=O)COc1ccc(S(=O)(=O)F)cc1	2191428413	NJRZYKGKEAJXSU-UHFFFAOYSA-N	305.327	0.876	70	10	DCIE	
O=C([C@H]1COCCC1(F)F)N1CC(CCS(=O)(=O)F)C1	2199689528	RQCMAWHQSRBBSG-SECBINFHSA-N	315.313	0.806	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccn(C2CC2)n1	2287065619	OPJDBNFAODVQFR-MRVPVSSYSA-N	302.331	0.236	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)Cc2ccccc2F)C1	2134982506	SROWMMYDKCGJTE-UHFFFAOYSA-N	311.331	0.639	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1Cc1cn[nH]c1	382311490	OCZMGJFCEKRNNE-UHFFFAOYSA-N	305.703	0.799	70	10	DCIE	
COc1ccc(NS(=O)(=O)N2CCC[C@H](CO)C2)cn1	218063003	YPQJDTHYGHPAAF-JTQLQIEISA-N	301.368	0.451	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC2(CCOCC2)C1	1521206676	OWEIJNLWVAIHEX-UHFFFAOYSA-N	302.327	0.926	70	10	DCIE	
CC[C@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C(N)=O	1462762868	LGRQUPXVMZAFNP-KWQFWETISA-N	316.354	0.975	70	10	DCIE	
CNC(=O)c1cccnc1N[C@@H]1CCc2nc(COC)nn2C1	161355476	ZOPLHSHWKYMSKY-SNVBAGLBSA-N	316.365	0.606	70	10	DCIE	
CCNC(=O)N1CC[C@@H](NC(=O)N(C)CC2CCOCC2)C1	160005132	HJAJKLILXJQZHI-CYBMUJFWSA-N	312.414	0.858	70	10	DCIE	
Cc1nc(CC(=O)NCC2CN(S(=O)(=O)F)C2)cs1	1974060546	VEVYMWGGJLFRDO-UHFFFAOYSA-N	307.372	0.256	70	10	DCIE	
COc1cc(N)cc(C(=O)NCC(C)(C)S(C)(=O)=O)c1	159786921	ALGQSAKAGZCOED-UHFFFAOYSA-N	300.380	0.830	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1CCC(C)(C)C(N)=S	159820956	XQZRTSSFLKNUAL-NSHDSACASA-N	301.456	0.916	70	10	DCIE	
Cc1nc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)ncc1[B-](F)(F)F	2172765468	RJTKREQMJHDMSA-WPRPVWTQSA-N	320.125	0.463	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1Cc1nnnn1C(C)(C)C	2196255976	LQTUHFHQKXUJKB-UHFFFAOYSA-N	318.790	0.909	70	10	DCIE	
O=c1nc(COc2ccc(S(=O)(=O)F)c(F)c2F)[nH]o1	2191421860	NQOPDMQVHWLQAE-UHFFFAOYSA-N	310.209	0.878	70	10	DCIE	
C[C@H](Oc1cc(F)c(S(=O)(=O)F)cc1[N+](=O)[O-])C(N)=O	2191424323	QTNMDASWMRMNQG-BYPYZUCNSA-N	310.234	0.645	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nccc(C(F)F)n1	2077036159	GNXPVLIIPFHYNH-UHFFFAOYSA-N	320.726	0.757	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1COC2(CCC2)C1	2284807446	QQABZSKJSSYPSG-SNVBAGLBSA-N	306.359	0.208	70	10	DCIE	
CC12CC(C(=O)N[C@@H]3CCN(S(=O)(=O)F)C3)(CCO1)C2	2287079571	MTJOVRFMQUXOGF-OIKLOGQESA-N	306.359	0.350	70	10	DCIE	
Cc1ccc(C#N)c(S(=O)(=O)CCS(=O)(=O)Cl)n1	112084013	BUNLYSUVIQHONH-UHFFFAOYSA-N	308.768	0.604	70	10	DCIE	
COCCCCNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	115019889	UCHKVBYBGFCASY-UHFFFAOYSA-N	309.775	0.802	70	10	DCIE	
CS(=O)(=O)N1CCN(C(=O)Nc2cc(O)cc(O)c2)CC1	217312343	KVJKTAVPDBEMCJ-UHFFFAOYSA-N	315.351	0.207	70	10	DCIE	
COc1ccc(C(=O)NC[C@@H](O)Cn2ccccc2=O)cc1F	218447563	NRXIAXYBYXWJOB-GFCCVEGCSA-N	320.320	0.787	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1Cc1ncc[nH]1	311713469	WIENCUOCAPUROR-UHFFFAOYSA-N	305.703	0.799	70	10	DCIE	
O=S1(=O)C[C@@H]2[C@@H](CCN2c2ncccc2[B-](F)(F)F)C1	2116148859	VZYXDZNNWHWWDQ-WCBMZHEXSA-N	305.110	0.759	70	10	DCIE	
CC(=O)N[C@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1704152718	SJUOVROETDWZNZ-SSDOTTSWSA-N	305.331	0.317	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H]1c1nc[nH]n1	1633555062	VPXQSQJJHNUNNV-VIFPVBQESA-N	313.314	0.768	70	10	DCIE	
CO[C@H](C)[C@@](C)(CN)N1CCn2c(nnc2C(F)(F)F)C1	161337813	CAMDRZOHNYFHSQ-LDYMZIIASA-N	307.320	0.865	70	10	DCIE	
Cc1cc(S(N)(=O)=O)cc(C(=O)NCCOC(C)C)c1F	161479137	NRIQVZHBCJXGKY-UHFFFAOYSA-N	318.370	0.936	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(C)[C@@H]2CCCN(C)C2)cc1N	159617023	QIDKHMXPUDYMPI-GFCCVEGCSA-N	312.439	0.707	70	10	DCIE	
CO[C@@H](C(=O)N1CC(CS(=O)(=O)F)C1)[C@@H]1CCCOC1	1968226768	GERZRTOCVSGISS-GHMZBOCLSA-N	309.359	0.186	70	10	DCIE	
Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2144733902	VEWXROVJJKGAFK-SNVBAGLBSA-N	303.359	0.859	70	10	DCIE	
C[C@@]12CC[C@@](C(=O)N3CCN(S(=O)(=O)F)CC3)(CO1)C2	1974015528	UZXUXLHTWUWFBT-RYUDHWBXSA-N	306.359	0.304	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCC(=O)NC(C)C)cc1N	159576353	NYZIHBRZQMIHMF-UHFFFAOYSA-N	300.384	0.113	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2OCC[C@H]2C)c1S(=O)(=O)Cl	2152425412	QWCJBBXTJZWCHI-SVRRBLITSA-N	321.786	0.800	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@]12COC[C@H]1C2	718093373	CHFQGYBOPQCXRI-HQJQHLMTSA-N	304.755	0.471	70	10	DCIE	
COc1nc(N(C)C[C@@H]2CCN(C)C2)ncc1[B-](F)(F)F	2172765431	QXMCFRBGOKKTAJ-SECBINFHSA-N	303.117	0.928	70	10	DCIE	
C[C@@H]1CCC[C@@H]1CS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2268804711	DPSBGXBLWYLKKC-RKDXNWHRSA-N	314.404	0.241	70	10	DCIE	
COCC(COC)COc1ncc([B-](F)(F)F)c(OC)n1	2207005895	SVMPZDNZJMWDDF-UHFFFAOYSA-N	309.073	0.827	70	10	DCIE	
COc1nc(OCCCS(C)(=O)=O)ncc1[B-](F)(F)F	2278381915	DIYQTVCWWPHSIS-UHFFFAOYSA-N	313.086	0.353	70	10	DCIE	
O=C1O[C@]2(CCCN(C(=O)Cn3cncn3)C2)c2ccccc21	217590920	LAEREBHFSMISGS-INIZCTEOSA-N	312.329	0.966	70	10	DCIE	
CS(=O)(=O)[C@H]1CC[C@]2(CC(=O)N2S(=O)(=O)Cl)C1	2299778505	NDFPIIVGAGGKIR-POYBYMJQSA-N	301.773	0.038	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC[C@@H]1CCCCO1	688101088	FXZLIEFQGCOSDW-QMMMGPOBSA-N	322.770	0.836	70	10	DCIE	
CCCn1c([C@@]2(C)COCCO2)nnc1S(=O)(=O)Cl	1908586938	FNGQGQBUAKZBQK-SNVBAGLBSA-N	309.775	0.878	70	10	DCIE	
COC[C@@H](C)NC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1716452717	AKJXSJAFOCZVDU-DTWKUNHWSA-N	321.374	0.416	70	10	DCIE	
Cc1cc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)ncn1	161369056	WLDWRDFLIBVTPP-CYBMUJFWSA-N	318.377	0.496	70	10	DCIE	
CCCNC(=O)CCNC(=O)C(=O)Nc1c(CC)noc1C	160245366	FNOUQKXEYITIIJ-UHFFFAOYSA-N	310.354	0.516	70	10	DCIE	
O=C(NC[C@H](O)c1ccc(F)cc1)N[C@@H]1CCc2ncnn2C1	160939561	LWCYMYOCBOZQKZ-OLZOCXBDSA-N	319.340	0.765	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cc(N)c(F)cc2C)CCOC1	159912793	UXXOHVDYKRWBHL-ZDUSSCGKSA-N	318.370	0.800	70	10	DCIE	
N#CC1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	1963989137	IOWBVVOLEKCTLQ-UHFFFAOYSA-N	304.324	0.489	70	10	DCIE	
N#Cc1ccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)cn1	2144733149	MYHPGVWPRNOECB-JTQLQIEISA-N	319.339	0.016	70	10	DCIE	
CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](S(=O)(=O)F)C2)C1	1968234351	AVEBXNDTQYXXCR-QWRGUYRKSA-N	306.359	0.145	70	10	DCIE	
Cn1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)cc1=O	1968226413	BQCUPYWEVKXBKQ-SNVBAGLBSA-N	302.327	0.289	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1CC2(CC(F)C2)C1	1974055636	UFLPRRLYFZGTFK-UHFFFAOYSA-N	308.350	0.777	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccc(C)cc2N)CCOC1	159911101	JYMSAQYJICXLST-ZDUSSCGKSA-N	300.380	0.661	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2CCCOCC2)c1	166186466	NNLGSEQFZNDDQX-UHFFFAOYSA-N	323.367	0.756	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ccnc2nccn12	2052000823	MESSFASKTLEQNB-UHFFFAOYSA-N	309.756	0.072	70	10	DCIE	
C[C@@H]1CCCC[C@H]1S(=O)(=O)NC1CN(S(=O)(=O)F)C1	2268776959	BSUNICAHPBYQBE-PSASIEDQSA-N	314.404	0.383	70	10	DCIE	
Cc1cccc(C)c1S(=O)(=O)NC1CN(S(=O)(=O)F)C1	2284152145	XGSARDLQYBEBJJ-UHFFFAOYSA-N	322.383	0.480	70	10	DCIE	
O=S1(=O)C[C@H]2CN(c3ncc([B-](F)(F)F)cn3)C[C@@H]2C1	2116144351	DSOOHOCDXVWOFU-HTQZYQBOSA-N	306.098	0.012	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1CC[C@@H]2C[C@@H]21	2134644996	PHCBODQJTOPAFO-CSMHCCOUSA-N	304.755	0.923	70	10	DCIE	
COC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)cc(F)c1F	161484962	VFTOEKWLQGCQBU-UHFFFAOYSA-N	322.333	0.767	70	10	DCIE	
C[C@H](NC(=O)[C@H]1OCC[C@@H]1C)c1cccc(S(N)(=O)=O)c1	160265624	NVXCQPWKPIXFNK-KWBADKCTSA-N	312.391	0.936	70	10	DCIE	
NC(=O)NC(=O)C1CCC(NC(=O)c2ccncc2F)CC1	160865783	HIWQFKJECIMIQW-UHFFFAOYSA-N	308.313	0.704	70	10	DCIE	
O=S1(=O)C[C@@H](O)[C@@H](NCCc2cccc3cccnc23)C1	159391350	WFPWAZGDPSFIQA-UONOGXRCSA-N	306.387	0.525	70	10	DCIE	
CN1CC(N(C)S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	2145488389	MLVYRULVXAKVQZ-UHFFFAOYSA-N	322.383	0.279	70	10	DCIE	
O=C(CC1CCOCC1)NC1CCN(S(=O)(=O)F)CC1	1974403390	YIPKDDRQWMGESD-UHFFFAOYSA-N	308.375	0.598	70	10	DCIE	
CC(C)Cn1c(CCn2cnnc2)nnc1S(=O)(=O)Cl	2146557534	RGNBQWFUHAZDLO-UHFFFAOYSA-N	318.790	0.696	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)OCCn1cncn1	2184415069	IWLDDTWDYAVQBV-UHFFFAOYSA-N	318.742	0.401	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)[C@H]2CC2(F)F)CC1	2049738413	HKWVJPWOGZGADJ-ZETCQYMHSA-N	307.315	0.488	70	10	DCIE	
COCc1cccnc1S(=O)(=O)CCS(=O)(=O)Cl	2078685196	XUNSMYDPPRAMEE-UHFFFAOYSA-N	313.784	0.570	70	10	DCIE	
CCCCc1nc(S(=O)(=O)Cl)cn1Cc1nnn(C)n1	2237596036	YHEWMZODRFDUFV-UHFFFAOYSA-N	318.790	0.725	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cncc(F)c2)[nH]1	1923172985	DGRKLFUPVIOSJU-UHFFFAOYSA-N	302.262	0.287	70	10	DCIE	
CCn1cnnc1[C@@H]1CCCN(CC(=O)N2CCOCC2)C1	161289708	KBYFKYBWHJBPAL-CYBMUJFWSA-N	307.398	0.336	70	10	DCIE	
COCC(=O)N1CCN(C(=O)c2cccc(N)c2Cl)CC1	160273944	MLJBGEZRBQGOCW-UHFFFAOYSA-N	311.769	0.853	70	10	DCIE	
O=S(=O)(N1CC[C@H](O)C1)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	1879798257	ZIACKHRAGWJTHA-LPEHRKFASA-N	313.130	0.611	70	10	DCIE	
Cn1nc(C(=O)N2CC(S(=O)(=O)F)C2)c(Cl)c1Cl	1968215544	IEMWPWHXVOWDBU-UHFFFAOYSA-N	316.141	0.851	70	10	DCIE	
C#CCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1COCC	2182342973	FEGWDVFBEVCNES-UHFFFAOYSA-N	319.770	0.097	70	10	DCIE	
Cc1cc(O[C@@H](C)C(=O)NC(N)=O)ccc1S(=O)(=O)F	2191434700	MYSBRBBVVFSQFT-ZETCQYMHSA-N	304.299	0.615	70	10	DCIE	
CO[C@H]1CC[C@H]1CC(=O)NC1CCN(S(=O)(=O)F)CC1	2186907434	LGVSSGLUBSTWGP-ONGXEEELSA-N	308.375	0.596	70	10	DCIE	
CC1(C)OCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)F)CC1	2187185083	OMVCMKSXVMOLKA-SNVBAGLBSA-N	308.375	0.550	70	10	DCIE	
CCO[C@@]1(C(=O)N2CC(CCS(=O)(=O)F)C2)CCOC1	2199698342	OLQHDFHFQFEYNV-LBPRGKRZSA-N	309.359	0.330	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)N2CCCCCC2)C1	2078998633	WANQYGNPBKVFSR-UHFFFAOYSA-N	300.377	0.091	70	10	DCIE	
Cc1ccccc1CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287064607	DXLFJFNZYVVWHZ-LBPRGKRZSA-N	300.355	0.942	70	10	DCIE	
C[C@H](C(=O)N1CCOCC1)n1cc(S(=O)(=O)Cl)cn1	215827889	ICNPNDVBQXIWAH-MRVPVSSYSA-N	307.759	0.230	70	10	DCIE	
Cc1nn(C[C@@H]2CN(C)C(=O)O2)c(C)c1S(=O)(=O)Cl	690559283	QCCWTWKQZVGQOR-QMMMGPOBSA-N	307.759	0.878	70	10	DCIE	
Cc1ccc(-c2nnnn2CC(=O)O)cc1S(=O)(=O)Cl	585862407	XPPHVJQLCWFRQT-UHFFFAOYSA-N	316.726	0.661	70	10	DCIE	
C#CC1(F)CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	1965812825	YFPZKEFXSLGQPH-UHFFFAOYSA-N	321.326	0.691	70	10	DCIE	
Cc1cc(Cl)c(C(=O)NCC2CN(S(=O)(=O)F)C2)cn1	1974055773	WBTSMGJAQGYIDN-UHFFFAOYSA-N	321.761	0.919	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1[C@H]2CCC(F)(F)[C@@H]12	2355168173	NYEXBVSSFIHZFF-HRDYMLBCSA-N	312.313	0.540	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)n1	2361663612	YNHKWODYNABDAW-IONNQARKSA-N	321.109	0.378	70	10	DCIE	
Cn1nnnc1NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1520130832	PFXCPWKLOFZCOL-UHFFFAOYSA-N	319.705	0.774	70	10	DCIE	
CCc1c(-c2nnc(S(=O)(=O)Cl)n2C2CC2)nnn1C	1923533065	HLXPAVSJTFSMOZ-UHFFFAOYSA-N	316.774	0.898	70	10	DCIE	
C=C(C)CNC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1733012475	RNIAGBAPPDHHQF-VIFPVBQESA-N	303.359	0.957	70	10	DCIE	
O=C(Cn1c(=O)[nH]c2ccccc21)N1C[C@@H]2CCC[C@H](C1)N2	160685352	JHHZRHUBOQHYKK-TXEJJXNPSA-N	300.362	0.683	70	10	DCIE	
COC(=O)Cn1ncc(NC2CCC(N)CC2)c(Cl)c1=O	159756642	NHHZUQXCDYOOBE-UHFFFAOYSA-N	314.773	0.752	70	10	DCIE	
CC[C@](C)(C(=O)N1CCOC[C@@H]1C(=O)NC1CC1)C(N)=S	159780305	PTLXBOHFOHDJKA-YGRLFVJLSA-N	313.423	0.195	70	10	DCIE	
COc1cccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)c1	2144734148	XTIQNKNCQMWERW-LLVKDONJSA-N	323.367	0.758	70	10	DCIE	
CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H](S(=O)(=O)F)C1	1968234862	GKJRAVJOGHWZJI-WDEREUQCSA-N	308.375	0.437	70	10	DCIE	
C[C@@]12CC[C@@](C(=O)NCC3CN(S(=O)(=O)F)C3)(CO1)C2	1974054609	GBELXZRKMFQLDT-RYUDHWBXSA-N	306.359	0.208	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1CC[C@@H](NS(C)(=O)=O)C1	2172776228	MUWADCWQADXVAP-SNVBAGLBSA-N	322.141	0.572	70	10	DCIE	
Cc1ncnc(N2CCO[C@H]3COCC[C@@H]32)c1[B-](F)(F)F	2172764349	BIOYKADHTKILKX-UWVGGRQHSA-N	302.085	0.834	70	10	DCIE	
CS(=O)(=O)NC1CCN(c2ncncc2[B-](F)(F)F)CC1	2172776739	TXVNUDGGVWAFIL-UHFFFAOYSA-N	323.129	0.049	70	10	DCIE	
O=C(CN1C(=O)CNC1=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2194122958	DSHVGRKPCPXSHV-CPCISQLKSA-N	304.057	0.378	70	10	DCIE	
CC1(C)OCCO[C@H]1C(=O)N1CCC[C@H](S(=O)(=O)F)C1	2186788881	NTMIAJSYCAUFDD-UWVGGRQHSA-N	309.359	0.471	70	10	DCIE	
O=C(c1cc(Cl)nnc1Cl)N1CC(S(=O)(=O)F)C1	2078993759	AUIOZQLHZHYJKH-UHFFFAOYSA-N	314.125	0.907	70	10	DCIE	
CC(C)c1nnsc1C(=O)NC1CN(S(=O)(=O)F)C1	2268803222	CRONBDBMLSTOCJ-UHFFFAOYSA-N	308.360	0.290	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1C[C@@H]2C[C@@H]2CO1	2355825218	PMULQUXELGWUNO-XLPZGREQSA-N	320.754	0.301	70	10	DCIE	
O=[N+]([O-])c1ccc(S(=O)(=O)CCS(=O)(=O)Cl)nc1	112083985	WTXVPNXGUCCDDC-UHFFFAOYSA-N	314.728	0.332	70	10	DCIE	
COc1cccc(C(=O)NC[C@H](O)Cn2ccccc2=O)c1	218406198	JTBVWQAHLXPGCW-ZDUSSCGKSA-N	302.330	0.648	70	10	DCIE	
CC1(C)[C@H]2CO[C@]1(C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)C2	2359849918	MNPOMEARNVCJEX-LNLATYFQSA-N	306.359	0.206	70	10	DCIE	
Cc1ccc(C(=O)CCNC(=O)N2CCN(CCO)CC2)cc1	217281806	ULGOYHBYSKOHBY-UHFFFAOYSA-N	319.405	0.887	70	10	DCIE	
Cc1ccc(S(=O)(=O)NCC2CN(S(=O)(=O)F)C2)cc1	2164438581	RRTPXGDBOVXAIF-UHFFFAOYSA-N	322.383	0.419	70	10	DCIE	
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC(S(=O)(=O)F)C1	1897481494	MTNPYYIUMSYLIW-SECBINFHSA-N	322.358	0.506	70	10	DCIE	
C[C@H](CN(C)CCF)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1322244936	ROXIHOKOHLJJQE-MRVPVSSYSA-N	309.338	0.693	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2CCC[C@]2(CO)C1	1263854748	OECVFWRLXKPELM-TVQRCGJNSA-N	316.354	0.908	70	10	DCIE	
CC#CCNCC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1568679430	NHKMLPCCHNGUDK-JTQLQIEISA-N	315.370	0.794	70	10	DCIE	
CCC(=O)N(C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1572229535	NUKSTMNVHVQVBP-MRVPVSSYSA-N	319.358	0.660	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H](C(=O)NC)C1	160565557	KVOAPJAXAQMXJT-SNVBAGLBSA-N	322.365	0.469	70	10	DCIE	
CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2nocc2C)C1	160918061	IERIYFPHMYWMPS-SNVBAGLBSA-N	308.338	0.439	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1Cc1ccnc(C(N)=S)c1	159816098	VYVSCCOQMNKHGH-LBPRGKRZSA-N	308.407	0.053	70	10	DCIE	
CC1(C)[C@H]2CNC[C@@H]2CN1c1cnn(CCO)c(=O)c1Cl	159755348	YBWVKXVSHLHDLH-ZJUUUORDSA-N	312.801	0.323	70	10	DCIE	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)F)[C@H]2COC[C@@H]21	1882935843	RQPIFLODYUOIGT-IUCAKERBSA-N	310.347	0.521	70	10	DCIE	
C[C@@H](CCCN1CCCS(=O)(=O)CC1)S(=O)(=O)Cl	2037935603	MAKNJUWVUUOXEP-JTQLQIEISA-N	317.860	0.844	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NCCOC1CC1	715069861	XUXMKMKZNSFWTE-UHFFFAOYSA-N	306.771	0.861	70	10	DCIE	
COc1nc(N2CCC3(CN(C)C3)C2)ncc1[B-](F)(F)F	2172758944	XBIRXYKSFMZNHI-UHFFFAOYSA-N	301.101	0.682	70	10	DCIE	
CCn1nc(C(=O)N2CC(CCS(=O)(=O)F)C2)cc1C	2199683797	FQRLSIZZEOEWMO-UHFFFAOYSA-N	303.359	0.973	70	10	DCIE	
N#CC1(CS(=O)(=O)N2CCC(S(=O)(=O)F)CC2)CC1	2110056160	JXTHLWVZRPHXPV-UHFFFAOYSA-N	310.372	0.384	70	10	DCIE	
CO[C@@H](C)c1noc(Cn2cnc(S(=O)(=O)Cl)c2)n1	2113363215	LVYXDQJTEFRPLT-LURJTMIESA-N	306.731	0.949	70	10	DCIE	
O=C(CC(F)(F)C(F)F)N[C@@H]1CCN(S(=O)(=O)F)C1	2271504160	ZVURVTNWATXNFP-RXMQYKEDSA-N	310.244	0.682	70	10	DCIE	
Cc1cc(F)cnc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287063996	WRHGECZZDCDYOG-SECBINFHSA-N	305.306	0.548	70	10	DCIE	
COc1ccc(NS(=O)(=O)N2CCC[C@@H](CO)C2)cn1	218062921	YPQJDTHYGHPAAF-SNVBAGLBSA-N	301.368	0.451	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)[C@H]2CC23CCC3)C1	2134974748	JSPLNVDRSVMVKT-JTQLQIEISA-N	311.400	0.880	70	10	DCIE	
Cn1ncc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1=O	1538503320	NTZFWDWEKNDKGG-UHFFFAOYSA-N	300.271	0.019	70	10	DCIE	
CC1CCC(N2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1	160006701	WRWOTXOOQMMCNG-BPCQOVAHSA-N	322.409	0.307	70	10	DCIE	
CCN1CCO[C@H](C(=O)NCC(=O)c2ccc(OC)cc2)C1	160049514	RCHVFOBLHIRWRJ-HNNXBMFYSA-N	306.362	0.715	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccccc2CN)CCOC1	160169488	YYWBCDNITZZMJI-CYBMUJFWSA-N	300.380	0.229	70	10	DCIE	
N[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)C1	160182232	ZBCMZFFFQRCWRC-LSDHHAIUSA-N	301.390	0.637	70	10	DCIE	
O=C(CNC(=O)N1CCc2ccccc2C1)NC1(CO)CC1	160300092	YPBIYODKTQIAEW-UHFFFAOYSA-N	303.362	0.395	70	10	DCIE	
CNC(=O)[C@H]1COCCN1C[C@H](C(N)=S)c1ccccc1	159816781	LURZBJOQKHTNCI-QWHCGFSZSA-N	307.419	0.503	70	10	DCIE	
CCOc1cc(N)cc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1	159747060	MAUVAZQTUPAVER-GFCCVEGCSA-N	312.391	0.975	70	10	DCIE	
CCNc1ccncc1S(=O)(=O)NCC(=O)NC(C)(C)C	159972472	JIMOFNYZFLNMIS-UHFFFAOYSA-N	314.411	0.706	70	10	DCIE	
N#CC1CN(S(=O)(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)C1	1879798287	ZNBZMDUVLDMDFQ-NXEZZACHSA-N	308.114	1.000	70	10	DCIE	
CCc1nnc(C)cc1C(=O)N1CC(CS(=O)(=O)F)C1	1968226929	IXZXNLKTOXRZNZ-UHFFFAOYSA-N	301.343	0.719	70	10	DCIE	
COCCn1ncc(N2C[C@@H](C)NC[C@@H]2C)c(Cl)c1=O	159570179	DHYRDDYVJOHTBZ-ZJUUUORDSA-N	300.790	0.730	70	10	DCIE	
CNC[C@@H]1CCCN1c1cnn(CCOC)c(=O)c1Cl	159957572	IYYYDFZNJSYHQD-JTQLQIEISA-N	300.790	0.731	70	10	DCIE	
CNc1ccc(S(=O)(=O)NC[C@]2(OC)CCOC2)cc1	160676425	TYODTHCMHUMCAY-CYBMUJFWSA-N	300.380	0.812	70	10	DCIE	
CC(C)Cn1c([C@H]2COCCN2C)nnc1S(=O)(=O)Cl	2155748225	HOUSKMHMXICNJD-SECBINFHSA-N	322.818	0.865	70	10	DCIE	
COCCN1CC[C@H](N(C)c2ncncc2[B-](F)(F)F)C1	2172776813	USXMAGCPPBJWOA-JTQLQIEISA-N	303.117	0.688	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@]1(C)CCNC1=O	2182342427	AVYWBHDJGAAADF-LLVKDONJSA-N	321.786	0.483	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2191019719	GFCIXILFVFONBW-JUAIVUMSSA-N	302.371	0.683	70	10	DCIE	
Cc1nccn1[C@H](C)C(=O)N1CCN(S(=O)(=O)F)CC1	2186050658	LMVMXVGLWITDCO-SECBINFHSA-N	304.347	0.111	70	10	DCIE	
O=C(c1cnnn1C1CC1)N1CC(CCS(=O)(=O)F)C1	2199690068	WAILJHMOGWTEEK-UHFFFAOYSA-N	302.331	0.374	70	10	DCIE	
CCCn1c(-c2cc(=O)cc[nH]2)nnc1S(=O)(=O)Cl	2269652184	TTWNAANJQXIVRJ-UHFFFAOYSA-N	302.743	0.971	70	10	DCIE	
Cc1cnc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)c([B-](F)(F)F)c1	2336519527	GJKCYKYGHSIPNR-WCBMZHEXSA-N	305.110	0.678	70	10	DCIE	
O=S1(=O)CC[C@@H]2CN(c3ccncc3[B-](F)(F)F)C[C@@H]21	2116143521	BFSYIYNPFZTJRE-KCJUWKMLSA-N	305.110	0.759	70	10	DCIE	
CCOC(=O)CCS(=O)(=O)NC[C@H]1CCCN1CC(C)C	160309363	LBHNPUCJFBOYRK-CYBMUJFWSA-N	320.455	0.979	70	10	DCIE	
O=C(CCN1CCSC1=O)N1CC[C@@H](S(=O)(=O)F)C1	1968234789	FUZPDBJEUYPMIK-MRVPVSSYSA-N	310.372	0.446	70	10	DCIE	
CN1CCCC[C@@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974402683	PZDRBGCNLOIUPL-LLVKDONJSA-N	307.391	0.266	70	10	DCIE	
NC(=O)NCCNc1nc(C(F)(F)F)ccc1C(N)=S	160893562	BADZBDZKKZBIQE-UHFFFAOYSA-N	307.301	0.815	70	10	DCIE	
COCCC1(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)CC1	2195211597	NBBCIZMHFJRQTQ-UHFFFAOYSA-N	322.770	0.693	70	10	DCIE	
CN1CCN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)CC12CC2	2188414773	CIDQEKXCGIDKNU-UHFFFAOYSA-N	317.798	0.862	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CNC(=O)O1	2182344355	PDWRIHIOKCTOKL-ZETCQYMHSA-N	323.758	0.456	70	10	DCIE	
CC(C)(C)CS(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2045263194	CZTXPXYTPPWESO-UHFFFAOYSA-N	302.393	0.194	70	10	DCIE	
CC(=O)c1cccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)c1	2199692316	IIOAEZGQMVQPLM-UHFFFAOYSA-N	321.351	0.561	70	10	DCIE	
Cc1nccn1[C@H](C)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287075755	ORWOWIQGPOMJKA-PSASIEDQSA-N	304.347	0.157	70	10	DCIE	
O=C(N1CCC[C@@H](S(=O)(=O)F)C1)[C@]12COC[C@H]1C2(F)F	2354593185	MUFIYSRSABFCMW-MRTMQBJTSA-N	313.297	0.558	70	10	DCIE	
Cc1ccc(OCNC(=O)N2CCN(CCO)CC2)cc1C	217293107	PZTLKJPJMBMOLA-UHFFFAOYSA-N	307.394	0.959	70	10	DCIE	
O=C1N=C=NC(=S=C2N=C=NN2)[C-]1I	725528309	ACGLCYOJTGRWBI-UHFFFAOYSA-N	318.079	0.310	70	10	DCIE	
COc1ccc(NS(N)(=O)=O)cc1S(=O)(=O)Cl	100635317	MVNZHTJKWPMBRY-UHFFFAOYSA-N	300.745	0.238	70	10	DCIE	
CNC(=O)[C@H]1COCCN1[C@@H](CC(N)=S)c1ccccc1	159818525	KRLUBCXHZMZFLH-QWHCGFSZSA-N	307.419	0.851	70	10	DCIE	
Cc1cnn(Cc2cc(C(=O)NCCNC(=O)C(C)C)no2)c1	159478980	XCNYIZOCDMROKN-UHFFFAOYSA-N	319.365	0.730	70	10	DCIE	
CC(=O)c1ccc(OC[C@@H](O)CO)c(S(=O)(=O)Cl)c1	261025595	IOGQOSHAOHXKNZ-VIFPVBQESA-N	308.739	0.549	70	10	DCIE	
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H](S(=O)(=O)F)C1	2144734119	XHJYCEBESMEOLT-MRVPVSSYSA-N	305.287	0.827	70	10	DCIE	
CCn1c([C@@H]2CCc3nncn3C2)nnc1S(=O)(=O)Cl	2159910230	PUUGMQSDYQMTIQ-SSDOTTSWSA-N	316.774	0.547	70	10	DCIE	
Cc1cc(N(C)CCS(=O)(=O)N(C)C)ncc1[B-](F)(F)F	2172772473	OEDPDIPIRLJAOH-UHFFFAOYSA-N	324.157	0.772	70	10	DCIE	
C=CCN(C)S(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2045191549	LWYZYHXOFGOZGY-VIFPVBQESA-N	300.377	0.113	70	10	DCIE	
COc1cc(C(=O)N2CC(S(=O)(=O)F)C2)cc(OC)n1	2199694336	ASLVYXMBBQDRSI-UHFFFAOYSA-N	304.299	0.223	70	10	DCIE	
O=C(c1cnc(Cl)cn1)N1CCN(S(=O)(=O)F)CC1	2107405233	UJTPDBBPNNQJHM-UHFFFAOYSA-N	308.722	0.102	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@H]32)c1S(=O)(=O)Cl	2118014924	OFSRJWZYIBKCAF-ZMONIFLSSA-N	305.743	0.020	70	10	DCIE	
C#CCC1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	2202431417	ZQSPYFOUYWCUBJ-UHFFFAOYSA-N	317.363	0.989	70	10	DCIE	
Cc1[nH]nc(C(=O)NCC[C@H]2CCO2)c1S(=O)(=O)Cl	2278596979	GVOCVDVNFMILJI-ZETCQYMHSA-N	307.759	0.554	70	10	DCIE	
CNC(=O)c1cc(S(C)(=O)=O)cc(S(=O)(=O)Cl)c1	114560022	BKOGVLOWELGDAB-UHFFFAOYSA-N	311.768	0.377	70	10	DCIE	
O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(S(=O)(=O)Cl)c[nH]1	115782456	WIDYWBIUTDZNAC-MRVPVSSYSA-N	317.798	0.909	70	10	DCIE	
COc1ccc(C(=O)NC[C@@H](O)Cn2ccccc2=O)cc1	218406457	LTBBGBNJRTUSDK-CYBMUJFWSA-N	302.330	0.648	70	10	DCIE	
CCc1nc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)no1	215904123	TVXUXJDMHRHRGE-UHFFFAOYSA-N	321.702	0.713	70	10	DCIE	
NS(=O)(=O)N1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1	218193245	QBTQINRETYXWLJ-UTUOFQBUSA-N	301.412	0.160	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ncc([B-](F)(F)F)cn3)C[C@@H]2C1	2116144352	DSOOHOCDXVWOFU-OCAPTIKFSA-N	306.098	0.012	70	10	DCIE	
O=C(N[C@@H]1COCC1(F)F)c1cc(S(=O)(=O)Cl)c[nH]1	2131124926	CWFOKARLIGOVPZ-SSDOTTSWSA-N	314.697	0.706	70	10	DCIE	
COC(C)(C)CS(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2134975795	FSQSFBKILUGWFP-UHFFFAOYSA-N	317.404	0.362	70	10	DCIE	
C#CCN[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(C)C	1698972496	NMVKXTGVMFLXCR-LBPRGKRZSA-N	315.370	0.650	70	10	DCIE	
CNC(=O)c1cccc(CCC(=O)NC[C@@]2(O)CCSC2)c1	160222078	CTBWNRQZVRBMSC-INIZCTEOSA-N	322.430	0.963	70	10	DCIE	
COc1nc(Cl)nc(N2CCOC[C@H]2C(=O)NC(C)C)n1	160282853	JHZAKMSSCMDXLZ-QMMMGPOBSA-N	315.761	0.263	70	10	DCIE	
O=C(CCNC(=O)N1CCc2ccccc2C1)NC1(CO)CC1	160482219	MPINXDHHZZQLIL-UHFFFAOYSA-N	317.389	0.786	70	10	DCIE	
N[C@@H]1CCC[C@H](NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1	160889085	ZGJLZAQSXAETJO-MNOVXSKESA-N	316.361	0.076	70	10	DCIE	
C[C@@H]1CN(c2cnn(CCN(C)C)c(=O)c2Cl)C[C@@H](C)N1	159451404	MNEZYEQNKJOVNS-GHMZBOCLSA-N	313.833	0.645	70	10	DCIE	
O=C(CN1CCCCCCC1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	7525376	HRTZZNYRPYMUAH-NWDGAFQWSA-N	322.858	0.773	70	10	DCIE	
COCCn1cccc1C(=O)N1CC[C@H](S(=O)(=O)F)C1	2144733272	OGGVKDXMYALNFL-JTQLQIEISA-N	304.343	0.648	70	10	DCIE	
Cc1cc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)nc(C)n1	1968236371	VNDZCRAZZLSPDY-JTQLQIEISA-N	301.343	0.997	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CCCC1(F)F	1974055560	SKGBVSUQHVRLFH-QMMMGPOBSA-N	300.302	0.684	70	10	DCIE	
COc1cc([C@H](O)[C@H]2CCS(=O)(=O)C2)cc2c1OCO2	160076460	CAJXWYSETHTTBJ-QPUJVOFHSA-N	300.332	0.892	70	10	DCIE	
COCCNCc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]2C)o1	160353715	ZHZPJFNEIITEOL-WDEREUQCSA-N	302.396	0.950	70	10	DCIE	
O=S1(=O)CC[C@@H](NCc2nc([C@H]3CCCS3)no2)C1	160589803	SRRQQKFTWHOWGF-RKDXNWHRSA-N	303.409	0.914	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@@H]1[C@@H]2CCO[C@@H]21	2176432125	LEWVTQLYBZCHGP-NGZCFLSTSA-N	318.782	0.717	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1C2C[C@@H]3C1[C@@H]3C2	2191168722	XNZXHKKKZRKABH-KSCSTKPHSA-N	316.766	0.778	70	10	DCIE	
O=C([C@@H]1CCCc2nccn21)N1CC[C@H](S(=O)(=O)F)C1	2186050301	IGSJMTPBFRAYGU-UWVGGRQHSA-N	301.343	0.661	70	10	DCIE	
Cc1csc(=O)n1CC(=O)N1CC[C@@H](S(=O)(=O)F)C1	2088471558	IRGKMAFQOHYGBG-MRVPVSSYSA-N	308.356	0.118	70	10	DCIE	
CO[C@H](c1nnc(S(=O)(=O)Cl)n1C)[C@@H]1CCCOC1	2093880734	XOWRSBZDEFFKNS-SFYZADRCSA-N	309.775	0.857	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)[C@@H]2CCS(=O)(=O)C2)n1	2280641619	PWDBICJHHHKBJX-MRVPVSSYSA-N	323.125	0.768	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC1=CCCOC1	2353508112	WXENWUNKICPJQO-UHFFFAOYSA-N	306.727	0.223	70	10	DCIE	
COc1cc(C(=O)N2CCC(S(=O)(=O)F)CC2)ccn1	2166946699	BMQJHOXQABKOAK-UHFFFAOYSA-N	302.327	0.994	70	10	DCIE	
CS(=O)(=O)N[C@H]1CCN(c2ncccc2[B-](F)(F)F)C1	2116145001	JJGNYDCTJWLOPB-QMMMGPOBSA-N	308.114	0.264	70	10	DCIE	
COc1cnc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)nc1	1539979986	YMVTWCDMSJTPIP-UHFFFAOYSA-N	300.271	0.724	70	10	DCIE	
O=S(=O)(Cl)c1cn(Cc2nn[nH]n2)c(C2CCC2)n1	1922270345	CSAXVAPKHFJNKU-UHFFFAOYSA-N	302.747	0.640	70	10	DCIE	
CCc1c(C(=O)N2CCC(S(=O)(=O)F)CC2)nnn1C	1923533220	KIRIIGHPOUWDOE-UHFFFAOYSA-N	304.347	0.281	70	10	DCIE	
COC(=O)c1cc(S(=O)(=O)NCCOC(C)C)ccc1O	160829875	CXPXGONLXLFCRM-UHFFFAOYSA-N	317.363	0.882	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1cncc(O)c1	1974402533	OLEZDNHINJPYEF-UHFFFAOYSA-N	303.315	0.196	70	10	DCIE	
CCCn1ncc(N2CCO[C@@H]([C@@H](C)N)C2)c(Cl)c1=O	159953319	LROJAFCOGHAHLJ-MWLCHTKSSA-N	300.790	0.859	70	10	DCIE	
COCCn1c(CN2CCCCC2)nnc1S(=O)(=O)Cl	2148795817	QNNOHNXZESBXNV-UHFFFAOYSA-N	322.818	0.838	70	10	DCIE	
CC(C)(CO)CNS(=O)(=O)CCOc1cccc(N)c1	160042693	DZCQYKQTYQMUFD-UHFFFAOYSA-N	302.396	0.586	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1C[C@@H]2OCC[C@@H]21	2151831147	SPUXJDGMVHPAEK-KKZNHRDASA-N	318.782	0.860	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)[C@H]2CCCOC2)c1S(=O)(=O)Cl	401440234	BNEWUJHBCJOULN-QMMMGPOBSA-N	321.786	0.897	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CCCN(CCCS(=O)(=O)Cl)C1	381287252	WQZICNLYPAHWJZ-SNVBAGLBSA-N	317.860	0.702	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)C[C@@H]2CN(C)CCO2)n1	2172769311	VSTWBGXOXMGEBJ-JTQLQIEISA-N	303.117	0.606	70	10	DCIE	
CO[C@@H]1CS(=O)(=O)C[C@@H]1Oc1ccc(S(=O)(=O)F)cc1	2191430431	CFLJHQADRFFCDE-MNOVXSKESA-N	324.351	0.536	70	10	DCIE	
O=C([C@@H]1CN2CCC1CC2)N1CC(CCS(=O)(=O)F)C1	2199683552	BBAZRYSQXZICDX-GFCCVEGCSA-N	304.387	0.476	70	10	DCIE	
O=C(N1CC[C@H](S(=O)(=O)F)C1)[C@@]12CC[C@@](CF)(C1)OC2	2290485238	PHCFGDCRABAZTD-DLOVCJGASA-N	309.334	0.795	70	10	DCIE	
O=C(c1cc(Br)ccn1)N1CC(S(=O)(=O)F)C1	2299710415	XNOSIGXZFUGPGN-UHFFFAOYSA-N	323.143	0.968	70	10	DCIE	
CC(=O)Oc1cccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1	217265401	JBLHDVQBXKIPSJ-LLVKDONJSA-N	312.347	0.921	70	10	DCIE	
O=C(N[C@@H]1[C@H]2C[C@@H]3CO[C@H]1[C@H]3C2)c1cc(S(=O)(=O)F)c[nH]1	1350017214	XHWYONKXYWFSHE-BKMRLMSCSA-N	314.338	0.826	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)[C@@H]2CCCC[C@H]2F)C1	2134991522	ZPTRVAZFIXYYDO-NXEZZACHSA-N	317.379	0.828	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1Cc1nnc(NCC)s1	160387213	OYLOUNUAKYTJPG-JTQLQIEISA-N	313.427	0.697	70	10	DCIE	
C[C@H](N)c1cccc(S(=O)(=O)NCCNC(=O)N(C)C)c1	160937351	XQNKENSRHFGTPD-JTQLQIEISA-N	314.411	0.256	70	10	DCIE	
CNS(=O)(=O)CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21	159740890	ZVLLWVAXROTZCQ-NSHDSACASA-N	312.391	0.954	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccc(Cl)cc1O	1974060733	XAPHRQGVKMKWSF-UHFFFAOYSA-N	322.745	0.922	70	10	DCIE	
O=C(CCc1ccccn1)N1CCN(S(=O)(=O)F)CC1	1974000806	HFFMLIKANURYFT-UHFFFAOYSA-N	301.343	0.373	70	10	DCIE	
Cc1ccc(S(=O)(=O)NCCS(=O)(=O)Cl)c(F)c1	404921799	RTMDWZFRVRUXQW-UHFFFAOYSA-N	315.775	0.981	70	10	DCIE	
CO[C@@H](C)c1noc(Cn2cc(S(=O)(=O)Cl)cn2)n1	2113363568	NDTKZQZLJCIIQC-LURJTMIESA-N	306.731	0.949	70	10	DCIE	
Cc1cc(C)c(C#N)c(S(=O)(=O)CCS(=O)(=O)Cl)n1	112215134	DLIHORMMTOFXTO-UHFFFAOYSA-N	322.795	0.912	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CCS(=O)(=O)CC	127589256	XQVAZWZOYXXYMW-UHFFFAOYSA-N	314.816	0.808	70	10	DCIE	
CCN(CC)CCCNS(=O)(=O)N1CCCC[C@H]1CO	218634182	MWRADIBXHOSBTB-ZDUSSCGKSA-N	307.460	0.400	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C2(C(C)(F)F)CC2)[nH]1	1923155899	GLFRFIMSIIVCQT-UHFFFAOYSA-N	311.285	0.874	70	10	DCIE	
COCCn1c(C23COC(C)(C2)C3)nnc1S(=O)(=O)Cl	2156692483	IXNWRNZSYATSDX-UHFFFAOYSA-N	321.786	0.673	70	10	DCIE	
O=[N+]([O-])c1nn(CCc2cnccn2)cc1S(=O)(=O)Cl	402610605	WREXRXQXPDTSKL-UHFFFAOYSA-N	317.714	0.752	70	10	DCIE	
CCO[C@H]1CC[C@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C1	2174879585	DRXFVQXBXVUDRM-QWRGUYRKSA-N	308.375	0.454	70	10	DCIE	
O=C(CCN1CCCC1)NC1CCN(S(=O)(=O)F)CC1	2169028844	WXCPVNCQGAGGLP-UHFFFAOYSA-N	307.391	0.267	70	10	DCIE	
N#CC1(CS(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)CCC1	2110056545	PCLWCBSGYRDXFJ-SECBINFHSA-N	310.372	0.384	70	10	DCIE	
CN(C)S(=O)(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12	217625642	OJBPTBJPOCKNPQ-AWEZNQCLSA-N	310.375	0.955	70	10	DCIE	
N#CC1(F)CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	2365168556	KWHBCQXQNIDKNF-UHFFFAOYSA-N	322.314	0.581	70	10	DCIE	
COCCn1c([C@@H]2CO[C@@H](C)C2)nnc1S(=O)(=O)Cl	133661738	CTSNTJGBISCZOP-YUMQZZPRSA-N	309.775	0.744	70	10	DCIE	
C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(S(=O)(=O)F)C1	1954655852	JYRJLLZBDGWRIT-BQBZGAKWSA-N	306.281	0.980	70	10	DCIE	
CCS(=O)(=O)[C@@H]1CCN(c2ncncc2[B-](F)(F)F)C1	2123310166	ZOFNYKWHHGQCPL-MRVPVSSYSA-N	308.114	0.544	70	10	DCIE	
C[C@@H](O)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	1559247188	GFONAHBPRIOFLB-HQJQHLMTSA-N	322.314	0.548	70	10	DCIE	
CC(C)CN[C@@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1725545541	TZAWLTXOCQHQAV-SECBINFHSA-N	321.374	0.009	70	10	DCIE	
CC1(C)CN(C(=O)c2[nH]nc3c2CCCC3)CCS1(=O)=O	160148853	MZPKUGZIKFXDFZ-UHFFFAOYSA-N	311.407	0.938	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c1F	159546627	YFEYVHIFZBYCCC-LLVKDONJSA-N	317.386	0.325	70	10	DCIE	
C#CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	1963988189	OBIYCMMUGVLJII-UHFFFAOYSA-N	305.352	0.989	70	10	DCIE	
CCc1nc(C)c(C(=O)N2CCN(S(=O)(=O)F)CC2)o1	1974001107	NCHKGNLXQJGSPZ-UHFFFAOYSA-N	305.331	0.518	70	10	DCIE	
CCCNc1ncc(S(=O)(=O)N(C)[C@H]2CCOC2)cn1	161003535	QAPCUUACFGENPD-JTQLQIEISA-N	300.384	0.708	70	10	DCIE	
O=C([C@@H]1C[C@@H]2CC[C@H](C1)O2)N1CCN(S(=O)(=O)F)CC1	2181310192	ALHFLEBIDSCWDV-JGPRNRPPSA-N	306.359	0.303	70	10	DCIE	
CC[C@H](C)NC(=O)Cn1cc(S(=O)(=O)Cl)nc1COC	2182343341	MOFBINFUKHYGNA-QMMMGPOBSA-N	323.802	0.872	70	10	DCIE	
C[C@@H]1C(S(=O)(=O)NC2CCN(S(=O)(=O)F)CC2)[C@H]1C	2112719183	YEXOKCJBHLPIOV-YUMQZZPRSA-N	314.404	0.239	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CC(C[S@](C)=O)C2)n1	2116128919	RGOXJLSAIOAGRP-FQEVSTJZSA-N	306.142	0.963	70	10	DCIE	
CS(=O)(=O)C1CC(COCCCS(=O)(=O)Cl)C1	2307452653	OEJYTGMJRKPTPK-UHFFFAOYSA-N	304.817	0.785	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1CC(=O)NC(C)C	306040004	YKVGYCAENWSGEP-UHFFFAOYSA-N	324.746	0.552	70	10	DCIE	
COC[C@@H](CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1)OC	234753475	AYWVZAVDIIGATE-SSDOTTSWSA-N	310.759	0.333	70	10	DCIE	
O=C(NC1COC1)[C@H]1COc2ccc(S(=O)(=O)Cl)cc21	2165339900	HFHPGVYWUMENOZ-JTQLQIEISA-N	317.750	0.605	70	10	DCIE	
O=C([C@@H]1C[C@@H]1Br)N1CCN(S(=O)(=O)F)CC1	1897126508	XSWWSWWBQSDQSH-RQJHMYQMSA-N	315.164	0.128	70	10	DCIE	
CCS(=O)(=O)NC1CN(c2ccncc2[B-](F)(F)F)C1	2116153256	ONOZLJKKXOCREO-UHFFFAOYSA-N	308.114	0.264	70	10	DCIE	
CC#CCNC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1274926151	STMADUZJNZTFEH-SECBINFHSA-N	301.343	0.404	70	10	DCIE	
Cc1cc(C[C@@H](C)NC(=O)CCCN2C(=O)CN(C)C2=O)n[nH]1	161084692	NWJCPZDGBHOKAT-SNVBAGLBSA-N	321.381	0.440	70	10	DCIE	
CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H](O)C1)CC2	161367201	UQJFZLULLANUSS-NEPJUHHUSA-N	307.398	0.883	70	10	DCIE	
C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1	160710837	RTQMRGJLUQMCCV-JHJVBQTASA-N	315.439	0.564	70	10	DCIE	
CO[C@H]1CC[C@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)C1	1974394770	OYXOUJWKVRJPCY-ONGXEEELSA-N	308.375	0.596	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1ccc(CO)o1	1974394686	NJXBBBNUMYQIAN-UHFFFAOYSA-N	306.315	0.180	70	10	DCIE	
CNc1nnc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)s1	160375841	YWZUFXJPSHAQSO-ZCFIWIBFSA-N	322.437	0.140	70	10	DCIE	
O=S(=O)([C@@H]1CCCNC1)N1CC[C@]2(O)CCCC[C@H]2C1	160802424	WORIQQGOJSFZKX-BFHYXJOUSA-N	302.440	0.695	70	10	DCIE	
Cc1nc(N2CCN3CCOC[C@@H]3C2)ncc1[B-](F)(F)F	2185883184	WCLCHCUZCDMSGU-JTQLQIEISA-N	301.101	0.360	70	10	DCIE	
CC[C@@H](Oc1ccc(S(=O)(=O)F)cc1C(=O)O)C(N)=O	2191434758	NPPPLMHFVKFMEX-MRVPVSSYSA-N	305.283	0.686	70	10	DCIE	
O=[N+]([O-])c1nn(C[C@@]2(F)CCOC2)cc1S(=O)(=O)Cl	2229927028	QXXGAULTHCHMLL-QMMMGPOBSA-N	313.694	0.847	70	10	DCIE	
C[C@]1(C(=O)NC2CN(S(=O)(=O)F)C2)C[C@@H]1C(F)(F)F	2268803449	GCGBAYYJQNMYOS-XPUUQOCRSA-N	304.265	0.590	70	10	DCIE	
CNc1ccccc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287064980	HYLPVPAXZSFTGP-SECBINFHSA-N	301.343	0.747	70	10	DCIE	
Cn1nnc(Br)c1COS(=O)(=O)C(F)(F)F	307451719	SMVOBBWQKMWLOI-UHFFFAOYSA-N	324.078	0.944	70	10	DCIE	
Cc1[nH]nc(C(=O)OCC2[C@H]3COC[C@H]23)c1S(=O)(=O)Cl	2367586710	OXGLMKCUMZFDOS-BQBZGAKWSA-N	320.754	0.695	70	10	DCIE	
CC#CCN[C@@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1317405091	DXJXWZXCBVBBKQ-JTQLQIEISA-N	315.370	0.794	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@@H]2C[C@@H]2F)c1S(=O)(=O)Cl	2131800446	MTDNJMYDQJQTIR-WDSKDSINSA-N	309.750	0.987	70	10	DCIE	
O=C(N1CCC(S(=O)(=O)F)CC1)[C@]12CO[C@](CF)(C1)C2	2202585862	BYUZIPQXABYHRL-HAQNSBGRSA-N	309.334	0.795	70	10	DCIE	
Cn1ccnc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1=O	1539314701	KHFBHDYXASSQID-UHFFFAOYSA-N	300.271	0.019	70	10	DCIE	
Cc1[nH]nc(C(=O)NCC[C@@H]2CCCO2)c1S(=O)(=O)Cl	115798163	RIWPDVOIRWPYTM-QMMMGPOBSA-N	321.786	0.945	70	10	DCIE	
C[C@@H]1CC[C@@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)S1	1923174019	MIQUCLGMQVNIJA-RQJHMYQMSA-N	307.372	0.723	70	10	DCIE	
O=C(NNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC1CCCC1	1584045325	SJNYOIFRJWWOLG-UHFFFAOYSA-N	318.330	0.560	70	10	DCIE	
COCCCN(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1663277176	ZJDLLHIAJHPTOS-UHFFFAOYSA-N	321.374	0.371	70	10	DCIE	
O=C(CCBr)N1CCN(S(=O)(=O)F)CC1	1959776408	OMLDWAFYWRWNCM-UHFFFAOYSA-N	303.153	0.130	70	10	DCIE	
COC[C@@H](C)N[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1774037801	FSTIHKSKSBOCJR-DTWKUNHWSA-N	321.374	0.416	70	10	DCIE	
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC1(CO)CC1	160234861	WAOOKNZJWLRNKX-UHFFFAOYSA-N	324.402	0.690	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cccc([C@H](C)N)c2)CCOC1	160661251	UXRIFJOUIFIZSW-SMDDNHRTSA-N	314.407	0.790	70	10	DCIE	
COc1cc(OC)nc(N2CCN([C@@H](C)C(N)=S)CC2)n1	159765109	UZNAEIQVTGXGRJ-VIFPVBQESA-N	311.411	0.290	70	10	DCIE	
C[C@H](O)[C@@H](N)CNc1c(Cl)cnn(CC2CCC2)c1=O	159558056	XFIWKFJHFLJTFC-KWQFWETISA-N	300.790	0.817	70	10	DCIE	
CCS(=O)(=O)[C@H]1CSCCN1C(=O)c1nnc(N)s1	160376116	RNRNVYDFZQOQJR-LURJTMIESA-N	322.437	0.070	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)n1	2172768434	IZSZDVQXUXCWME-UWVGGRQHSA-N	319.137	0.925	70	10	DCIE	
C[C@H]1[C@@H](C)N(CCCCS(=O)(=O)Cl)CCS1(=O)=O	2050971161	XEDLEOUFYYVQTM-ZJUUUORDSA-N	317.860	0.843	70	10	DCIE	
C[C@H](F)CS(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	2057410649	WYISSFZFALCJEO-YFKPBYRVSA-N	303.312	0.178	70	10	DCIE	
COCCn1c(-c2ncoc2C)nnc1S(=O)(=O)Cl	2104056137	ZSMGWVJIPKZDJS-UHFFFAOYSA-N	306.731	0.815	70	10	DCIE	
CC1(C)OCCC[C@@H]1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287065727	PWNSHNNVVUVVGM-NXEZZACHSA-N	308.375	0.596	70	10	DCIE	
CC(=O)N1CCN(C(=O)N[C@@H](C)Oc2ccc(O)cc2)CC1	217277529	DDLCQPLBOXPMQF-LLVKDONJSA-N	307.350	0.991	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1C[C@H]2C=C[C@H]1CCC2	2364070136	JSBUVCYWPMWPED-FOGDFJRCSA-N	302.371	0.994	70	10	DCIE	
C[C@@H]1CCN(S(=O)(=O)Cl)C[C@@H]1NC(=O)C(F)(F)F	1953573041	GPDCSPFAPZVSOT-RITPCOANSA-N	308.709	0.859	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2O)cc1	1614994805	IVNNQUAQUXEQTK-QWRGUYRKSA-N	323.367	0.537	70	10	DCIE	
CNS(=O)(=O)CCCN1CCC([C@@H](O)C(F)(F)F)CC1	161458149	MJRVSDLHFZCBRC-SNVBAGLBSA-N	318.361	0.561	70	10	DCIE	
COC(C)(C)CNC(=O)c1cc(F)c(C)c(S(N)(=O)=O)c1	161484458	DESNSHNLYBZGGJ-UHFFFAOYSA-N	318.370	0.936	70	10	DCIE	
O=C(NC[C@]1(CCO)CCOC1)c1ncn(-c2ccccc2)n1	160221267	VGLSYUHRWFGPMI-INIZCTEOSA-N	316.361	0.786	70	10	DCIE	
COC(=O)[C@@H](C)CS(=O)(=O)NC[C@H]1CCCN1CC(C)C	160291190	OYKBZKORZDIRPJ-QWHCGFSZSA-N	320.455	0.835	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)[C@](C)(N)C(F)(F)F	159602450	RXVLNMHSRNCSRV-KWQFWETISA-N	311.304	0.020	70	10	DCIE	
O=C(c1cncc(Cl)c1)N1CCN(S(=O)(=O)F)CC1	1974000989	KTZOMZRCCNFBGG-UHFFFAOYSA-N	307.734	0.707	70	10	DCIE	
CN(CC1CCNCC1)c1cnn(CCO)c(=O)c1Cl	159784269	YTKZKFZMPWVVIX-UHFFFAOYSA-N	300.790	0.325	70	10	DCIE	
NC(=O)NCCNC[C@H](O)COCc1ccccc1Cl	160968193	UZBQTPBVEXWXBJ-NSHDSACASA-N	301.774	0.475	70	10	DCIE	
CCCn1c([C@@H]2CN(C)CCN2C)nnc1S(=O)(=O)Cl	2155748574	KNXLDGWBXGTXIF-VIFPVBQESA-N	321.834	0.534	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CCO[C@H]3C[C@H]32)cc1	2171916774	IURSPFUVAJWTSI-MNOVXSKESA-N	321.351	0.507	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CCOC2(C)C)c1S(=O)(=O)Cl	394234290	TURJMUIRIIYWIE-SSDOTTSWSA-N	321.786	0.943	70	10	DCIE	
CSc1nc(C)nc(C)c1C(=O)N1CC(S(=O)(=O)F)C1	2199694479	RROPTBUHOJYEIE-UHFFFAOYSA-N	319.383	0.939	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1nnc(Cl)s1	2258975460	IAHOKCAGZUWFLE-BYPYZUCNSA-N	314.751	0.210	70	10	DCIE	
Cc1nn(Cc2nnc(C)n2C)c(C)c1S(=O)(=O)Cl	215870842	HWYAZHZDNNTBAK-UHFFFAOYSA-N	303.775	0.913	70	10	DCIE	
CC1(C)CC(CS(=O)(=O)N2CC(CS(=O)(=O)F)C2)C1	2134975408	OZMMBANLDJYJEB-UHFFFAOYSA-N	313.416	0.984	70	10	DCIE	
O=C(c1ccc(Cn2ccnc2)o1)N1CC[C@@H](CO)[C@H](O)C1	216812237	QKSSTAJMTNZLBD-WCQYABFASA-N	305.334	0.340	70	10	DCIE	
COC(C)(C)CNC(=O)c1cc(C)c(F)c(S(N)(=O)=O)c1	161486406	RPBOMNCODADPJB-UHFFFAOYSA-N	318.370	0.936	70	10	DCIE	
CCc1nc(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)n[nH]1	160264656	DRUXOCPWRWDHHE-SECBINFHSA-N	309.395	0.865	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1C(=O)c1cccc(N)c1Cl	160336667	KSMVEFYGLIIUQK-NSHDSACASA-N	311.769	0.899	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccccc1	160518569	CSWQVUQJIULTSO-ZDUSSCGKSA-N	312.391	0.602	70	10	DCIE	
CCN(CC)CC(=O)N1CCN(CC2(O)CCOCC2)CC1	159840429	VFDOFZMKQLOQFZ-UHFFFAOYSA-N	313.442	0.014	70	10	DCIE	
CC1(C)CO[C@H](CC(=O)N2CCN(S(=O)(=O)F)CC2)C1	1974013940	CDSAPGVTYPZIDM-SNVBAGLBSA-N	308.375	0.550	70	10	DCIE	
CS(=O)(=O)c1ccc([S@](=O)CC(=O)[C@H]2CCOC2)cc1	159539687	KOVRBMZAWMDNMJ-OVWNDWIMSA-N	316.400	0.803	70	10	DCIE	
Nc1csc(S(=O)(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1	160066208	GSKKFPNHQULSEX-SCZZXKLOSA-N	315.420	0.620	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1c1nc(Cl)nc(Cl)n1	160276101	DNRXEKWCCBAULE-ZETCQYMHSA-N	320.180	0.910	70	10	DCIE	
CS(=O)(=O)C[C@H]1CCCN1CCCCS(=O)(=O)Cl	2033838570	LIBUJAUAKLFXAN-SNVBAGLBSA-N	317.860	0.844	70	10	DCIE	
COc1cscc1C(=O)N1CCN(S(=O)(=O)F)CC1	2107410770	JSPQEONHDGPIHN-UHFFFAOYSA-N	308.356	0.729	70	10	DCIE	
COc1cc(C)ncc1C(=O)NC1CN(S(=O)(=O)F)C1	2284150632	LKFIKEMGDUJZEW-UHFFFAOYSA-N	303.315	0.027	70	10	DCIE	
CCn1c(-c2nnn3ccccc23)nnc1S(=O)(=O)Cl	2289193691	IXLQJBWNRARWQQ-UHFFFAOYSA-N	312.742	0.935	70	10	DCIE	
CCS(=O)(=O)CCCn1cc(S(=O)(=O)Cl)cn1	114497323	NDRWVPMKGCWPKC-UHFFFAOYSA-N	300.789	0.635	70	10	DCIE	
O=S1(=O)CC[C@@H]2CN(c3ccncc3[B-](F)(F)F)C[C@H]21	2116143523	BFSYIYNPFZTJRE-LDYMZIIASA-N	305.110	0.759	70	10	DCIE	
O=C(CCn1ccnn1)Nc1ncc(S(=O)(=O)F)s1	1530976875	XOLJYUBMTOKWBU-UHFFFAOYSA-N	305.316	0.422	70	10	DCIE	
CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1cnn(C)c1)CC2	159373406	PFUVHBBRBASVBX-SNVBAGLBSA-N	324.410	0.428	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@]2(C)CCCOC2)c1S(=O)(=O)Cl	235848009	XTIHEXRJBVVSIG-NSHDSACASA-N	321.786	0.945	70	10	DCIE	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCC2CN(S(=O)(=O)F)C2)[C@@H]1C	1974055415	QSXJPFFTBKINNB-LOKLDPHHSA-N	308.375	0.308	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2COCC[C@@H]2C)c1S(=O)(=O)Cl	2152555395	VTBPSSNNCWZHKM-XPUUQOCRSA-N	321.786	0.800	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CCCCN1c1ncc([B-](F)(F)F)cn1	2172772663	QJPNMHHSOPZJKX-JTQLQIEISA-N	322.141	0.935	70	10	DCIE	
CC(C)c1[nH]nc(C(=O)NC[C@H]2CCO2)c1S(=O)(=O)Cl	2189563327	MVTZAJCKZXFQIQ-SSDOTTSWSA-N	321.786	0.979	70	10	DCIE	
CC[C@H](Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)F)C(N)=O	2191432543	PCIORJVGSDBKJH-ZETCQYMHSA-N	306.271	0.896	70	10	DCIE	
O=C(N1CCC[C@H](S(=O)(=O)F)C1)C12COC(CF)(C1)C2	2202593386	VHRBLKSATSMYCS-GCVQQVDUSA-N	309.334	0.795	70	10	DCIE	
O=c1cccc(-c2nnc(S(=O)(=O)Cl)n2C2CC2)[nH]1	236027712	HCIQOLQDGCRFGU-UHFFFAOYSA-N	300.727	0.896	70	10	DCIE	
C[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)c1nnnn1C	1134778085	DSTCPSNTRPCYFI-ZETCQYMHSA-N	313.314	0.359	70	10	DCIE	
CCN(CCCCS(=O)(=O)Cl)[C@H]1CCS(=O)(=O)C1	689011530	NQWQIBAGHWKATP-JTQLQIEISA-N	317.860	0.844	70	10	DCIE	
Cc1nc(N2CC[C@H](S(C)(=O)=O)C2)ncc1[B-](F)(F)F	2123305979	OKSMHXKNBVVFPM-QMMMGPOBSA-N	308.114	0.463	70	10	DCIE	
CS(=O)(=O)C[C@H]1CCCN1c1ncc([B-](F)(F)F)cn1	2116137410	XYROKHAURFZHCQ-SECBINFHSA-N	308.114	0.544	70	10	DCIE	
CN(C[C@H]1CCS(=O)(=O)C1)c1ncc([B-](F)(F)F)cn1	2116136991	RGHMNKVYFYGMMA-MRVPVSSYSA-N	308.114	0.402	70	10	DCIE	
COc1nn(C[C@H]2C[C@@H]2OC)c(OC)c1S(=O)(=O)Cl	2131677469	MRVCAJXJTAXETC-RQJHMYQMSA-N	310.759	0.863	70	10	DCIE	
CC(C)c1cc(S(=O)(=O)CCS(=O)(=O)Cl)ncn1	203541975	HTLXQQYTJJONKL-UHFFFAOYSA-N	312.800	0.942	70	10	DCIE	
CCCn1c(-c2nnn(C)c2CC)nnc1S(=O)(=O)Cl	1923533813	XQILOIMQKHLVPQ-UHFFFAOYSA-N	318.790	0.974	70	10	DCIE	
COCCN[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1567054164	LNWGUNDSDWRVPU-QMMMGPOBSA-N	307.347	0.027	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@]1(C)CCOC1	162383306	RVCBGTCAQMUPHH-LLVKDONJSA-N	306.771	0.861	70	10	DCIE	
C#CCNC(=O)[C@@H](C)n1cc(S(=O)(=O)Cl)nc1C1CC1	704289077	GXCRBEVQRXWMSQ-MRVPVSSYSA-N	315.782	0.998	70	10	DCIE	
COCCOC1CN(c2ncc([B-](F)(F)F)c(OC)n2)C1	2172769895	DEOXZRRMPKYUFT-UHFFFAOYSA-N	306.073	0.391	70	10	DCIE	
CN(C[C@@H]1C[C@H]2OCC[C@@H]2O1)c1ncc([B-](F)(F)F)cn1	2172773808	GVGUDTAYOSCIBW-GARJFASQSA-N	302.085	0.914	70	10	DCIE	
CS(=O)(=O)NC1CCN(c2ncccc2[B-](F)(F)F)CC1	2172784781	RDMCKSUCTSABON-UHFFFAOYSA-N	322.141	0.654	70	10	DCIE	
CCn1cnnc1Cn1cc(S(=O)(=O)Cl)nc1COC	2182345045	XKWDVGIPDSMKCB-UHFFFAOYSA-N	319.774	0.617	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1C[C@@]12CCCOC2	2198144398	TVIGOBUDJLOUSK-ZYHUDNBSSA-N	306.359	0.065	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCCC1(F)F	2271492768	PDDUQSYDHXWVSV-SFYZADRCSA-N	300.302	0.827	70	10	DCIE	
Cc1cc(C)c(OCC(=O)NC(N)=O)c(S(=O)(=O)Cl)c1	216095280	AHNRABLFNJSKCE-UHFFFAOYSA-N	320.754	0.805	70	10	DCIE	
CC[C@H](C)N1C(=O)C[C@H](N[C@@]2(C)CCS(=O)(=O)C2)C1=O	218517817	IUORRRCYDNSICP-KWBADKCTSA-N	302.396	0.079	70	10	DCIE	
CC(=O)NC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1744181402	HZGDSSXOKFXUDM-LLVKDONJSA-N	317.342	0.317	70	10	DCIE	
CC(C)OC(C)(C)C(=O)NC1CCN(S(=O)(=O)F)CC1	1974401717	FPRYLTQAEBZKKM-UHFFFAOYSA-N	310.391	0.985	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)Cc2ccccc2N)CCOC1	159914512	ZPCVZPAWTKLHET-ZDUSSCGKSA-N	300.380	0.494	70	10	DCIE	
CNC(=O)[C@H]1COCCN1c1nc(Cl)c(C(=O)OC)s1	160264902	KNHWJTIQJONKMP-ZCFIWIBFSA-N	319.770	0.534	70	10	DCIE	
CN(C)C1(CNS(=O)(=O)C[C@H]2CCCNC2)CCCC1	160951550	CVNMLKBCNIRYQK-ZDUSSCGKSA-N	303.472	0.780	70	10	DCIE	
CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)CN1CCS(=O)(=O)CC1	161040810	STOBUTXTDFJMEI-OUCADQQQSA-N	302.440	0.249	70	10	DCIE	
CC(C)n1c([C@@H]2CN3CCN2CC3)nnc1S(=O)(=O)Cl	2155748858	NJYSBYBMIVKALO-VIFPVBQESA-N	319.818	0.459	70	10	DCIE	
Cc1[nH]nc(C(=O)NCC2[C@H]3COC[C@H]23)c1S(=O)(=O)Cl	385936169	LACXQRDXDAOMIA-HTQZYQBOSA-N	319.770	0.268	70	10	DCIE	
CC1(C)C[C@@H](S(C)(=O)=O)CN1c1ncc([B-](F)(F)F)cn1	2179893224	LDGDNITUPBHFCD-SECBINFHSA-N	322.141	0.933	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC[C@@H]1CCNC1=O	2182345256	YWOPKYGXIDUQBA-QMMMGPOBSA-N	321.786	0.483	70	10	DCIE	
O=S(=O)(CC(F)F)Nc1ccc(S(=O)(=O)F)nc1	2047724262	RJEKXORQOZGYAG-UHFFFAOYSA-N	304.271	0.747	70	10	DCIE	
C[C@@H](Oc1ccc(S(=O)(=O)F)cc1F)C(=O)NC(N)=O	2191434232	IEOHVUWCTLDDKS-RXMQYKEDSA-N	308.262	0.446	70	10	DCIE	
C[C@H]1CCCCN1S(=O)(=O)N1CC(S(=O)(=O)F)C1	2078998248	SFPFJBVHCWXIEL-QMMMGPOBSA-N	300.377	0.089	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@]12CCC[C@@H]1CSC2	2268806347	UCFGWJSRRPSFDL-LDYMZIIASA-N	308.400	0.534	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2COCC2(C)C)c1S(=O)(=O)Cl	313031492	YSOOOASNXOSVMN-ZETCQYMHSA-N	321.786	0.800	70	10	DCIE	
Cn1nc(O)cc1C(=O)Nc1ccc(S(=O)(=O)F)nc1	2166531591	KLWCWWMZEIIXEI-UHFFFAOYSA-N	300.271	0.431	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)CCCC(F)(F)F	213835823	KOPGXEYMVVNLQG-UHFFFAOYSA-N	317.738	0.817	70	10	DCIE	
C[C@@H](Br)CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1	1901501362	HVIPZAWQXFKEMU-RQJHMYQMSA-N	317.180	0.565	70	10	DCIE	
COCCN(CCNCc1cn(C)nn1)C(=O)OC(C)(C)C	218142666	NVAIXDRYAHCRTA-UHFFFAOYSA-N	313.402	0.788	70	10	DCIE	
Cn1ccc(CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)n1	1584005716	ZVXYXNGYELZOEY-UHFFFAOYSA-N	311.338	0.937	70	10	DCIE	
CCNCc1ccc(S(=O)(=O)NC[C@@]2(OC)CCOC2)o1	161491428	ULRYAOWEAUEQPS-ZDUSSCGKSA-N	318.395	0.473	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1	160962624	JIXDCXARJYQOCC-SECBINFHSA-N	320.349	0.363	70	10	DCIE	
O=C(CC[C@H]1CCCO1)NC1CCN(S(=O)(=O)F)CC1	1974402114	JVOSJZMAWGEQKP-LLVKDONJSA-N	308.375	0.741	70	10	DCIE	
CC(C)N(C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2028126384	FFKWFRBUPODMDQ-SECBINFHSA-N	302.393	0.335	70	10	DCIE	
O=C(CN1CCCCC1)NC1CCN(S(=O)(=O)F)CC1	2169027718	PYTANWRPJXHYHS-UHFFFAOYSA-N	307.391	0.267	70	10	DCIE	
CCN1C[C@H](C(=O)N2CC(CCS(=O)(=O)F)C2)CC1=O	2199694708	BSYIPUPFDVOVEM-SNVBAGLBSA-N	306.359	0.003	70	10	DCIE	
O=C(N1CC(CCS(=O)(=O)F)C1)C12COC(CF)(C1)C2	2202585915	CPTYIKMWYGIWGT-UHFFFAOYSA-N	309.334	0.653	70	10	DCIE	
C[C@@]1(C(F)(F)F)C[C@H]1C(=O)NC1CN(S(=O)(=O)F)C1	2268805781	NPWTWSYFMFMJHB-POYBYMJQSA-N	304.265	0.590	70	10	DCIE	
CC[C@H](COCCN1CCN(C)CC1)CS(=O)(=O)Cl	2266735517	GGOHRSNXSAVSNF-GFCCVEGCSA-N	312.863	0.845	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)C[C@H]2CCCCO2)C1	2338748885	DKPBDQSLXFEPLH-NXEZZACHSA-N	315.388	0.259	70	10	DCIE	
O=C([C@H]1[C@H]2CCC(F)(F)[C@@H]12)N1CCN(S(=O)(=O)F)CC1	2355164950	ADCFPVKDEVPASB-HRDYMLBCSA-N	312.313	0.636	70	10	DCIE	
CC1(CS(C)(=O)=O)CN(c2ncc([B-](F)(F)F)cn2)C1	2116550815	ZAQGILJWBWCFDY-UHFFFAOYSA-N	308.114	0.402	70	10	DCIE	
CCNCc1n[nH]c(C)c1S(=O)(=O)NCCCN(C)C	217510472	QKQADUOFLKDAIU-UHFFFAOYSA-N	303.432	0.058	70	10	DCIE	
O=C1N[C@H](C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CO1	1618524980	HIQHDZCHUKBKHF-ZETCQYMHSA-N	306.246	0.531	70	10	DCIE	
CCN(CCO)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1731318124	WIYPXJRNNVOFQP-UHFFFAOYSA-N	321.374	0.107	70	10	DCIE	
C[C@H](NCCNC(N)=O)c1ccc(S(=O)(=O)N(C)C)cc1	160831155	LDVBLPOBOFYMEN-JTQLQIEISA-N	314.411	0.256	70	10	DCIE	
CCOc1cc(N)cc(C(=O)N[C@H]2CCCS(=O)(=O)C2)c1	159747208	MAUVAZQTUPAVER-LBPRGKRZSA-N	312.391	0.975	70	10	DCIE	
Cn1nncc1S(=O)(=O)Nc1ccccc1S(=O)(=O)F	2144430231	UYDIGKUEYJHEDV-UHFFFAOYSA-N	320.327	0.274	70	10	DCIE	
CCNC(=O)[C@H](C)Nc1ccc(S(=O)(=O)NC)c(N)c1	159593467	PAYRBQRXMARCTP-QMMMGPOBSA-N	300.384	0.113	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1cnc(Cl)cn1	2169022323	BXPOIZHMHJUUEY-UHFFFAOYSA-N	322.749	0.539	70	10	DCIE	
CCCN(c1ncncc1[B-](F)(F)F)[C@H]1CCS(=O)(=O)C1	2201894847	UPHIFYRDLIEPKT-VIFPVBQESA-N	322.141	0.935	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)CCn2cnnc2)n1	2280638909	XRZVKYNWGMJHCD-UHFFFAOYSA-N	300.073	0.873	70	10	DCIE	
O=C(Nc1ccc(S(=O)(=O)Cl)cc1)[C@H]1COCCO1	108176003	ZLRWWXYZNSYOFZ-SNVBAGLBSA-N	305.739	0.968	70	10	DCIE	
C[C@@H](NC(=O)NCCN1CCNCC1)Oc1ccc(O)cc1	217277674	PDFNGNYTUHUKSV-LBPRGKRZSA-N	308.382	0.321	70	10	DCIE	
CCC(=O)N1CC[C@H](C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1	161111607	YEAJWPLFVYJEQE-WDEREUQCSA-N	321.343	0.998	70	10	DCIE	
Nc1ccccc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1	161323891	YNNLIEMDPVLTSC-CYBMUJFWSA-N	317.389	0.980	70	10	DCIE	
CC[C@@](C)(O)CN1CCN(S(=O)(=O)CCOC(C)C)CC1	161377082	DRIJRVXEPJPQHI-CQSZACIVSA-N	322.471	0.520	70	10	DCIE	
COc1c(F)cc(C(=O)NC[C@@H]2C[C@H]2C)cc1S(N)(=O)=O	160323366	YKCAZCHQVHGQOD-APPZFPTMSA-N	316.354	0.868	70	10	DCIE	
CCN[C@@H](C)c1ccc(S(=O)(=O)NCCNC(N)=O)cc1	160938583	SMNXFFFUGIPLRN-JTQLQIEISA-N	314.411	0.304	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)[C@@](C)(N)C(F)(F)F	159602874	RXVLNMHSRNCSRV-LDYMZIIASA-N	311.304	0.020	70	10	DCIE	
COC(=O)Cn1ncc(N[C@](C)(CN)C(C)C)c(Cl)c1=O	159913811	BWYDAMUYILFQGT-CYBMUJFWSA-N	316.789	0.855	70	10	DCIE	
CNC(=O)[C@H]1COCCN1c1cc(C)nc(C)c1C(N)=S	159797464	RQAJABPRRMTULH-LLVKDONJSA-N	308.407	0.284	70	10	DCIE	
Cn1nc(C(=O)N2CCC(S(=O)(=O)F)CC2)cc1Cl	1968218085	RCNOMPOFGUXLET-UHFFFAOYSA-N	309.750	0.977	70	10	DCIE	
CC[C@@H]1C[C@@H](NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)CO1	688460372	ZERKDBUUPKEKLP-HTQZYQBOSA-N	321.786	0.943	70	10	DCIE	
O=C(N1CC(CCS(=O)(=O)F)C1)[C@@]12COC[C@@H]1C2(F)F	2199688884	NDTMHKLSROAVDI-WCBMZHEXSA-N	313.297	0.416	70	10	DCIE	
Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2088468558	CZXYQHASYBAMSA-QMMMGPOBSA-N	311.360	0.089	70	10	DCIE	
C[C@@H](CN1CCOCC1)Cn1cc(S(=O)(=O)Cl)cn1	720683091	HKXCHHOAKUOUPJ-JTQLQIEISA-N	307.803	0.779	70	10	DCIE	
CC(C)(C)OC(=O)NCCO[C@@H]1CCN(S(=O)(=O)F)C1	1953960058	SUJGNIUGGSKISF-SECBINFHSA-N	312.363	0.816	70	10	DCIE	
O=C(c1cnn(C2CC2)c1)N1CCN(S(=O)(=O)F)CC1	1974014313	HLSHPHVMIORSEG-UHFFFAOYSA-N	302.331	0.190	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)C1(C(F)F)CC1	1974394079	CKYYJWZQLHJHDA-UHFFFAOYSA-N	300.302	0.827	70	10	DCIE	
Cc1ncn(C)c1Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	2188584046	MFFPHDCIQDXTNW-UHFFFAOYSA-N	319.730	0.809	70	10	DCIE	
C[C@H]1[C@@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1(F)F	2095472427	MVDZMJYOLURZMC-CRCLSJGQSA-N	314.697	0.778	70	10	DCIE	
COC[C@@]12CN(c3ncncc3[B-](F)(F)F)C[C@@H]1CCO2	2239905145	VFNFJMHIVXZXHC-CABZTGNLSA-N	302.085	0.773	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1C[C@@H]2CC[C@H]1O2	2355006589	LVRGZQFPEDNLTM-BIIVOSGPSA-N	320.754	0.444	70	10	DCIE	
COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)F	1954656255	NIYXCROXFMGPHQ-VIFPVBQESA-N	312.363	0.768	70	10	DCIE	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1ncncc1[B-](F)(F)F	2116146538	UQYNHTDSENJHDY-JGVFFNPUSA-N	310.130	0.789	70	10	DCIE	
CC(C)c1nc(N(C)C)nc(N2CCS(=O)(=O)[C@H](C)C2)n1	159902307	TWGSVQITNSUYKM-SNVBAGLBSA-N	313.427	0.684	70	10	DCIE	
CCCn1cccc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974058708	HGIRHZRXMVCDNN-UHFFFAOYSA-N	303.359	0.774	70	10	DCIE	
Cc1cc(C(=O)NC2CCN(S(=O)(=O)F)CC2)nn1C	1974394609	LWCSRWWOTOFTQY-UHFFFAOYSA-N	304.347	0.137	70	10	DCIE	
COc1nn(Cc2nncn2C)c(OC)c1S(=O)(=O)Cl	2149828056	WKMMYCIBPHGIQP-UHFFFAOYSA-N	321.746	0.005	70	10	DCIE	
CN1CCN(CCCn2cc(S(=O)(=O)Cl)cn2)CC1	708547086	ZHHUNINIDXENHK-UHFFFAOYSA-N	306.819	0.448	70	10	DCIE	
CS(=O)(=O)N[C@H]1CCCN(c2ccc([B-](F)(F)F)cn2)C1	2172772481	OHQZHJDNUGVVCP-JTQLQIEISA-N	322.141	0.654	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@H]1CCNC1=O	2185182027	IEGSXLPDXURIKT-ZCFIWIBFSA-N	322.730	0.163	70	10	DCIE	
COc1nc(N2CCO[C@H]3COC[C@H]32)ncc1[B-](F)(F)F	2192638240	WUHZZTHGJUPRFT-BDAKNGLRSA-N	304.057	0.144	70	10	DCIE	
CCCn1c(CCn2ccnn2)nnc1S(=O)(=O)Cl	2090394343	QGPHYSXLNXGKNS-UHFFFAOYSA-N	304.763	0.450	70	10	DCIE	
O=C(Nc1ccccc1S(=O)(=O)F)[C@@H]1CCS1(=O)=O	2094341794	OFZJTSQTVQPRKR-VIFPVBQESA-N	307.324	0.470	70	10	DCIE	
CCCCc1nc(S(=O)(=O)Cl)cn1CCOCC(N)=O	2241089355	YTBXITZPHQKULB-UHFFFAOYSA-N	323.802	0.655	70	10	DCIE	
Cc1nc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)no1	460091684	IEKQWYHWDVYNQL-UHFFFAOYSA-N	321.311	0.837	70	10	DCIE	
Cc1nc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)ccc1[B-](F)(F)F	2336521411	XQKVNWRQTNPZCJ-WPRPVWTQSA-N	305.110	0.678	70	10	DCIE	
CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](CC(=O)NCCO)C1	160788287	NOSJTXZWGNSWHM-MNOVXSKESA-N	302.371	0.103	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCCS(=O)(=O)CC2)n1	2116128289	DWCOOQZAOLNUQR-UHFFFAOYSA-N	308.114	0.464	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)[C@H]2CCCC[C@@H]2F)C1	2118937206	QIPGZPRHDZPBCD-UTLUCORTSA-N	317.379	0.971	70	10	DCIE	
CCN(CC)CCCNS(=O)(=O)c1ccc(CO)cn1	218644871	HFUFLXPJBRFLLZ-UHFFFAOYSA-N	301.412	0.584	70	10	DCIE	
CCc1ccc(S(=O)(=O)NCCNC(=O)C2CC2)cc1N	160645693	VZPGLZMPDFBFLU-UHFFFAOYSA-N	311.407	0.636	70	10	DCIE	
CCCc1cc(S(=O)(=O)CCS(=O)(=O)Cl)ncn1	203538418	VVYSYDIJXVINHL-UHFFFAOYSA-N	312.800	0.771	70	10	DCIE	
C[C@](O)(Cc1cccc(F)c1)[C@@]1(CN)CCS(=O)(=O)C1	159432048	CRQMIXJCVMJHJY-UONOGXRCSA-N	301.383	0.883	70	10	DCIE	
C[C@H](c1cccc(F)c1)N1CCN(CC(=O)NC(N)=O)CC1	159483271	NEJPBBBCZLNEGW-LLVKDONJSA-N	308.357	0.699	70	10	DCIE	
O=C(c1ccc([N+](=O)[O-])o1)N1CCN(S(=O)(=O)F)CC1	1974001252	PXLHAGVWBXGDNY-UHFFFAOYSA-N	307.259	0.160	70	10	DCIE	
CNS(=O)(=O)c1ccc(CNCC2(CO)CCCC2)o1	160067431	BHJXCMPKKFPQAK-UHFFFAOYSA-N	302.396	0.830	70	10	DCIE	
COCCNCc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H]2C)o1	160353965	ZHZPJFNEIITEOL-QWRGUYRKSA-N	302.396	0.950	70	10	DCIE	
O=C(N1CCC[C@H](S(=O)(=O)F)C1)[C@@]12COC[C@H]1C2(F)F	2161913277	MUFIYSRSABFCMW-QXFUBDJGSA-N	313.297	0.558	70	10	DCIE	
C=CCCS(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2049917779	JHMPXLOHLKEQHP-UHFFFAOYSA-N	300.377	0.161	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1[C@H](C)C(=O)NC(N)=O	215833583	TWSVVWHPEHRBEF-RXMQYKEDSA-N	308.747	0.129	70	10	DCIE	
CCn1c(-c2c[nH]c(C)cc2=O)nnc1S(=O)(=O)Cl	234228435	ZCVMNHPLBFZPBJ-UHFFFAOYSA-N	302.743	0.889	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)[C@@H]1CCS(=O)(=O)C1	689057530	XMPCIHBPSFVHDW-SECBINFHSA-N	303.833	0.454	70	10	DCIE	
O=S1(=O)CC[C@@H]2CN(c3ccc([B-](F)(F)F)cn3)C[C@H]21	2116148836	VVDQQQOCMHZKOL-PSASIEDQSA-N	305.110	0.759	70	10	DCIE	
CS(=O)(=O)N1CCN(c2ccc([B-](F)(F)F)cn2)CC1	2116149960	KBGXYGCIFYOLMJ-UHFFFAOYSA-N	308.114	0.218	70	10	DCIE	
COC(=O)N(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1280458502	DRVGOWRUQATZMP-UHFFFAOYSA-N	307.303	0.101	70	10	DCIE	
COC(=O)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1520864799	CHJVDLDCILOPKE-SSDOTTSWSA-N	304.299	0.308	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)c2cc[nH]c2)n1	1923190503	HMVGMOFUZLLOCP-UHFFFAOYSA-N	308.316	0.207	70	10	DCIE	
CN(C)CCn1ncc(Cl)c1[C@@H](N)[C@@H]1CN(C)CCN1C	161193470	DTOPBOOHOJPGIL-STQMWFEESA-N	314.865	0.344	70	10	DCIE	
Cc1nc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c(=O)[nH]c1C	160324513	CRRJFRIDGZVIMX-LLVKDONJSA-N	301.350	0.750	70	10	DCIE	
CCN(c1cnn(CCO)c(=O)c1Cl)C1CCC(N)CC1	159762107	MSLUJQIPMUUUBT-UHFFFAOYSA-N	314.817	0.985	70	10	DCIE	
CN(C)c1cc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)ccn1	1968235733	OKUAQEFCYNRZEP-JTQLQIEISA-N	301.343	0.661	70	10	DCIE	
Cn1nc(C(=O)N2CC(S(=O)(=O)F)C2)cc1C(F)(F)F	1968216186	UDUDUMHOACCUCG-UHFFFAOYSA-N	315.248	0.563	70	10	DCIE	
C[C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)F)CC2)CCS1	1974014852	NIMMEBODCJXOLA-VHSXEESVSA-N	310.416	0.877	70	10	DCIE	
CCOC(=O)[C@H](C)NS(=O)(=O)c1cc(N)cc(C)c1F	159500848	BJFVXWUNLHPWHT-QMMMGPOBSA-N	304.343	0.946	70	10	DCIE	
CCN1CCO[C@@H]([C@H](N)c2c(Cl)cnn2CCOC)C1	161214001	CWQYJVWDHSPVFL-NEPJUHHUSA-N	302.806	0.903	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)[C@H]2CCO[C@H]2C)c1S(=O)(=O)Cl	161838312	PJLMUISOWILBQC-YUMQZZPRSA-N	321.786	0.895	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1Cc1ncnn1C	312291567	RIPPKMCDVFVBMO-UHFFFAOYSA-N	320.718	0.204	70	10	DCIE	
COCCn1c(C[C@@H]2OCC[C@@H]2C)nnc1S(=O)(=O)Cl	2157321134	UNTFFRVHHLGULH-IUCAKERBSA-N	323.802	0.820	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1[C@H]2OCCC[C@@H]21	2176466957	UJIYLMSFSSDFTL-MXWKQRLJSA-N	306.359	0.206	70	10	DCIE	
Cc1nc(N(C)CC2COCCOC2)ncc1[B-](F)(F)F	2188038750	GLHCKCUFELKPCU-UHFFFAOYSA-N	304.101	0.939	70	10	DCIE	
Cc1[nH]nc(C(=O)N2CC3(F)CC2C3)c1S(=O)(=O)Cl	2111338051	KBTRUYBMLKBPMI-UHFFFAOYSA-N	307.734	0.972	70	10	DCIE	
O=C(Cc1cnsc1)NC1CCN(S(=O)(=O)F)CC1	2208839001	DRDZPZWMVZMHPI-UHFFFAOYSA-N	307.372	0.481	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1OC[C@H]2CCCC[C@@H]21	2284153020	GEUNVKIKVUAULX-DVVUODLYSA-N	306.359	0.206	70	10	DCIE	
COc1cncc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1	2287077494	DLOWEPDDZHDMDN-SECBINFHSA-N	303.315	0.109	70	10	DCIE	
C[C@H]1C[C@@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C[C@@H](C)O1	2164439176	UIACCSRMEMRXIT-JZYVYDRUSA-N	308.375	0.452	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCc1cn[nH]c1	2125954286	SHIVAZVQCDVJPD-UHFFFAOYSA-N	304.759	0.923	70	10	DCIE	
CN(CCCNCCCO)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1268852479	OQQHZLMEAJJQPA-UHFFFAOYSA-N	321.374	0.107	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cc(Cl)ncn2)[nH]1	1923164025	OTAOFKMVNMOVMN-UHFFFAOYSA-N	319.705	0.196	70	10	DCIE	
C#CCCN(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1663276914	QZZQLFKBSHDZRK-UHFFFAOYSA-N	301.343	0.358	70	10	DCIE	
O=C(CS(=O)(=O)CCCc1ccccc1)NC1(CO)CC1	160257304	SVRQMFSZFQCKQK-UHFFFAOYSA-N	311.403	0.675	70	10	DCIE	
O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)N1CCNCC1	159452733	BBAMCBMGVBHLCZ-JOCHJYFZSA-N	324.402	0.387	70	10	DCIE	
CS[C@@H]1CN(CCCS(=O)(=O)Cl)C[C@@H]1N(C)C	2004060097	UVTROICSRANAEJ-VHSXEESVSA-N	300.877	0.923	70	10	DCIE	
O=C(CCn1ccccc1=O)N1CC[C@@H](S(=O)(=O)F)C1	1968236083	SDWXZCLKKOAKIP-SNVBAGLBSA-N	302.327	0.139	70	10	DCIE	
CO[C@@H](C(=O)N1CCC(S(=O)(=O)F)CC1)[C@H]1CCOC1	2150277169	AEKFSWVTHCFSIT-GXSJLCMTSA-N	309.359	0.328	70	10	DCIE	
CN(C)S(=O)(=O)CCCN1CC[C@]2(O)CCCC[C@@H]2C1	161145490	FORTYSRSHCXAKR-ZIAGYGMSSA-N	304.456	0.895	70	10	DCIE	
O=S(=O)(Cl)CCSc1cc(-n2cncn2)ncn1	2040378547	FNPVTHOASPXMRD-UHFFFAOYSA-N	305.772	0.718	70	10	DCIE	
Cn1c([C@H]2COCCC2(F)F)nnc1S(=O)(=O)Cl	2047869231	NUEFWRTUXZIUID-RXMQYKEDSA-N	301.702	0.882	70	10	DCIE	
COCCn1c(C[C@H]2CC[C@@H]2OC)nnc1S(=O)(=O)Cl	2186906899	HXOHWBTZKOIMSS-BDAKNGLRSA-N	323.802	0.820	70	10	DCIE	
CCc1nc(C)c(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)o1	2287071397	IMPAIJDSAWGJOA-MRVPVSSYSA-N	305.331	0.564	70	10	DCIE	
COCC1(C(=O)NC2CN(S(=O)(=O)F)C2)CC(F)(F)C1	2295563382	XDHLUTJJINNNTH-UHFFFAOYSA-N	316.301	0.063	70	10	DCIE	
CC12CC(C1)[C@H](C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)CO2	2362910561	PRXKGDQUHFAIST-WDHPUFTPSA-N	306.359	0.206	70	10	DCIE	
C[C@H]1CCC[C@H]1S(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2118899125	WVCAFVJOXOZYQY-VHSXEESVSA-N	314.404	0.337	70	10	DCIE	
O=C(O[C@@H]1CCCNC1=O)c1cccc(S(=O)(=O)F)c1	1333520382	UFFIFHNRDUWVPD-SNVBAGLBSA-N	301.295	0.780	70	10	DCIE	
Cc1ccc(NC(=O)[C@@H](N)CCS(C)(=O)=O)cc1N(C)C	161235698	HSAXBHUFKBLNPK-LBPRGKRZSA-N	313.423	0.762	70	10	DCIE	
O=C([C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12)N1CCN(S(=O)(=O)F)CC1	1974014321	HOIJHRHKPHIKHG-LDMBFOFVSA-N	302.371	0.637	70	10	DCIE	
O=C(CN1CCOCC1)Nc1ccccc1S(=O)(=O)F	2148796263	XEKIVFLIBZMQTJ-UHFFFAOYSA-N	302.327	0.616	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)CC1(S(C)(=O)=O)CC1	2002506757	GCLLBOJPCXYNTD-UHFFFAOYSA-N	303.833	0.454	70	10	DCIE	
COc1nc(N(C)Cc2ncn(C)n2)ncc1[B-](F)(F)F	2178355630	BXOBRCQGWKBWIL-UHFFFAOYSA-N	301.061	0.305	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@]23CCOC[C@@H]2C3)c1S(=O)(=O)Cl	2194418606	BHMOHRMLFRTKME-CPCISQLKSA-N	319.770	0.554	70	10	DCIE	
O=S(=O)(Cl)CC12CC(C1)OC21CCS(=O)(=O)CC1	2043853017	WLSYHOZKOIOXJJ-UHFFFAOYSA-N	314.812	0.681	70	10	DCIE	
CC1(C)C[C@H](C(=O)NC2CN(S(=O)(=O)F)C2)C(C)(C)O1	2284150449	JWORNRLLSVCYPQ-SECBINFHSA-N	308.375	0.595	70	10	DCIE	
Cc1nc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)ccc1[B-](F)(F)F	2336521409	XQKVNWRQTNPZCJ-SCZZXKLOSA-N	305.110	0.678	70	10	DCIE	
N#Cc1cnn([C@@H]2CCS(=O)(=O)C2)c1S(=O)(=O)Cl	112157215	GVFKIPSHVOGKQD-SSDOTTSWSA-N	309.756	0.042	70	10	DCIE	
CCO[C@H]1C[C@@H]1c1nnc(S(=O)(=O)Cl)n1CCOC	689948289	DGYHJTRGRZQQTL-YUMQZZPRSA-N	309.775	0.744	70	10	DCIE	
C#CCCNC[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1319246862	ULCWEMAVDKKKRD-SNVBAGLBSA-N	315.370	0.652	70	10	DCIE	
COc1nc(N(C)[C@H](C)C[S@](C)=O)ncc1[B-](F)(F)F	2116129569	WVLAXDBZCPDQOF-GLEHDBDLSA-N	310.130	0.743	70	10	DCIE	
COc1cc(NS(=O)(=O)N(C)CCCO)cc(OC)c1	217546755	LILIKZBIRSKJAU-UHFFFAOYSA-N	304.368	0.675	70	10	DCIE	
O=C(NNc1ccc(F)cn1)c1cc(S(=O)(=O)F)c[nH]1	1633900876	BKUUDZRZFMWELE-UHFFFAOYSA-N	302.262	0.964	70	10	DCIE	
CN(C)c1nc(CN2CCC(N(C)CCCO)CC2)ns1	161029872	KLCWPJPUFXNZGS-UHFFFAOYSA-N	313.471	0.883	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1[C@@H](C)C(=O)OC(C)(C)C	160062062	RHYCHZWFERMTOU-NWDGAFQWSA-N	300.399	0.942	70	10	DCIE	
CN(C)c1ncc(NC(=O)CS(=O)(=O)C(C)(C)C)cn1	160075410	IEEDAZCOULSWLJ-UHFFFAOYSA-N	300.384	0.694	70	10	DCIE	
C[C@@H]1CN(c2ccc(C(=O)NC3(CO)CC3)cn2)C[C@@H](C)O1	160286948	HWERTWDTABWOAD-VXGBXAGGSA-N	305.378	0.950	70	10	DCIE	
CCOC(CNC(=O)[C@]1(N)[C@H]2CCO[C@@H]2C1(C)C)OCC	160664224	LSXWZZIVVICLGL-ITDIGPHOSA-N	300.399	0.644	70	10	DCIE	
CCOC(=O)c1nnn(C[C@H]2CN(C)CCO2)c1C(F)F	159600047	NTUZANSETNDXPW-MRVPVSSYSA-N	304.297	0.723	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)N(C)CCc2nccs2)[C@H](C)CO1	159667781	KJFAGPHVKPHATB-GHMZBOCLSA-N	319.452	0.971	70	10	DCIE	
CCOC(=O)c1cnn(-c2cccnn2)c1S(=O)(=O)Cl	233721557	UEJMUGXRNXVXOI-UHFFFAOYSA-N	316.726	0.767	70	10	DCIE	
Cc1cc(C(=O)NCC2CN(S(=O)(=O)F)C2)cc(Cl)n1	1974058074	CNLYFDULKAYYBS-UHFFFAOYSA-N	321.761	0.919	70	10	DCIE	
COCCn1ncc(N2C[C@H](C)NC[C@H]2C)c(Cl)c1=O	159570308	DHYRDDYVJOHTBZ-VHSXEESVSA-N	300.790	0.730	70	10	DCIE	
CNC[C@@H]1CN(c2cnn(C(C)C)c(=O)c2Cl)CCO1	159849348	YYDWOHSUKBRBMG-SNVBAGLBSA-N	300.790	0.902	70	10	DCIE	
CNC[C@H]1CCCN1c1cnn(CCOC)c(=O)c1Cl	159957704	IYYYDFZNJSYHQD-SNVBAGLBSA-N	300.790	0.731	70	10	DCIE	
Cc1ncnc(N2CCO[C@@]3(CCOC3)C2)c1[B-](F)(F)F	2172764706	HEHAYTGNQOCRPF-LBPRGKRZSA-N	302.085	0.835	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)C[C@H]2CC[C@H](F)C2)C1	2093987367	YBXBYPCADYKRSN-LPEHRKFASA-N	317.379	0.828	70	10	DCIE	
O=C([C@H]1CN2CCC1CC2)N1CC(CCS(=O)(=O)F)C1	2199683553	BBAZRYSQXZICDX-LBPRGKRZSA-N	304.387	0.476	70	10	DCIE	
COc1ccc(CC(=O)NC[C@H](O)Cn2ccccc2=O)cc1	218416849	FSGHOEIBSCTMNH-AWEZNQCLSA-N	316.357	0.577	70	10	DCIE	
COC(=O)CNC(=O)N[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1	217285096	JFZYTWHSHPHQAP-YPMHNXCESA-N	319.361	0.821	70	10	DCIE	
COCCNC(=O)C(=O)NC[C@@H](OC)c1ccccc1Cl	218343430	NUYUXTMBXJWWGV-GFCCVEGCSA-N	314.769	0.906	70	10	DCIE	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1ncc([B-](F)(F)F)cn1	2116149013	XRNZLYPYYZNMOL-YUMQZZPRSA-N	310.130	0.789	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@H](C)OC)c1S(=O)(=O)Cl	224643554	RYTFWHQQIDVJHR-LURJTMIESA-N	309.775	0.664	70	10	DCIE	
Cn1cc(CC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)cn1	159410767	LRNPCAWIKHGERH-KBPBESRZSA-N	319.361	0.907	70	10	DCIE	
CCn1cc(C(=O)N2CCC(S(=O)(=O)F)CC2)nc1O	2144732342	DUJZSHDHEUWBMY-UHFFFAOYSA-N	305.331	0.513	70	10	DCIE	
O=C(c1ncccc1Cl)N1CCN(S(=O)(=O)F)CC1	1974000965	KFJZNWAAPLUDBS-UHFFFAOYSA-N	307.734	0.707	70	10	DCIE	
CCCn1cc(S(=O)(=O)N2CC[C@H](O)[C@H](C)C2)nc1C	159378193	LLHQVOFLLYJKOP-PWSUYJOCSA-N	301.412	0.993	70	10	DCIE	
CN(CC[C@@H](N)c1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1	161241898	UQLSQKIEYYAVBT-VXGBXAGGSA-N	301.387	0.730	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1CCc1cn[nH]c1	313662259	LKBNSQVJQMEJMO-UHFFFAOYSA-N	319.730	0.993	70	10	DCIE	
CN(CC1(S(C)(=O)=O)CCC1)c1ncncc1[B-](F)(F)F	2172785077	IETOUMZEPCFQGT-UHFFFAOYSA-N	322.141	0.935	70	10	DCIE	
Cc1ccnc(N2CC[C@@H](NS(C)(=O)=O)C2)c1[B-](F)(F)F	2172778676	SEPWMXDJSIAHFJ-SECBINFHSA-N	322.141	0.572	70	10	DCIE	
Cc1c(OCC(=O)NC(N)=O)ccc(S(=O)(=O)F)c1C	2191431598	JWQFIYAQUCLGKY-UHFFFAOYSA-N	304.299	0.535	70	10	DCIE	
CO[C@@H](C)CCS(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2109244677	DOLCEXIFLXAXNN-VIFPVBQESA-N	317.404	0.505	70	10	DCIE	
CS(=O)(=O)[C@H]1C[C@H](Cn2cnc(S(=O)(=O)Cl)c2)C1	2257639403	YXVLXBXRENUIOR-ZKCHVHJHSA-N	312.800	0.634	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(O[C@@H]2CCN(S(C)(=O)=O)C2)n1	2285598815	FGZPHMLNDQSTRM-MRVPVSSYSA-N	324.113	0.252	70	10	DCIE	
CCn1nc(CC(C)C)cc1C(=O)N1CC[C@@H](CO)[C@H](O)C1	216938309	GIDAOUKZFRFXPB-SWLSCSKDSA-N	309.410	0.917	70	10	DCIE	
O=C1NCCCc2nc(NS(=O)(=O)c3cnc[nH]3)sc21	218526949	XDAQPCPNVRKMRR-UHFFFAOYSA-N	313.364	0.343	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@]12CCC[C@@H]1OCC2	2164434919	FVPQCWJYDNMSNV-CMPLNLGQSA-N	306.359	0.208	70	10	DCIE	
CO[C@@H]1CC[C@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	724420286	RMFLKDZECPLQBJ-RNFRBKRXSA-N	307.759	0.553	70	10	DCIE	
CC1(C)CO[C@@H](COCCOCCS(=O)(=O)Cl)CO1	2123277675	RRHYEMDABCSLHW-JTQLQIEISA-N	316.803	0.782	70	10	DCIE	
C[C@@H]1CCC[C@H](NS(=O)(=O)c2cnn(CCO)c2)[C@@H]1C	218253734	HUKIOPPOTCCMAS-WZRBSPASSA-N	301.412	0.978	70	10	DCIE	
Cn1nnc(Cn2cc(S(=O)(=O)Cl)nc2C2CCC2)n1	1922211338	YGQJIOBMIBIRGY-UHFFFAOYSA-N	316.774	0.650	70	10	DCIE	
Cc1ccccc1[C@H](O)CNC(=O)N[C@H]1CCc2ncnn2C1	161300635	MIDVBILRVGYENL-GXTWGEPZSA-N	315.377	0.934	70	10	DCIE	
COCc1csc(C(=O)NCC2CN(S(=O)(=O)F)C2)c1	1974055951	YIOMSXLGQBWYFS-UHFFFAOYSA-N	322.383	0.770	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccc(C)c(N)c2)CCOC1	159916347	YDPRAFILKIOYKH-ZDUSSCGKSA-N	300.380	0.661	70	10	DCIE	
CSCC[C@@H](C)N(C)C(=O)C[C@@H]1CS(=O)(=O)CCN1	161249557	MAXKYGOXGKXNKV-GHMZBOCLSA-N	308.469	0.363	70	10	DCIE	
O=S(=O)(Cl)CCCN1C[C@@H]2CCCS(=O)(=O)[C@@H]2C1	2028432835	NZBDSCSKEJJFHZ-VHSXEESVSA-N	315.844	0.454	70	10	DCIE	
C[C@@H]1CC[C@@H](CCn2cc(S(=O)(=O)Cl)c(O)nc2=O)O1	2161164058	LKHKRLZLEMZPEC-SFYZADRCSA-N	322.770	0.834	70	10	DCIE	
C[C@]1(C(=O)Nc2ccc(S(=O)(=O)F)nc2)CNC(=O)C1	2172376005	ATBPJGLYXCWLKG-LLVKDONJSA-N	301.299	0.205	70	10	DCIE	
Fc1cc([B-](F)(F)F)cnc1N1CCN2CCOC[C@H]2C1	2185880401	FKCMZRMTZOIOOG-SNVBAGLBSA-N	304.076	0.796	70	10	DCIE	
O=S(=O)(N1CC[C@H](O)C1)N1CCC[C@H]([B-](F)(F)F)C1	2070264564	QCOUKNJIFLXPMY-IUCAKERBSA-N	301.119	0.611	70	10	DCIE	
COC[C@@]12CN(c3ncc([B-](F)(F)F)cn3)C[C@@H]1CCO2	2239825271	TWAOTIXXHZZLJS-CABZTGNLSA-N	302.085	0.773	70	10	DCIE	
C[C@@H](CNC[C@@H](C)O)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1319533298	CRFKEKXVILDVAC-DTWKUNHWSA-N	321.374	0.104	70	10	DCIE	
CC1(CS(C)(=O)=O)CN(c2ncncc2[B-](F)(F)F)C1	2116549576	IVAMXDQLUYYVCR-UHFFFAOYSA-N	308.114	0.402	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)[C@@H]2CC23CCC3)C1	2134974749	JSPLNVDRSVMVKT-SNVBAGLBSA-N	311.400	0.880	70	10	DCIE	
O=C(NCC1(NCCF)CCC1)c1cc(S(=O)(=O)F)c[nH]1	1733723183	DSPUQWVVMCUVAD-UHFFFAOYSA-N	321.349	0.885	70	10	DCIE	
CC(C)(C)n1c(-c2ccc(=O)[nH]n2)nnc1S(=O)(=O)Cl	232527268	FFFPGMUURMQURN-UHFFFAOYSA-N	317.758	0.711	70	10	DCIE	
C[C@@H]1Oc2ccccc2N(CCC(=O)NC2(CO)CC2)C1=O	160273429	HYRGLJDGXBNZGS-NSHDSACASA-N	304.346	0.832	70	10	DCIE	
COc1ccc(S(=O)(=O)NCCNC(=O)C2CC2)c(N)c1	160647323	RCTUYSJSSGHEJX-UHFFFAOYSA-N	313.379	0.082	70	10	DCIE	
O=S(=O)(N1CCOCC1)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	1879776075	MOXHFGLHLYPNKI-VHSXEESVSA-N	313.130	0.877	70	10	DCIE	
O=C([C@H]1CCc2nc[nH]c2C1)N1CC[C@H](S(=O)(=O)F)C1	2144731957	AAMKIMLQGOTQOG-IUCAKERBSA-N	301.343	0.415	70	10	DCIE	
O=C(N1CC(CS(=O)(=O)F)C1)C(F)(F)C1CCOCC1	1968227358	NKDRSKRNLHIBRM-UHFFFAOYSA-N	315.313	0.806	70	10	DCIE	
CC(C)(C)C(=O)NCCC(=O)N1CC(CS(=O)(=O)F)C1	1968215332	DJSABUWWXZMJAL-UHFFFAOYSA-N	308.375	0.297	70	10	DCIE	
CC(C)(C)[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)C1	159550375	VIQBHDXKJLBXIX-VXGBXAGGSA-N	302.440	0.658	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccc(F)c(N)c2)CCOC1	159899612	OYCYBTQUHGMKRC-LBPRGKRZSA-N	304.343	0.492	70	10	DCIE	
COCCn1c(C[C@@H]2CCOC2)nnc1S(=O)(=O)Cl	401516579	LGTRDUMKHKCBCB-QMMMGPOBSA-N	309.775	0.431	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	2164430109	FHOTUAABBAWVEK-KKJSVHSVSA-N	302.371	0.541	70	10	DCIE	
C=CCNC(=O)[C@H](C)n1cc(S(=O)(=O)Cl)nc1COC	2182344348	TUZCAGHCCSPPKG-QMMMGPOBSA-N	321.786	0.820	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2191019718	GFCIXILFVFONBW-DVYMNCLGSA-N	302.371	0.683	70	10	DCIE	
O=C(Cc1ccc(Cl)nc1)N[C@@H]1CCN(S(=O)(=O)F)C1	2287076629	ALIORDVTMFNWAF-SECBINFHSA-N	321.761	0.682	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@]12CCC[C@H]1CSC2	2359647465	PNXOXLZRCNFAAD-NHCYSSNCSA-N	322.427	0.925	70	10	DCIE	
O=S1(=O)C[C@H]2CCN(c3ncccc3[B-](F)(F)F)[C@@H]2C1	2116148857	VZYXDZNNWHWWDQ-PSASIEDQSA-N	305.110	0.759	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(N)c1	218158061	SUZHPEADBDDBEI-UHFFFAOYSA-N	305.787	0.679	70	10	DCIE	
Cn1cc(NC(=O)C(=O)N2CC[C@H](Oc3cccnc3)C2)cn1	161007495	AVFXFYAUCCEPLQ-ZDUSSCGKSA-N	315.333	0.434	70	10	DCIE	
CCNc1nnc(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)s1	160749329	VOMIJADAXYYCGA-BDAKNGLRSA-N	309.395	0.711	70	10	DCIE	
Cc1cc(NC(=O)C(=O)N2CC[C@@H](Oc3cccnc3)C2)no1	160991518	BZTYANXNDMILLF-GFCCVEGCSA-N	316.317	0.996	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2COC[C@H]2F)c1S(=O)(=O)Cl	1875999988	NGGMIWBTXQYUID-RITPCOANSA-N	311.722	0.112	70	10	DCIE	
O=[N+]([O-])c1ccc(Cc2nnnn2CCS(=O)(=O)F)cc1	883953649	DTHCOBOZZPEPPE-UHFFFAOYSA-N	315.286	0.471	70	10	DCIE	
Cc1nc(CC(=O)N2CCN(S(=O)(=O)F)CC2)cs1	1974001734	ZVLGMHKKQLQVQG-UHFFFAOYSA-N	307.372	0.353	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CO[C@H]3C[C@@H]2C3)c1S(=O)(=O)Cl	2183066602	LCJSFKJZFYZZMQ-GJMOJQLCSA-N	319.770	0.553	70	10	DCIE	
Cc1[nH]nc(C(=O)OCCn2cccn2)c1S(=O)(=O)Cl	2184422579	HTMWRJWYOXSVGR-UHFFFAOYSA-N	318.742	0.699	70	10	DCIE	
CNC(=O)[C@H](C)Oc1ccc(C(=O)O)cc1S(=O)(=O)F	2191424448	STFFZBZRBJPESA-LURJTMIESA-N	305.283	0.556	70	10	DCIE	
O=S(=O)(N1CCC([B-](F)(F)F)CC1)N1CC[C@@H](O)C1	2223252062	ZPBDERPNVKIYKN-SECBINFHSA-N	301.119	0.611	70	10	DCIE	
COCCn1c([C@@]23C[C@@H](OC)[C@@H]2C3)nnc1S(=O)(=O)Cl	2354279071	DKERXOUXGYQLRN-RNSXUZJQSA-N	321.786	0.528	70	10	DCIE	
C=CCNCC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1320552564	IWJVQAMTZUAGFE-VIFPVBQESA-N	303.359	0.957	70	10	DCIE	
CC(C)[C@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C(N)=O	1539748466	HMNCLUDKVXEVMQ-LBPRGKRZSA-N	316.354	0.513	70	10	DCIE	
Cc1nn(C)c(C)c1OCC(=O)NC[C@H](O)CN1CCCCC1	160282193	WHULNKRBIABGCI-AWEZNQCLSA-N	324.425	0.379	70	10	DCIE	
CN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1cccnc1	159379089	XTSDMNOZPSZFSB-UHFFFAOYSA-N	306.366	0.185	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(CCOC)CCOC)cc1N	159578598	UHLHHBYGKVUKJM-UHFFFAOYSA-N	317.411	0.276	70	10	DCIE	
CC12CC(C(=O)N3CC(S(=O)(=O)F)C3)(C1)C1(CCC1)O2	1968216158	TUSVNEHQVSFJMT-UHFFFAOYSA-N	303.355	0.988	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cc(F)cc(F)c1	1974059533	MSMVWOZKWPYVQN-UHFFFAOYSA-N	308.281	0.841	70	10	DCIE	
C[C@]1(CNc2cnn(CCO)c(=O)c2Cl)CCCNC1	160020531	MKQYSEQNKQJZEU-ZDUSSCGKSA-N	300.790	0.691	70	10	DCIE	
COCCS(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1O	160327143	KXTAPLHAZKBMSH-UHFFFAOYSA-N	309.365	0.184	70	10	DCIE	
Cc1cc(N2CC[C@@H](NS(C)(=O)=O)C2)ncc1[B-](F)(F)F	2172773991	JLWRJTMAKBBBGF-SECBINFHSA-N	322.141	0.572	70	10	DCIE	
CCN(c1ncnc(C)c1[B-](F)(F)F)[C@@H]1CCS(=O)(=O)C1	2172768984	QQWDIQJLFWFASK-SECBINFHSA-N	322.141	0.853	70	10	DCIE	
CCn1nnnc1CN(C)c1ncc(F)cc1[B-](F)(F)F	2196303524	FWAQZIPTUKRDRE-UHFFFAOYSA-N	303.052	0.918	70	10	DCIE	
CC(C)Cn1c([C@@H]2CN(C)CCO2)nnc1S(=O)(=O)Cl	2187815036	MTKJNEAJZGAUML-VIFPVBQESA-N	322.818	0.865	70	10	DCIE	
O=C([C@@H]1CC[C@H]2C[C@H]1CO2)N1CC(CCS(=O)(=O)F)C1	2199699090	VEDXZQVEIPYDIK-SDDRHHMPSA-N	305.371	0.949	70	10	DCIE	
O=C([C@@H]1C[C@@H]1C1CCOCC1)N1CC[C@H](S(=O)(=O)F)C1	2200091269	OKHUOKFXUVIMLA-QJPTWQEYSA-N	305.371	0.949	70	10	DCIE	
CS(=O)(=O)[C@@H]1CC[C@@]2(CC(=O)N2S(=O)(=O)Cl)C1	2299778506	NDFPIIVGAGGKIR-SVRRBLITSA-N	301.773	0.038	70	10	DCIE	
COCCCNC(=O)[C@H](C)n1cc(S(=O)(=O)Cl)cn1	215692914	PTLCFZVNCFBGOO-QMMMGPOBSA-N	309.775	0.524	70	10	DCIE	
C[C@H](Cn1cncn1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1123469429	UUPBSVAAXSMMHJ-SSDOTTSWSA-N	301.303	0.083	70	10	DCIE	
O=C(C[C@H]1CCNC1=O)Nc1ncc(S(=O)(=O)F)s1	1438189488	PIWLAUVPDCXYMM-RXMQYKEDSA-N	307.328	0.266	70	10	DCIE	
C=CCCC(=O)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1757935786	SCAASDIXCFPZPK-UHFFFAOYSA-N	317.342	0.485	70	10	DCIE	
CCc1c(C(=O)N(CC(N)=O)CC(C)C)[nH]c(C)c1C(N)=O	160978296	OQQRIVWIPXXILA-UHFFFAOYSA-N	308.382	0.568	70	10	DCIE	
COc1cc(N)cc(-c2nnnn2[C@H]2CCS(=O)(=O)C2)c1	159848855	RVJJQKOMYVCTBE-JTQLQIEISA-N	309.351	0.291	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1CC12CCOCC2	1974055373	QCXFKLOBRZOAKD-SNVBAGLBSA-N	306.359	0.065	70	10	DCIE	
CO[C@@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	300174610	FZYBSKLEJXGSLP-SECBINFHSA-N	323.367	0.754	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@]23COC[C@@H]2C3)c1S(=O)(=O)Cl	689325325	AVMUNXUAFWGOTA-CPCISQLKSA-N	319.770	0.412	70	10	DCIE	
CON(c1ncc([B-](F)(F)F)cn1)C1CCS(=O)(=O)CC1	2173180325	VEEBPQKTGQUHIE-UHFFFAOYSA-N	324.113	0.476	70	10	DCIE	
CO[C@@H](C)[C@H](C)NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2105039044	WGZXQGUFVXHNQZ-FSPLSTOPSA-N	309.775	0.799	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1	2088470197	VJTLGHCCDKJILN-SECBINFHSA-N	315.388	0.259	70	10	DCIE	
CC(C)(C)CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2258984629	BLHWSBRHNUBVDK-QMMMGPOBSA-N	302.393	0.241	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C1CC2(CCCO2)C1	2287065817	RBJOVCGQIPVEFU-SQLBVSGCSA-N	306.359	0.350	70	10	DCIE	
COCCn1c(-c2ccnnc2)nnc1S(=O)(=O)Cl	229240232	WFLRVZGVMIEFAG-UHFFFAOYSA-N	303.731	0.309	70	10	DCIE	
C#CCCN(C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1569138543	CQWXVTRPAFLWRU-SNVBAGLBSA-N	315.370	0.746	70	10	DCIE	
CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCNC(=O)CC1)CC2	161439328	HMSMWYMNEGSCOV-LLVKDONJSA-N	320.397	0.248	70	10	DCIE	
NC(=O)c1ccc(OCC(=O)N2C[C@@H]3CCC[C@H](C2)N3)cc1	159469099	WZYJKPZRRPGCMP-BETUJISGSA-N	303.362	0.517	70	10	DCIE	
C[C@H](Oc1cccnc1)C(=O)N1CCS(=O)(=O)C(C)(C)C1	159893607	XWAHXIHUZCVCJI-NSHDSACASA-N	312.391	0.885	70	10	DCIE	
O=[N+]([O-])c1nn(C[C@]23C[C@H](CO2)C3)cc1S(=O)(=O)Cl	1879819609	PXWPWGXTQNVTEZ-KZCWHLCOSA-N	307.715	0.898	70	10	DCIE	
CN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)CC1	1963983145	JVKRGVDXVJBWCV-UHFFFAOYSA-N	322.383	0.281	70	10	DCIE	
COc1ccccc1S(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2144734333	ZPUBXYNUYXQISF-SECBINFHSA-N	323.367	0.758	70	10	DCIE	
COC(=O)[C@H](C)S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	160571930	CDDQGCHKIXHFLB-DMDPSCGWSA-N	305.396	0.505	70	10	DCIE	
Cc1nn(C[C@H]2CCN(C)C2=O)c(C)c1S(=O)(=O)Cl	692743079	TWJMYVOLTIFWFE-SECBINFHSA-N	305.787	0.906	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1[C@@H]2CCCO[C@@H]21	2176466954	UJIYLMSFSSDFTL-AXFHLTTASA-N	306.359	0.206	70	10	DCIE	
N#CCNC(=O)COc1c(F)cc(F)cc1S(=O)(=O)F	2191425912	JJDMFJPZPBXWLN-UHFFFAOYSA-N	308.237	0.642	70	10	DCIE	
CS(=O)(=O)N1CCC[C@H](OCCCS(=O)(=O)Cl)C1	2257816914	CEJYFEVLQUEKSE-VIFPVBQESA-N	319.832	0.386	70	10	DCIE	
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(=O)[nH]n2)CC1	217304116	FFAWYZFMQKWLMN-UHFFFAOYSA-N	323.353	0.855	70	10	DCIE	
CC(C)(C)OC(=O)N[C@H](CO)C(=O)On1nnc2ccccc21	238162465	GFTDOPNJFYSZFW-SNVBAGLBSA-N	322.321	0.272	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@@H]1COC[C@@H]1OC	2125954358	SZNBJPLEGMDDTM-SFYZADRCSA-N	310.759	0.543	70	10	DCIE	
CN1CCN(C2CN(c3nc([B-](F)(F)F)cs3)C2)CC1	2116128129	OKXIXKFQKLMPHR-UHFFFAOYSA-N	305.158	0.634	70	10	DCIE	
CC(=O)NCC1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1722052008	IRPYGMSYGWLTLP-UHFFFAOYSA-N	303.315	0.071	70	10	DCIE	
COCCNCC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1732730566	BVIZWWLSQKWTQL-VIFPVBQESA-N	321.374	0.417	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(C)CC2(O)CCCC2)c(N)c1	161059295	AWTYZPBRVBVQLP-UHFFFAOYSA-N	313.423	0.918	70	10	DCIE	
C[C@@H](NC(=O)CN(C)C(N)=O)c1cn(-c2ccccc2)nn1	160057239	JQKBENLAFIVWKC-SNVBAGLBSA-N	302.338	0.455	70	10	DCIE	
C[C@@H](CO)N(C)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1	160515248	LMXOSRVQRQAGNN-ZANVPECISA-N	322.340	0.085	70	10	DCIE	
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H]1C(=O)NC	159715222	KEPIVNCWMODPOL-WDEREUQCSA-N	320.397	0.595	70	10	DCIE	
CNCC1CCN(S(=O)(=O)N2C[C@H](C)N(C)[C@H](C)C2)CC1	159778162	QWUJRHYEVZVYFM-BETUJISGSA-N	318.487	0.187	70	10	DCIE	
CO[C@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	234933184	FZYBSKLEJXGSLP-VIFPVBQESA-N	323.367	0.754	70	10	DCIE	
C[C@@H]1C[C@H]1CNS(=O)(=O)N1CCC[C@H](CNC2CC2)C1	160815392	BTUWPLUKZAYRQS-UPJWGTAASA-N	301.456	0.941	70	10	DCIE	
CN(C)C1(CNS(=O)(=O)C[C@H]2CCCCN2)CCCC1	160950181	GNTYOZBFGBLKEJ-CYBMUJFWSA-N	303.472	0.922	70	10	DCIE	
CCCn1c(C2CS(=O)(=O)C2)nnc1S(=O)(=O)Cl	2036167748	WBXFMNISNSWMKV-UHFFFAOYSA-N	313.788	0.128	70	10	DCIE	
Cc1ncnc(N2CCN3CCOC[C@H]3C2)c1[B-](F)(F)F	2185882367	NRSGOWNSSRWLFY-SNVBAGLBSA-N	301.101	0.360	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccc2c(c1)OCO2	2284152814	CXFAIGBHKMFQGR-UHFFFAOYSA-N	302.283	0.044	70	10	DCIE	
COc1ccc(CNC(=O)N2CCN(CCN)CC2)cc1OC	217313422	HXBIQKMAKVNNDP-UHFFFAOYSA-N	322.409	0.490	70	10	DCIE	
CN1CCC(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)CC1	691591723	RSYLYEYTDSPVSB-UHFFFAOYSA-N	321.786	0.218	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CNC(=O)C1	2125939947	AGQMNSIDMXPVRZ-SSDOTTSWSA-N	307.759	0.093	70	10	DCIE	
CCc1n[nH]c(=O)c(CNC(=O)NC[C@@H]2CCC[C@H]2O)c1CC	160365295	XBZSBGCFGNJSNC-IINYFYTJSA-N	322.409	0.855	70	10	DCIE	
Cc1cc(C[C@H](C)NC(=O)NCC2(CO)CCOCC2)n[nH]1	159764472	KERNHHXIRWHGLQ-NSHDSACASA-N	310.398	0.737	70	10	DCIE	
COCCn1ncc(NCc2cnn(C)c2N)c(Cl)c1=O	159766008	KDKJYOICLASITB-UHFFFAOYSA-N	312.761	0.471	70	10	DCIE	
CC(C)[C@H](C(=O)N1CCOC[C@@H]1C(=O)NC1CC1)C(N)=S	159782168	QCWCYFUZHZFVLE-MNOVXSKESA-N	313.423	0.051	70	10	DCIE	
CC(C)(C)NC(=O)CNC(=O)c1sc2nnccc2c1N	159987280	WUVBXGQJQAHIEJ-UHFFFAOYSA-N	307.379	0.918	70	10	DCIE	
CCOC(=O)c1nnn(C[C@@H]2CN(C)CCO2)c1C(F)F	159599896	NTUZANSETNDXPW-QMMMGPOBSA-N	304.297	0.723	70	10	DCIE	
Cc1noc(C)c1CC(=O)N1CCN(S(=O)(=O)F)CC1	1974000769	GNQDFBGMXKTUHS-UHFFFAOYSA-N	305.331	0.192	70	10	DCIE	
NC(=O)NCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21	160861611	WMCQTNIBCMRLLJ-JTQLQIEISA-N	301.343	0.302	70	10	DCIE	
CN(C)[C@@H]1CC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	2157692539	OZAUZMSHCNNXIW-VHSXEESVSA-N	319.814	0.775	70	10	DCIE	
COCC(COC)N(C)c1ncc([B-](F)(F)F)c(OC)n1	2172769857	CSRBOOMYRHZCFM-UHFFFAOYSA-N	308.089	0.637	70	10	DCIE	
C[C@@H](CCCN1CC[C@H](S(C)(=O)=O)C1)S(=O)(=O)Cl	2059345522	YBYYPNNVZCREJH-UWVGGRQHSA-N	317.860	0.843	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1CC[C@@H]2C[C@H]1CO2	2359646940	HDYHERNDZPEVCY-MMWGEVLESA-N	306.359	0.206	70	10	DCIE	
O=c1[nH]c(=O)n(CCCC(F)(F)F)cc1S(=O)(=O)Cl	149003653	DAESJHMKAOFERY-UHFFFAOYSA-N	320.676	0.807	70	10	DCIE	
CN(C1CCC1)S(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2134977274	RCJAHKCNFQZRPW-UHFFFAOYSA-N	314.404	0.337	70	10	DCIE	
Cc1n[nH]c(SCC(=O)NC[C@H](O)CN2CCCCC2)n1	160291511	FOJLIMTXMQHIOP-NSHDSACASA-N	313.427	0.168	70	10	DCIE	
O=C(NC[C@@]1(CCO)CCOC1)C(=O)Nc1ccc(F)cc1	160903311	JVNWNVRLTPEAIQ-OAHLLOKOSA-N	310.325	0.670	70	10	DCIE	
C[C@@H]1CCCC[C@@H]1OC[C@H](O)CNCCNC(=O)N(C)C	160955748	YTFLZCCWSOYKOJ-MCIONIFRSA-N	301.431	0.803	70	10	DCIE	
CN1CC[C@H]1CNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	712299172	MDPDUUYFQNUXOY-VIFPVBQESA-N	322.383	0.327	70	10	DCIE	
CN1CCN(C(=O)c2cc(S(=O)(=O)Cl)cn2C)[C@@H]2C[C@@H]21	2168374676	YDAOHTZFMWTTHV-VHSXEESVSA-N	317.798	0.481	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CC12CC(F)(F)C2	2189409219	HZBVKLOFZYVLMC-QMMMGPOBSA-N	312.313	0.684	70	10	DCIE	
O=C(NCCN1CC[C@@H]2C[C@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2290287264	WQBAWDMHWYAHRG-LDYMZIIASA-N	317.798	0.766	70	10	DCIE	
NC(=O)CCCCCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	2295821333	MDXLOBDICNTGRK-UHFFFAOYSA-N	324.746	0.765	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CCS(=O)(=O)C(C)C	232961150	SOTPQTKTNDCANZ-UHFFFAOYSA-N	314.816	0.942	70	10	DCIE	
O=C(Nc1nc2c(s1)C(=O)NCCC2)c1ccc(=O)[nH]n1	218485006	HYUQNJRJSXEMOU-UHFFFAOYSA-N	305.319	0.155	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)CC(C)(C)C#N)n1	2166365244	ABOYVSBUICVOAK-UHFFFAOYSA-N	324.359	0.370	70	10	DCIE	
O=S1(=O)C[C@H]2C[C@@H](OS(=O)(=O)C(F)(F)F)C[C@H]2C1	1953259100	PKRMAVAOMDLOHM-KVSKUHBBSA-N	308.299	0.676	70	10	DCIE	
CNC(=O)c1cccc(CCC(=O)NCC[C@H](O)COC)c1	161070751	TZMFMQNRVDAATQ-AWEZNQCLSA-N	308.378	0.492	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cccc(F)c2CN)CCOC1	160169727	DMXXPJXWHHXIIG-CYBMUJFWSA-N	318.370	0.368	70	10	DCIE	
CC(C)(C(=O)N1CCN(S(=O)(=O)F)CC1)[C@@H]1CCCO1	1974015033	PCQIRUOIXUNBRJ-JTQLQIEISA-N	308.375	0.550	70	10	DCIE	
COCCn1ncc(N2CC[C@@H](N)C[C@@H]2C)c(Cl)c1=O	159930935	SODRIHJOQGLZDS-VHSXEESVSA-N	300.790	0.859	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C[C@H]2C(F)(F)F)[nH]1	2156846368	WPJNJGBAOKQIAZ-CRCLSJGQSA-N	315.248	0.637	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CCCN1CCN(C)C1=O	690445234	BFSCGAKNKNOHJF-UHFFFAOYSA-N	320.802	0.877	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCN1CCOCC1	2182342543	HTLPZRAHJZQARA-UHFFFAOYSA-N	323.802	0.289	70	10	DCIE	
Cc1cc(OCC(=O)N2CC(CCS(=O)(=O)F)C2)no1	2199689150	PCWZIVNMJJMSQF-UHFFFAOYSA-N	306.315	0.510	70	10	DCIE	
C[C@@H]1[C@@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1(F)F	2095472428	MVDZMJYOLURZMC-RFZPGFLSSA-N	314.697	0.778	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1Cc1ncnn1C	115204133	PZIYAYAXTFDZPO-UHFFFAOYSA-N	303.775	0.940	70	10	DCIE	
O=C(CC1CC1)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218640753	VMNGDSVLCMACRU-UHFFFAOYSA-N	313.365	0.506	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@@H](C)COC)c1S(=O)(=O)Cl	115799704	BZWKVBKPEMHGCG-SSDOTTSWSA-N	323.802	0.912	70	10	DCIE	
N#CCNC[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1716785041	RDULMWLKMGEZGP-VIFPVBQESA-N	314.342	0.391	70	10	DCIE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923157050	RRPHOQUDCFDSOV-XGEHTFHBSA-N	301.343	0.731	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cccc([C@H](C)O)c2)CCOC1	161088068	WKZLQEFQYLEPRJ-SMDDNHRTSA-N	315.391	0.824	70	10	DCIE	
O=C(N[C@@H]1CCc2ncnn2C1)N1CC[C@H](N2CCCC2)C1	161128611	LOVIYHCCRPNTHE-OLZOCXBDSA-N	304.398	0.473	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1[C@@H](C)C(=O)OC(C)(C)C	160044925	ZOBYIPQMIHRUIG-NWDGAFQWSA-N	300.399	0.944	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)NCC2(O)CCCCC2)[C@H](C)CO1	159823897	YZQNHAWMBMSGRV-NEPJUHHUSA-N	306.428	0.625	70	10	DCIE	
COc1cccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)c1	2144734149	XTIQNKNCQMWERW-NSHDSACASA-N	323.367	0.758	70	10	DCIE	
COCC1(CC(=O)NC2CCN(S(=O)(=O)F)CC2)CC1	1974394280	GPQUMUZDVSKOIX-UHFFFAOYSA-N	308.375	0.598	70	10	DCIE	
CNC(=O)[C@H]1COCCN1c1cccc(Cl)c1C(N)=S	159797306	VDCWLXBKHOUQLC-SNVBAGLBSA-N	313.810	0.925	70	10	DCIE	
CNS(=O)(=O)c1ccc(NC[C@]2(OC)CCOC2)cc1	160634248	UKTLHUJIXHYSIL-CYBMUJFWSA-N	300.380	0.812	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cn1)[C@@H]1CCN(S(C)(=O)=O)C1	2172772258	KZRPALSPSPFBLR-SECBINFHSA-N	323.129	0.001	70	10	DCIE	
COc1nc(N2CC(CS(C)(=O)=O)C2)ncc1[B-](F)(F)F	2172761952	CUUXTBPGNILEMT-UHFFFAOYSA-N	324.113	0.020	70	10	DCIE	
Cc1[nH]nc(C(=O)NCCOC(F)F)c1S(=O)(=O)Cl	398212735	JRQQBDBAYNSGPN-UHFFFAOYSA-N	317.701	0.615	70	10	DCIE	
O=S1(=O)C[C@@H]2[C@@H](CCN2c2nc([B-](F)(F)F)cs2)C1	2052597473	QXKKQQBZZDUWHP-NKWVEPMBSA-N	311.139	0.821	70	10	DCIE	
CS(=O)(=O)N1CC[C@H](Oc2ccc(S(=O)(=O)F)cc2)C1	2191433013	SKDZFINMMZTFKR-JTQLQIEISA-N	323.367	0.758	70	10	DCIE	
COc1ccccc1S(=O)(=O)N1CC(CS(=O)(=O)F)C1	2199687452	VOTNKQIZXBMASU-UHFFFAOYSA-N	323.367	0.615	70	10	DCIE	
COCCN(C(=O)NC(F)(F)F)[C@H]1CCS(=O)(=O)C1	217266932	KHXPKNJCIXOBSS-ZETCQYMHSA-N	304.290	0.351	70	10	DCIE	
CCn1nc(C)c(NC(=O)CN2CC[C@@H](CO)[C@H](O)C2)c1C	217001361	LYSDZQZZZGZPBS-QWHCGFSZSA-N	310.398	0.133	70	10	DCIE	
CCCNC(=O)Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215922997	UCAGCXFTGYGNGQ-UHFFFAOYSA-N	310.719	0.245	70	10	DCIE	
CCCn1c([C@@H]2CN(C)CCO2)nnc1S(=O)(=O)Cl	2131266775	SZZZRGBEUCJLHH-QMMMGPOBSA-N	308.791	0.619	70	10	DCIE	
COC[C@@H](C)NC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1716411844	AKJXSJAFOCZVDU-RKDXNWHRSA-N	321.374	0.416	70	10	DCIE	
O=C(Nn1nnc2c1CCCC2)c1cc(S(=O)(=O)F)c[nH]1	1597442629	FVFMXBQZKTUHGE-UHFFFAOYSA-N	313.314	0.527	70	10	DCIE	
CNC(=O)[C@H]1COCCN1c1nc(Cl)nc(OC(C)C)n1	160267997	SPDXMZSKVSIYBE-MRVPVSSYSA-N	315.761	0.263	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1c1cnccc1C(N)=S	159814315	MWAFMFCQRRFWEV-LBPRGKRZSA-N	308.407	0.446	70	10	DCIE	
O=S(=O)(C(F)F)C1CN(c2ccc([B-](F)(F)F)cn2)C1	2141747217	ZKRIDEDOKWGDPM-UHFFFAOYSA-N	315.052	0.962	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1[C@@H]2CCOC[C@H]21	2150094787	RDDCXYLYAZIUML-XLPZGREQSA-N	320.754	0.159	70	10	DCIE	
C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	163334626	MEWSEYGECMPUBY-GZMMTYOYSA-N	323.367	0.801	70	10	DCIE	
CC(C)n1c([C@@H]2CCS2(=O)=O)nnc1S(=O)(=O)Cl	2033313628	QSHWOQXARXIGEW-LURJTMIESA-N	313.788	0.646	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC1(COC)COC1	2199417254	SRUJPOLDLYPVKE-UHFFFAOYSA-N	324.786	0.620	70	10	DCIE	
O=C(N1CC(CCS(=O)(=O)F)C1)[C@@]12COC[C@H]1C2(F)F	2199688879	NDTMHKLSROAVDI-PSASIEDQSA-N	313.297	0.416	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(-n2cc(S(C)(=O)=O)cn2)n1	2289128618	WBHHGMQHNIIPRW-UHFFFAOYSA-N	319.097	0.737	70	10	DCIE	
O=C(NCCOc1cccnc1)c1cc(S(=O)(=O)F)c[nH]1	1265203911	CRRQLELWCRZJON-UHFFFAOYSA-N	313.310	0.877	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)[nH]1	1923172947	CJCREYLNPKVCLB-CIUDSAMLSA-N	301.343	0.875	70	10	DCIE	
C[C@@H](O)CNCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1668214643	MOFXZQHMZLJASI-RKDXNWHRSA-N	321.374	0.152	70	10	DCIE	
C=C1COC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	1965839787	IGAMTBHURCVVHQ-LLVKDONJSA-N	321.351	0.578	70	10	DCIE	
Cc1cccc(C(=O)N2CCN(S(=O)(=O)F)CC2)c1O	1974001164	OBWRACBWDLQNCA-UHFFFAOYSA-N	302.327	0.673	70	10	DCIE	
CO[C@H]1COC[C@@H]1N(C)c1nc(C)nc(C)c1[B-](F)(F)F	2177283568	NPSXTOCGVMRSGI-UWVGGRQHSA-N	304.101	0.998	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2C[C@H]3C[C@H]3C2)cc1	380381430	LNJMQYASVMQRDO-DTORHVGOSA-N	305.352	0.985	70	10	DCIE	
CCc1[nH]nc(C(=O)NCCC2COC2)c1S(=O)(=O)Cl	2167496770	QBWFAOVFYCIYMW-UHFFFAOYSA-N	321.786	0.666	70	10	DCIE	
CS(=O)(=O)N1CCC(Oc2ncc([B-](F)(F)F)cn2)CC1	2285598798	DZVOZCWAUCKMSS-UHFFFAOYSA-N	324.113	0.334	70	10	DCIE	
CCc1nn(C)cc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287074619	HOJZNISRBKUEFC-MRVPVSSYSA-N	304.347	0.001	70	10	DCIE	
O=C(C[C@@H]1C[C@H]1C(F)(F)F)N[C@H]1CCN(S(=O)(=O)F)C1	2287074215	CHNVHCMRSREFOU-BIIVOSGPSA-N	318.292	0.980	70	10	DCIE	
O=C(N[C@H]1C[C@@H]2CC[C@H]1O2)c1cc(S(=O)(=O)Cl)c[nH]1	2329055696	PYPDNFVWSYPSEJ-KADJCCMJSA-N	304.755	0.992	70	10	DCIE	
O=C(Nc1ccc(S(=O)(=O)Cl)cc1)[C@@H]1COCCO1	108176000	ZLRWWXYZNSYOFZ-JTQLQIEISA-N	305.739	0.968	70	10	DCIE	
C[C@@H]1OCC[C@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2121147856	OKLQMTMNKLRPEH-BQBZGAKWSA-N	308.743	0.301	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1ccccc1C(N)=S	218197065	IVAPZFIKYDIGAO-UHFFFAOYSA-N	315.420	0.077	70	10	DCIE	
CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	163296191	QQZVLWIZQILTGI-UHFFFAOYSA-N	311.356	0.660	70	10	DCIE	
O=S1(=O)CC(COc2ccc(F)cc2S(=O)(=O)F)C1	1875863677	LOJSGISCFMYDAN-UHFFFAOYSA-N	312.315	0.907	70	10	DCIE	
CC1(C)[C@@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C1(F)F	1974014370	IFDBLFPTSIBISA-SSDOTTSWSA-N	300.302	0.636	70	10	DCIE	
CC(C)(C)[C@@H]1CCN(S(=O)(=O)CCN2CCNCC2)C1	160619378	WKNFSOLDZOZOKB-CYBMUJFWSA-N	303.472	0.589	70	10	DCIE	
CCn1c(-c2ccc3ncnn3c2)nnc1S(=O)(=O)Cl	2156048486	CNWNQQRVLIWJRP-UHFFFAOYSA-N	312.742	0.935	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2C[C@@]2(C)OC)c1S(=O)(=O)Cl	703695270	OLUZFAVIVYBSDI-RDDDGLTNSA-N	321.786	0.807	70	10	DCIE	
O=C1CC[C@H](Cn2cc(S(=O)(=O)Cl)nc2C2CC2)N1	704277795	AZQSOVCWHYDSFD-MRVPVSSYSA-N	303.771	0.967	70	10	DCIE	
CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)c1ncccc1[B-](F)(F)F	2172780005	KNYKWOBJDQYRRU-NXEZZACHSA-N	323.125	0.384	70	10	DCIE	
COCCn1c(-c2cc(C)[nH]n2)nnc1S(=O)(=O)Cl	716719613	RTVXPEIMCSQCFF-UHFFFAOYSA-N	305.747	0.551	70	10	DCIE	
CC[C@@H](C)S(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2049919190	SLOODXJCZSLXMZ-MRVPVSSYSA-N	302.393	0.383	70	10	DCIE	
O=C([C@H]1CC[C@H]2C[C@H]1CO2)N1CC(CCS(=O)(=O)F)C1	2199699091	VEDXZQVEIPYDIK-SRVKXCTJSA-N	305.371	0.949	70	10	DCIE	
CN(CC1CC(S(C)(=O)=O)C1)c1ncncc1[B-](F)(F)F	2285298387	FJBXFUFPBSMQPZ-UHFFFAOYSA-N	322.141	0.790	70	10	DCIE	
O=S(=O)(NC1CN(S(=O)(=O)F)C1)C1CCCCCC1	2268779915	ITZMPYZLVCLLEO-UHFFFAOYSA-N	314.404	0.527	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1Cc2ccccc2S1	2284152171	YAEDEEAPRCLCGU-LLVKDONJSA-N	316.379	0.718	70	10	DCIE	
O=S1(=O)CC(S(=O)(=O)N2CC[C@@H]([B-](F)(F)F)C2)C1	2303151352	LROGPDVTSAJSNL-ZCFIWIBFSA-N	306.116	0.037	70	10	DCIE	
CS(=O)(=O)C1CC(COc2ncc([B-](F)(F)F)cn2)C1	2352620191	NRXVXVAGPKWKEP-UHFFFAOYSA-N	309.098	0.733	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2CCCO2)c1S(=O)(=O)Cl	115016900	LETAIXOLXYUEHT-SSDOTTSWSA-N	307.759	0.554	70	10	DCIE	
Cc1noc(C)c1CCC(=O)NC[C@H](O)Cn1ccccc1=O	218396994	DCGAENPUAKUHNR-ZDUSSCGKSA-N	319.361	0.563	70	10	DCIE	
COc1ccc(CNC(=O)N2CCN(CCO)CC2)cc1OC	217313434	MEWAQQKWUVENOU-UHFFFAOYSA-N	323.393	0.523	70	10	DCIE	
NC(=O)CSCCC(=O)Nc1ccc(S(=O)(=O)F)nc1	2166519118	MDVXUCZXVKGREA-UHFFFAOYSA-N	321.355	0.287	70	10	DCIE	
CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)F)[C@]2(CCOC2)C1	1955898186	SWSIBXISLKYPHP-JOYOIKCWSA-N	324.374	0.959	70	10	DCIE	
C[C@@H]([C@@H](C)N(C)c1ncncc1[B-](F)(F)F)S(C)(=O)=O	2116146539	UQYNHTDSENJHDY-SFYZADRCSA-N	310.130	0.789	70	10	DCIE	
CCC[C@@H]1CC[C@H](O)[C@@H](N2CCN(S(C)(=O)=O)CC2)C1	217968137	HHFMDMLICQBZGL-RDBSUJKOSA-N	304.456	0.893	70	10	DCIE	
N#CCNC(=O)COc1c(F)cc(F)cc1S(=O)(=O)Cl	216103050	RWQNZDXJKFFEPH-UHFFFAOYSA-N	324.692	0.911	70	10	DCIE	
CCn1nncc1C(=O)Nc1ncc(S(=O)(=O)F)s1	1461974965	LFNNPOJUMYPYCB-UHFFFAOYSA-N	305.316	0.665	70	10	DCIE	
C[C@@H](CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCF	1700770781	PKATUOANQOBNOR-QMMMGPOBSA-N	309.338	0.693	70	10	DCIE	
COCC1(CC(=O)Nc2nn(C)cc2S(=O)(=O)F)CC1	1923155486	CIRZOGILLJLHES-UHFFFAOYSA-N	305.331	0.834	70	10	DCIE	
C=CCN(C)CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1568496376	RMCZZROFKSWUDW-UHFFFAOYSA-N	303.359	0.863	70	10	DCIE	
NS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCCNC1)CC2	160028608	RCVTWTGPMSTFQX-LLVKDONJSA-N	309.391	0.223	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1nc2sccn2c1CO	160078011	CYVAWYCOHQOQTC-SNVBAGLBSA-N	310.379	0.229	70	10	DCIE	
CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(OC)nn1)CC2	160702147	OCDXQBVLBUCCAJ-VIFPVBQESA-N	302.338	0.384	70	10	DCIE	
COCCCS(=O)(=O)NCC(=O)N[C@H](C)c1ccc(C)o1	160792686	LEQXEEXKFNDHQG-LLVKDONJSA-N	318.395	0.721	70	10	DCIE	
O=C(NC[C@@H]1[C@H]2CCOC[C@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2150069903	WLVBSROLPCRLAF-OPRDCNLKSA-N	318.782	0.955	70	10	DCIE	
CC1(C(=O)NCC2CN(S(=O)(=O)F)C2)CC(F)(F)C1	1974055888	XKOMVQKYJRPJGA-UHFFFAOYSA-N	300.302	0.684	70	10	DCIE	
CC(C)Cn1ncc(NCCNC[C@@H](C)O)c(Cl)c1=O	160033831	AYCWRNWNYCFPAM-SNVBAGLBSA-N	302.806	0.935	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CC34COCC3(COC4)C2)nc1	2172772831	SMJUUQJTFBZOSI-UHFFFAOYSA-N	300.069	0.384	70	10	DCIE	
COc1nc(N(C)CCn2cncn2)ncc1[B-](F)(F)F	2172769447	XYPIPPBMZAPYIO-UHFFFAOYSA-N	301.061	0.268	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1CC(=O)NC(C)C	2182345127	WHXQWEIVCANZHW-UHFFFAOYSA-N	323.802	0.872	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C(F)(F)[C@@H]1CCOC1	2287075960	PWPXGTLCKKLRAH-HTQZYQBOSA-N	316.301	0.063	70	10	DCIE	
Cn1nccc1CCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	230876314	JMIXZRMVEBHFSB-UHFFFAOYSA-N	319.730	0.695	70	10	DCIE	
CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C[C@](C)(O)CC)C1	160829469	VOTQWHQBTUEHEL-XJKSGUPXSA-N	314.426	0.881	70	10	DCIE	
CN(C)Cc1cc(CNC(=O)C[C@@H]2NC(=O)NC2=O)ccc1F	159634355	YWJIPYJOXJILDD-LBPRGKRZSA-N	322.340	0.102	70	10	DCIE	
CCC[C@H](C(=O)N1CCOC[C@@H]1C(=O)NC1CC1)C(N)=S	159783011	HCORPFFUVBBJBP-WDEREUQCSA-N	313.423	0.195	70	10	DCIE	
CN([C@H]1CCOC1)S(=O)(=O)c1ccc(CC(N)=S)cc1	159445065	WRWWPFSCMBTILJ-NSHDSACASA-N	314.432	0.925	70	10	DCIE	
C[C@H]1CCO[C@@H]1CC(=O)Nc1nn(C)cc1S(=O)(=O)F	2157309877	KJFSLDZKQOYWER-JGVFFNPUSA-N	305.331	0.832	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCO[C@H]([C@H]2CCOC2)C1	2172775572	DOXYZTABXKKWAS-ONGXEEELSA-N	302.085	0.773	70	10	DCIE	
CN1CCN(C(=O)c2cc(S(=O)(=O)Cl)cn2C)[C@@H]2C[C@H]21	2168374674	YDAOHTZFMWTTHV-NXEZZACHSA-N	317.798	0.481	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@]12CCOC[C@@H]1C2	2194442848	GIBNJTONAKKEMT-JOYOIKCWSA-N	306.359	0.208	70	10	DCIE	
C[C@H](Oc1ccc(S(=O)(=O)F)cc1F)C(=O)NC(N)=O	2191434233	IEOHVUWCTLDDKS-YFKPBYRVSA-N	308.262	0.446	70	10	DCIE	
CCn1c([C@@H]2Cc3nncn3C2)nnc1S(=O)(=O)Cl	2111445990	TZHLNOYANSZRBA-ZCFIWIBFSA-N	302.747	0.157	70	10	DCIE	
COc1ccc(S(=O)(=O)NCCS(=O)(=O)Cl)cc1	124131586	OOQUOABSEBYTDU-UHFFFAOYSA-N	313.784	0.542	70	10	DCIE	
CCNC(=O)CCn1cc(S(=O)(=O)Cl)nc1COC	2125953695	MGSBKMJDDVXDDU-UHFFFAOYSA-N	309.775	0.483	70	10	DCIE	
Cc1ccc([C@H](O)CNC(=O)N[C@H]2CCc3ncnn3C2)cc1	161329585	PEQAQOYOVYRTDK-UONOGXRCSA-N	315.377	0.934	70	10	DCIE	
CNC(=O)c1cccc(NC(=O)N[C@H]2CCc3ncnn3C2)c1	161342713	RSOYWZDNZYXTBA-LBPRGKRZSA-N	314.349	0.774	70	10	DCIE	
CNC(=O)C(C)(C)CNC(=O)N1CCC[C@H]1C(=O)NC1CC1	160134308	XPKOLNAEQAZSSO-NSHDSACASA-N	310.398	0.211	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)c1cc(N)c(F)cc1F	159845842	VBNZNFLMEXTDRM-UHFFFAOYSA-N	321.349	0.740	70	10	DCIE	
CN(CCOc1ccc(S(=O)(=O)F)cc1)S(C)(=O)=O	1875874233	KNKHULYTNVYFDP-UHFFFAOYSA-N	311.356	0.615	70	10	DCIE	
COCCn1ncc(N2C[C@@H](C)C[C@@H](N)C2)c(Cl)c1=O	159800669	SISNEYCWAKENGJ-VHSXEESVSA-N	300.790	0.717	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)c2ccns2)C1	2028125772	COJRAMUFSAIVFV-SSDOTTSWSA-N	314.385	0.596	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCOC[C@H]1[C@H]1CCOC1	2172772530	OYBBXLKIJKPLPM-ONGXEEELSA-N	302.085	0.773	70	10	DCIE	
CO[C@H](C(=O)N1CC(CCS(=O)(=O)F)C1)[C@@H]1CCOC1	2199683837	GERXTFNOJJIKSC-MNOVXSKESA-N	309.359	0.186	70	10	DCIE	
CN(C)[C@H]1CC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2101483674	HZHYGOODQNWEGA-WPRPVWTQSA-N	305.787	0.765	70	10	DCIE	
CCn1cc(S(=O)(=O)NCCS(=O)(=O)Cl)nc1C	124150948	SJHLWTHWLDHKGI-UHFFFAOYSA-N	315.804	0.058	70	10	DCIE	
CC(C)NC(=O)Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215921004	UKSSZCQNODSJEL-UHFFFAOYSA-N	310.719	0.243	70	10	DCIE	
CCCCNC(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1	217304869	DGNOSNPXCSXFFD-LBPRGKRZSA-N	305.444	0.547	70	10	DCIE	
O=c1cc[nH]cc1-c1nnc(S(=O)(=O)Cl)n1C1CC1	236027369	GUNXQKIUHBCALR-UHFFFAOYSA-N	300.727	0.896	70	10	DCIE	
CN(CCCN1C(=O)c2ccccc2C1=O)S(=O)(=O)F	1923413235	GCGBQYXAIONIDT-UHFFFAOYSA-N	300.311	0.819	70	10	DCIE	
CC(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1	160063187	PEMRYEFPIWZJIH-NSHDSACASA-N	302.396	0.033	70	10	DCIE	
Cc1csc(=O)n1CC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	160690249	OWMIHONYMOPTHR-GHMZBOCLSA-N	309.391	0.345	70	10	DCIE	
CC(C)(C(=O)N1CCC[C@H](S(=O)(=O)F)C1)S(C)(=O)=O	1968227770	RLJSYQVNRPWSQM-QMMMGPOBSA-N	315.388	0.100	70	10	DCIE	
Cc1cccc(C(=O)NCC2CN(S(=O)(=O)F)C2)c1O	1974059566	NKMJUDNOKLEQMP-UHFFFAOYSA-N	302.327	0.577	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NC[C@H]2COCCO2)c1F	159477101	UOYBBBPJXXAMPS-JTQLQIEISA-N	304.343	0.410	70	10	DCIE	
CN(C[C@@H]1C[C@@H]2OCC[C@@H]2O1)c1ncncc1[B-](F)(F)F	2172777952	JONIYSJUIZFIDI-LSJOCFKGSA-N	302.085	0.914	70	10	DCIE	
CN1CCO[C@@H]2CN(c3ncc(F)cc3[B-](F)(F)F)C[C@@H]21	2188592853	XNCSKTLVYGTVPL-WDEREUQCSA-N	304.076	0.794	70	10	DCIE	
Cc1cc(C(=O)N2CC(CCS(=O)(=O)F)C2)c(C)nn1	2199691949	GOOUOTVYAPEQOQ-UHFFFAOYSA-N	301.343	0.855	70	10	DCIE	
C[C@@H](CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1)C1CC1	2271516560	OABMGKNKHIBMNY-WPRPVWTQSA-N	314.404	0.241	70	10	DCIE	
O=[N+]([O-])c1nn(CCn2ccnc2)cc1S(=O)(=O)Cl	215901982	MGLLIXGJGRVDPJ-UHFFFAOYSA-N	305.703	0.616	70	10	DCIE	
O=C(NCc1ccc(S(=O)(=O)Cl)cc1)[C@H]1COCCO1	108176130	WAAIBEJFKVCMTC-LLVKDONJSA-N	319.766	0.646	70	10	DCIE	
C=CCn1cc(C(=O)Nc2ncc(S(=O)(=O)F)s2)nn1	1587495370	QRKXTXRHDRYMRH-UHFFFAOYSA-N	317.327	0.831	70	10	DCIE	
COC(=O)Cc1ccc(S(=O)(=O)N[C@]2(C)CCOC2)cc1	160046770	OYFZYQWBVDJRJR-CQSZACIVSA-N	313.375	0.859	70	10	DCIE	
O=C1CNC(=O)N1CCN1CC[C@H](CNc2ccccn2)C1	160906516	KOFPKAHMRUQCRD-GFCCVEGCSA-N	303.366	0.367	70	10	DCIE	
CCc1cc(C)c(C(=O)NCC(=O)NCCN2CCOCC2)o1	159903956	JZDSEIKPUYTKJG-UHFFFAOYSA-N	323.393	0.329	70	10	DCIE	
CC[C@@](C)(C(=O)N1CCOC[C@@H]1C(=O)NC(C)C)C(N)=S	159783897	VPCHLBTVHPDRLH-QMTHXVAHSA-N	315.439	0.441	70	10	DCIE	
COCCNCCNc1cnn(CCN(C)C)c(=O)c1Cl	159994750	YVXWWWAARCWKOF-UHFFFAOYSA-N	317.821	0.106	70	10	DCIE	
CC(C)(C)OC(=O)N1CC[C@H]2OCCN(S(=O)(=O)F)[C@@H]2C1	1886614221	JUKKVEULVSWALL-NXEZZACHSA-N	324.374	0.911	70	10	DCIE	
O=C(c1cncc(Br)c1)N1CC(S(=O)(=O)F)C1	1968217639	NCIXKYSHBBBCBE-UHFFFAOYSA-N	323.143	0.968	70	10	DCIE	
COCCn1c([C@H]2C[C@]23CCOC3)nnc1S(=O)(=O)Cl	2156717640	CTUJRRLHRPTWPY-KCJUWKMLSA-N	321.786	0.746	70	10	DCIE	
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CO1	401463443	KKVXQRWIAHWOFX-DTWKUNHWSA-N	323.367	0.801	70	10	DCIE	
Cc1ncnc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)c1[B-](F)(F)F	2172767880	ZRUUPIVDQLJWHW-RKDXNWHRSA-N	320.125	0.463	70	10	DCIE	
Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2088469266	LGKPAMUXWMEGFY-MRVPVSSYSA-N	312.344	0.354	70	10	DCIE	
COc1cc(F)c(S(=O)(=O)Cl)cc1C(=O)NC1COC1	2233969587	KXQDIQACLVPKSY-UHFFFAOYSA-N	323.729	0.890	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CC[C@@H](C(F)(F)F)C1	2284149577	DOBZAIGKGCOZBY-NKWVEPMBSA-N	318.292	0.980	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cnnc(Cl)c1	2273878684	OYROZYQCMXVFDO-SSDOTTSWSA-N	308.722	0.148	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccc(C(F)(F)F)o1	2284149401	AGTCKJXQRJUBEK-UHFFFAOYSA-N	316.232	0.927	70	10	DCIE	
CCc1[nH]nc(C(=O)OC[C@H]2CCN2C)c1S(=O)(=O)Cl	2360511347	UYBOUQGSLYTURI-SSDOTTSWSA-N	321.786	0.761	70	10	DCIE	
C[C@@H]1COC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	699814803	UALIHBYSNLWNAS-APPZFPTMSA-N	306.771	0.717	70	10	DCIE	
CO[C@@H](C)CCS(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2134974370	DSMGZUVIOMPJHH-VIFPVBQESA-N	317.404	0.362	70	10	DCIE	
CN(C)CC(C)(C)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923176105	VNSOCUXGIDUZOM-UHFFFAOYSA-N	306.363	0.027	70	10	DCIE	
C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N(C)CC#N	1485353468	UMCLOVKTPQPLRU-QMMMGPOBSA-N	302.331	0.247	70	10	DCIE	
CS(=O)(=O)CCNCCOc1ncn(-c2ccccc2)n1	161354751	UIAMWGDCIFUEKI-UHFFFAOYSA-N	310.379	0.280	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)[C@@H](C(N)=S)C(C)C	159779352	OOOSZPBNJXAFKX-GHMZBOCLSA-N	315.439	0.298	70	10	DCIE	
COCCn1c(-c2cc[nH]c(=O)c2)nnc1S(=O)(=O)Cl	234672847	CGOFEBBJQNWNGW-UHFFFAOYSA-N	318.742	0.207	70	10	DCIE	
C[C@@](F)(C(=O)NCC1CN(S(=O)(=O)F)C1)C(F)(F)F	1876588703	ZJAVJWWKDIVAMF-SSDOTTSWSA-N	310.244	0.539	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1CC(N2CCOCC2)C1	2172778407	PCAVVHXNRIVHGY-UHFFFAOYSA-N	300.113	0.965	70	10	DCIE	
C[C@H]1C[C@@H](CC(=O)NC2CCN(S(=O)(=O)F)CC2)CO1	2169027547	YCRWIWIYFGKUQH-UWVGGRQHSA-N	308.375	0.596	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@]23CCOC[C@H]2C3)c1S(=O)(=O)Cl	2194418607	BHMOHRMLFRTKME-HQJQHLMTSA-N	319.770	0.554	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@]12CCOC[C@H]1C2	2194503672	HCSZWZHBIBVTJR-RDDDGLTNSA-N	320.754	0.303	70	10	DCIE	
O=C(NCC12CC(CO1)C2)c1cc(S(=O)(=O)Cl)c[nH]1	2089139961	RIDOEVFLKZWPNX-UHFFFAOYSA-N	304.755	0.851	70	10	DCIE	
O=S(=O)(N1CCC([B-](F)(F)F)CC1)N1CC[C@H](O)C1	2223252063	ZPBDERPNVKIYKN-VIFPVBQESA-N	301.119	0.611	70	10	DCIE	
COC[C@]12CN(c3ncc([B-](F)(F)F)cn3)C[C@@H]1CCO2	2239825275	TWAOTIXXHZZLJS-JOYOIKCWSA-N	302.085	0.773	70	10	DCIE	
COCCn1c([C@H]2C[C@@]2(C)COC)nnc1S(=O)(=O)Cl	2284710193	NRSIKPWEFGKYOX-KCJUWKMLSA-N	323.802	0.992	70	10	DCIE	
CO[C@@H]1CCC[C@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	115799928	UEUOTYZSJKERCL-HTQZYQBOSA-N	321.786	0.943	70	10	DCIE	
CCOC(=O)[C@H](C[C@H](CO)NC(=O)OC(C)(C)C)OCOC	217832145	DFUAIQRNADJQDV-MNOVXSKESA-N	321.370	0.814	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)c2ccccc2F)C1	2134976247	IDCPKKGFJIRLRX-UHFFFAOYSA-N	311.331	0.746	70	10	DCIE	
CCCc1[nH]nc(C(=O)N(C)C2COC2)c1S(=O)(=O)Cl	1915685818	VZQQAJBQNHCCRS-UHFFFAOYSA-N	321.786	0.761	70	10	DCIE	
O=S1(=O)CC[C@H](COCc2ccc([B-](F)(F)F)cc2)N1	2136015009	PEHDIVHKKJBDGG-LLVKDONJSA-N	308.110	0.949	70	10	DCIE	
COC[C@H](O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1	161122074	QCPWXSJYSFHJAT-UKRRQHHQSA-N	320.389	0.862	70	10	DCIE	
O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC1(CO)CC1	160232917	BFTOPGMXSWCYGI-UHFFFAOYSA-N	307.741	0.635	70	10	DCIE	
CCCCOCCOC[C@@H](O)CNCC(=O)NC(C)(C)C	159889381	LXHUHWLZZVVCNW-ZDUSSCGKSA-N	304.431	0.685	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)NCc2ccccc2CO)C[C@@H](C)O1	159748559	QAFIVPNNWBFJNB-VXGBXAGGSA-N	314.407	0.623	70	10	DCIE	
O=C(C1CC2(CSC2)C1)N1CCN(S(=O)(=O)F)CC1	1974014306	HGDQTMMKIDYCJA-UHFFFAOYSA-N	308.400	0.488	70	10	DCIE	
Cc1cc2c(cc1S(=O)(=O)Cl)c(=O)n(C)c(=O)n2C	258017947	NWILGCKYOUABHO-UHFFFAOYSA-N	302.739	0.473	70	10	DCIE	
CS(=O)(=O)N1CCN(c2cc(Cl)ccc2CO)CC1	161504096	KDOMIFBQFGUGOC-UHFFFAOYSA-N	304.799	0.914	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]32)cc1	2171916776	IURSPFUVAJWTSI-WDEREUQCSA-N	321.351	0.507	70	10	DCIE	
O=C(N1CC(CS(=O)(=O)F)C1)C12CCCN(CCC1)C2	2199683221	VUDKDRGULNDPEV-UHFFFAOYSA-N	304.387	0.620	70	10	DCIE	
CCCc1[nH]nc(C(=O)NC2COC2)c1S(=O)(=O)Cl	2109037958	DFLAKMQGBXOYNS-UHFFFAOYSA-N	307.759	0.418	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)F)CC2(CN(C(=O)OC(C)(C)C)C2)O1	2242121460	BIYSYIAZRMLQJX-SECBINFHSA-N	324.374	0.911	70	10	DCIE	
CC1(C)C[C@@H](C(=O)NC2CN(S(=O)(=O)F)C2)C(C)(C)O1	2284150451	JWORNRLLSVCYPQ-VIFPVBQESA-N	308.375	0.595	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1C(F)(F)C12CCCC2	2284150297	IUOYGZYOPXWUIN-QMMMGPOBSA-N	312.313	0.827	70	10	DCIE	
N#CCNC(=O)COc1ccc(F)cc1S(=O)(=O)Cl	215622447	NZZKCQGNIBMJTJ-UHFFFAOYSA-N	306.702	0.772	70	10	DCIE	
CCNC[C@H]1CCCN(S(=O)(=O)NCCCN(C)C)C1	217469972	IGUUOPVJRBLVRF-CYBMUJFWSA-N	306.476	0.094	70	10	DCIE	
COCC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1528214852	NOODTDMIYNYJAH-QMMMGPOBSA-N	308.331	0.454	70	10	DCIE	
CCc1cc(S(=O)(=O)Cl)n(CCS(=O)(=O)CC)n1	203512819	VYVMEANQYANTIG-UHFFFAOYSA-N	314.816	0.808	70	10	DCIE	
C=CCNC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1569320125	MCBXRWHZLQAGQV-LBPRGKRZSA-N	315.370	0.957	70	10	DCIE	
CNS(=O)(=O)CC(=O)Nc1ccccc1-n1ccc(C)n1	161373097	URSVAGKXRGXTNT-UHFFFAOYSA-N	308.363	0.668	70	10	DCIE	
O=C(CNC(=O)c1cccnc1)NC[C@@H](O)C1CCCCC1	160246858	LWQYMCGDELYHTK-CQSZACIVSA-N	305.378	0.869	70	10	DCIE	
CCN(c1cnn(CCO)c(=O)c1Cl)[C@@H]1CCC[C@@H]1CN	159673368	ACBMYMTXFLGCBZ-GHMZBOCLSA-N	314.817	0.843	70	10	DCIE	
CO[C@]1(C(=O)N2CCC(S(=O)(=O)F)CC2)CCCOC1	1972665320	UYCJXEJXYKLRIY-GFCCVEGCSA-N	309.359	0.472	70	10	DCIE	
O=[N+]([O-])c1ccc(OCc2nn[nH]n2)c(S(=O)(=O)Cl)c1	383998338	KLKRSERMMAWGMQ-UHFFFAOYSA-N	319.686	0.614	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C[C@@]2(C)C(F)F)[nH]1	2177452935	VXSSWLRORVMQKQ-GPXNAGAYSA-N	311.285	0.730	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC(=O)NC(C)(C)C	2182343852	PDISOAXTTXXVNH-UHFFFAOYSA-N	323.802	0.872	70	10	DCIE	
Cc1c(-c2nnc(S(=O)(=O)Cl)n2C2CC2)nnn1C	2088347852	SMNMNIZMKCWJFU-UHFFFAOYSA-N	302.747	0.644	70	10	DCIE	
O=C(NC[C@]1(F)CCOC1)c1cc(S(=O)(=O)Cl)c[nH]1	2229945456	NAHCHZHFFQXPCR-SNVBAGLBSA-N	310.734	0.801	70	10	DCIE	
N#Cc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)cc1F	2286460259	FHIXFNNYSXRLCA-UHFFFAOYSA-N	301.274	0.326	70	10	DCIE	
COc1nc(-n2cc(S(C)(=O)=O)cn2)ncc1[B-](F)(F)F	2289184126	WSBHWYVOFAASHA-UHFFFAOYSA-N	321.069	0.129	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@@H]2C=C[C@H]1CC2	2359646949	HFLAUEHYSUAYMT-WRWGMCAJSA-N	302.371	0.994	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1[C@H]1CCCNC1=O	691842171	QMCTVVVQHVODIL-LURJTMIESA-N	322.730	0.478	70	10	DCIE	
CC(C)[C@H](C#N)CS(=O)(=O)N1CC(CS(=O)(=O)F)C1	2134974258	CIVJZQPALSIRKG-SNVBAGLBSA-N	312.388	0.343	70	10	DCIE	
O=C(c1sccc1-n1cnnn1)N1C[C@@H]2CCC[C@H](C1)N2	160023339	IPNGMMHMAPMECH-AOOOYVTPSA-N	304.379	0.690	70	10	DCIE	
COC(=O)c1ccc(S(=O)(=O)NCC(C)(C)CO)c(N)c1	160042958	XVJGGNAKBMADBT-UHFFFAOYSA-N	316.379	0.352	70	10	DCIE	
CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@H]1C(=O)NC	159715591	KEPIVNCWMODPOL-MNOVXSKESA-N	320.397	0.595	70	10	DCIE	
NC(=S)CNC(=O)C(=O)NCc1cccc2cccnc12	159382526	JXISJTCGELOWQZ-UHFFFAOYSA-N	302.359	0.253	70	10	DCIE	
C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(S(=O)(=O)F)C1	1883852200	VWDWWGQEFCJOCT-ZETCQYMHSA-N	310.347	0.410	70	10	DCIE	
COCc1nc(C(=O)N2CC(CS(=O)(=O)F)C2)cs1	1968226469	CHQRYNDFSZGZHA-UHFFFAOYSA-N	308.356	0.661	70	10	DCIE	
COc1cccc(CC(=O)N2CC(CS(=O)(=O)F)C2)c1	1968216276	VTLVMKXDOWFQMQ-UHFFFAOYSA-N	301.339	0.995	70	10	DCIE	
CSCCN1CCN(CCCS(=O)(=O)Cl)CC1	2004396108	JEYWPCFFJQXZLU-UHFFFAOYSA-N	300.877	0.926	70	10	DCIE	
COC[C@@H](N)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1	159441903	UHOUIDGSFGLDPX-JOYOIKCWSA-N	300.380	0.241	70	10	DCIE	
CN(CC1[C@H]2CS(=O)(=O)C[C@H]12)c1ccncc1[B-](F)(F)F	2174648303	LQXYHCGQWAWWSM-NXEZZACHSA-N	319.137	0.863	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccc2sncc2c1	2284142269	NNIHKYVRHXGIAG-UHFFFAOYSA-N	315.351	0.925	70	10	DCIE	
COC(=O)[C@@H](CC(C)C)NCC(=O)N1C[C@H](C)O[C@H](C)C1	217664095	CNUIAFWEBQPTEO-FRRDWIJNSA-N	300.399	0.800	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1[C@@H](C)C(=O)NC(N)=O	215819529	LOMLLCZXPKLANQ-LURJTMIESA-N	322.774	0.519	70	10	DCIE	
COC(=O)C1(C(=O)Nc2ncc(S(=O)(=O)F)s2)CC1	1132039392	SILMOCKSCBLPTC-UHFFFAOYSA-N	308.312	0.693	70	10	DCIE	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1ncncc1[B-](F)(F)F	2116146633	UQYNHTDSENJHDY-YUMQZZPRSA-N	310.130	0.789	70	10	DCIE	
Cc1oc(C(=O)N[C@H]2[C@H]3COC[C@H]32)cc1S(=O)(=O)Cl	2118018975	YROYDURYDPRMHJ-LYIWLLOFSA-N	305.739	0.890	70	10	DCIE	
Cc1cc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)cnc1Cl	160069059	RDDDDHORQCLYQY-VIFPVBQESA-N	317.798	0.943	70	10	DCIE	
O[C@@H](C[C@@H]1COCCN1Cc1nnnn1C1CC1)c1ccco1	159652122	NEIDNJBBGUXYIQ-OLZOCXBDSA-N	319.365	0.926	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C12CCC(F)(CC1)C2	1974055977	YTIZNKNCYHZDPF-UHFFFAOYSA-N	308.350	0.921	70	10	DCIE	
C[C@H]1CCO[C@H]1CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2157351291	XXIAYJCCNDFGAG-YUMQZZPRSA-N	322.770	0.692	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)[C@H]2CO[C@@H](C)C2)c1S(=O)(=O)Cl	401384402	JJDRIAWYKFZJHI-POYBYMJQSA-N	321.786	0.895	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@@]12COC[C@@H]1C2	689330235	RKCNZLCHIRTKGW-UFBFGSQYSA-N	318.782	0.719	70	10	DCIE	
Cc1oc(C(=O)NC2COCCOC2)cc1S(=O)(=O)Cl	380782405	SNYIXKOFSXZDIM-UHFFFAOYSA-N	323.754	0.661	70	10	DCIE	
Cc1nc(N2C[C@@H]3OCCN(C)[C@@H]3C2)ccc1[B-](F)(F)F	2172786744	VVRVCXVWKLBHIJ-NEPJUHHUSA-N	300.113	0.964	70	10	DCIE	
O=c1nc(COc2c(F)cc(S(=O)(=O)F)cc2F)[nH]o1	2191428367	MXPUCBQLATUFAW-UHFFFAOYSA-N	310.209	0.878	70	10	DCIE	
Cc1ccc(S(=O)(=O)NCC2CN(S(=O)(=O)F)C2)o1	2108160139	ZWIVGFLXYAZBOA-UHFFFAOYSA-N	312.344	0.012	70	10	DCIE	
O=C([C@@H]1OCC[C@@H]1C(F)(F)F)N1CC(CS(=O)(=O)F)C1	2240546719	JLNWVDORTDMUCF-JGVFFNPUSA-N	319.276	0.712	70	10	DCIE	
COc1cnccc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287069507	BPBBUBNQJXAIQL-MRVPVSSYSA-N	303.315	0.109	70	10	DCIE	
CC1(C)C[C@H](CC(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CO1	2287079879	OKAQOSIPCWBGIM-VHSXEESVSA-N	308.375	0.596	70	10	DCIE	
Cn1ncc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)n1	302681863	QFLKSHMPOHHUBQ-UHFFFAOYSA-N	300.727	0.995	70	10	DCIE	
COC12CC(C1)N(C(=O)c1cc(S(=O)(=O)Cl)c[nH]1)C2	2129031301	OTLZMXJSDMSWRQ-UHFFFAOYSA-N	304.755	0.946	70	10	DCIE	
CCOCCNCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1714760337	RSDZEXSEHQPTRD-UHFFFAOYSA-N	321.374	0.371	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NCCNC(=O)N(C)C)c1F	160689827	KOVKKAPFMNALGR-UHFFFAOYSA-N	318.374	0.266	70	10	DCIE	
CNC(=O)COc1cccc(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1	160967271	JDIDWUMLYCHLSY-CHWSQXEVSA-N	320.389	0.990	70	10	DCIE	
CCCC(=O)NCC(=O)N[C@@H]1CCCn2nc(COC)nc21	159994861	KWIGLEOFWWFIRR-SNVBAGLBSA-N	309.370	0.292	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1C(=O)c1nc(Cl)ccc1Cl	159507170	IIDHUVCNKPSKPP-QMMMGPOBSA-N	318.160	0.975	70	10	DCIE	
CNC[C@H](C)CNc1cnn(CC(=O)OC)c(=O)c1Cl	159872338	NWVCVUWJCUEQIU-QMMMGPOBSA-N	302.762	0.337	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1[C@H]1CCN(C)C1=O	2182342765	COMZPZYIXLNQSR-QMMMGPOBSA-N	321.786	0.750	70	10	DCIE	
CN(C)[C@@H]1CC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2101483673	HZHYGOODQNWEGA-WCBMZHEXSA-N	305.787	0.765	70	10	DCIE	
CO[C@@H](C)[C@@H](C)NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2105039046	WGZXQGUFVXHNQZ-VDTYLAMSSA-N	309.775	0.799	70	10	DCIE	
Cc1ncc([B-](F)(F)F)cc1OC[C@@H]1CCS(=O)(=O)N1C	2279934081	NRYAQFHGTLXPQJ-JTQLQIEISA-N	323.125	0.857	70	10	DCIE	
Nc1cc(F)ccc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287064377	AMCLZDUSRZGIJG-QMMMGPOBSA-N	305.306	0.426	70	10	DCIE	
CC(C)N1C[C@H](NC(=O)NCc2cccc(CN)c2)CC1=O	217288355	ZWRYWCRBGRGMQI-CQSZACIVSA-N	304.394	0.954	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@H](C)N(C)C	2121109737	IVFQLZOOOZRZIU-LURJTMIESA-N	310.763	0.977	70	10	DCIE	
CCCNC(=O)[C@H](C)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215917146	WKCFBMMLXGTMJK-LURJTMIESA-N	324.746	0.806	70	10	DCIE	
CC1CCN(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)CC1	7459644	KDQOBRWVKIASKI-MNOVXSKESA-N	308.831	0.239	70	10	DCIE	
Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](S(=O)(=O)F)C1	1968236126	SLDWYFWTRWKQIZ-JTQLQIEISA-N	303.359	0.480	70	10	DCIE	
O=C([C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@@H]21)N1CCC[C@@H](S(=O)(=O)F)C1	2144733075	MGGFQYAQFZERLA-ZKSVUJDCSA-N	303.355	0.700	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NCC(=O)NC(C)C)c1F	159469091	VCJLFJLOMPJPOA-UHFFFAOYSA-N	303.359	0.519	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2191168720	XNZXHKKKZRKABH-HMXNZXLOSA-N	316.766	0.778	70	10	DCIE	
C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1CCCS(=O)(=O)Cl	2253682111	ZPQZJBMTHRVVGM-NXEZZACHSA-N	317.860	0.843	70	10	DCIE	
O=C(CC1CC(C(F)F)C1)NC1CN(S(=O)(=O)F)C1	2268804434	RCBYRITVDLYXGG-UHFFFAOYSA-N	300.302	0.683	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ncc([B-](F)(F)F)cc3F)C[C@H]21	2336508293	LQRDOEHESRAJRR-IMTBSYHQSA-N	309.073	0.508	70	10	DCIE	
NC(=S)c1ccccc1OC[C@H](O)CN1CCC[C@@H](O)C1	218448120	MXCUUGYWLIQCHQ-VXGBXAGGSA-N	310.419	0.517	70	10	DCIE	
CCc1ccccc1OCNC(=O)NCCN1CCNCC1	217309932	XHHOVVNBLWUIPX-UHFFFAOYSA-N	306.410	0.790	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CC(=O)N1	2125954774	YTRKNAFECRDBRV-SSDOTTSWSA-N	307.759	0.236	70	10	DCIE	
Cc1cc(O[C@@H](C)C(=O)NC(N)=O)ccc1S(=O)(=O)Cl	215984260	DZWGCSPRXLCITO-ZETCQYMHSA-N	320.754	0.885	70	10	DCIE	
Cc1[nH]nc(CO)c1S(=O)(=O)NCC(C)(C)CN(C)C	217297533	YTPLEQFNPMHJKY-UHFFFAOYSA-N	304.416	0.077	70	10	DCIE	
CCNc1snnc1CN1CCOC[C@@H]1C(=O)NC(C)C	160396221	YNUHFHAOXKYPLU-LLVKDONJSA-N	313.427	0.695	70	10	DCIE	
CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C[C@@](C)(O)CC)C1	160829337	VOTQWHQBTUEHEL-BBRMVZONSA-N	314.426	0.881	70	10	DCIE	
C#C[C@@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1	166839426	KOAPQPSWQUJUQF-MRVPVSSYSA-N	307.780	0.914	70	10	DCIE	
COC(=O)Cn1ncc(NC2(CN)CCCC2)c(Cl)c1=O	159475163	VWTNFRCFDWPUAP-UHFFFAOYSA-N	314.773	0.753	70	10	DCIE	
CCn1nc(C)c(C(=O)N2CC(CS(=O)(=O)F)C2)c1C	1968227127	KUGXZVUWAHSKEI-UHFFFAOYSA-N	303.359	0.891	70	10	DCIE	
CCC(CC)(C(=O)N1CCOC[C@@H]1C(=O)NC)C(N)=S	159775419	RNDXDYCYVVYDHJ-SECBINFHSA-N	301.412	0.052	70	10	DCIE	
CCc1[nH]nc(C(=O)N2CCO[C@H]3C[C@H]32)c1S(=O)(=O)Cl	2171920839	LBLXABUMHOTLLC-SFYZADRCSA-N	319.770	0.513	70	10	DCIE	
COc1nc(N2CC[C@@H](CN(C)C)C2)ncc1[B-](F)(F)F	2172770940	RXMUZMWLUWPGRB-VIFPVBQESA-N	303.117	0.928	70	10	DCIE	
O=C(C1CC2(C1)CC21CC1)N1CCN(S(=O)(=O)F)CC1	2184064565	UZHFACJWEHNLAS-UHFFFAOYSA-N	302.371	0.925	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CCCOCC1CC1	2184734890	ZALDPXSLKDETFC-UHFFFAOYSA-N	322.770	0.693	70	10	DCIE	
Cc1[nH]nc(C(=O)NCCC2COC2)c1S(=O)(=O)Cl	2111198800	LXCLMLIKFJXWOW-UHFFFAOYSA-N	307.759	0.412	70	10	DCIE	
Cc1cccc(O)c1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287062211	CVNQPWFVWNCYEH-VIFPVBQESA-N	302.327	0.719	70	10	DCIE	
COC(C)(C)CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	161474008	YZLYJCRRLOSBDG-UHFFFAOYSA-N	309.775	0.800	70	10	DCIE	
CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	159559095	FUPQSUULZFPBLL-MNOVXSKESA-N	310.398	0.306	70	10	DCIE	
CO[C@]1(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)CCCOC1	1973214892	NPFCZHLGXVZPTF-ZYHUDNBSSA-N	309.359	0.472	70	10	DCIE	
O=C(Cc1ccc(F)cc1)N1CCN(S(=O)(=O)F)CC1	1974001665	YHFIWPYJWUDSBP-UHFFFAOYSA-N	304.318	0.727	70	10	DCIE	
CC(C)C[C@H](NS(C)(=O)=O)C(=O)N1CCC(C)(O)CC1	161301700	LFUSQHNVEGXPEL-NSHDSACASA-N	306.428	0.324	70	10	DCIE	
CC(C)OCCS(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2028128344	KDZJIPTZKSFBGB-SECBINFHSA-N	303.377	0.115	70	10	DCIE	
C[C@@H](CCCN1CCS(=O)(=O)[C@@H](C)C1)S(=O)(=O)Cl	2037945439	OHKLPZDKRCWRKE-UWVGGRQHSA-N	317.860	0.843	70	10	DCIE	
O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC(S(=O)(=O)F)C1	2199682451	JVNQTLDOMFSTEN-UHFFFAOYSA-N	306.246	0.858	70	10	DCIE	
O=C1CNC(=O)N1CCOc1ccc(S(=O)(=O)F)cc1	2191430415	JCOYLYFVPNQVGE-UHFFFAOYSA-N	302.283	0.275	70	10	DCIE	
CC[C@@]12CC[C@@](C(=O)NC3CN(S(=O)(=O)F)C3)(CO1)C2	2284120021	QTUYSDDIKIEDEX-RYUDHWBXSA-N	306.359	0.350	70	10	DCIE	
O=C(CN1CCc2ccccc2C1)N1CC[C@@H](CO)[C@H](O)C1	216878195	WLVPYNIJYHLFBA-JKSUJKDBSA-N	304.390	0.246	70	10	DCIE	
O=C1C[C@H](NC(=O)N2CCNCC2)CN1Cc1ccccc1	217286377	NBMYZMWICJSUQJ-AWEZNQCLSA-N	302.378	0.402	70	10	DCIE	
CCCn1c(CS(C)(=O)=O)nnc1S(=O)(=O)Cl	227588223	MJZZIQZFRMEDGZ-UHFFFAOYSA-N	301.777	0.160	70	10	DCIE	
CN(C)CCN1CCN(c2nc([B-](F)(F)F)cs2)CC1	2116126518	HHACZSMLKWQSJH-UHFFFAOYSA-N	307.174	0.881	70	10	DCIE	
CCC[C@@H]1CC[C@H](N)[C@@H](N2CCN(S(C)(=O)=O)CC2)C1	217962753	BJURIAVRPMVMEI-RDBSUJKOSA-N	303.472	0.860	70	10	DCIE	
COCCN[C@@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1731735097	DOQLWMPGAKHIPB-VIFPVBQESA-N	321.374	0.417	70	10	DCIE	
C#CCNC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1670523083	RRMLIDRSQOAYCD-LBPRGKRZSA-N	313.354	0.404	70	10	DCIE	
O=C(N[C@@H]1CCc2ncnn2C1)N[C@@H]1c2ccccc2C[C@@H]1O	161080635	CWXJYVHEHHLFDQ-OSAQELSMSA-N	313.361	0.550	70	10	DCIE	
NC(=O)c1c(F)cccc1Oc1ccc(S(N)(=O)=O)cn1	160170296	XRQRTTCIGCYEQB-UHFFFAOYSA-N	311.294	0.759	70	10	DCIE	
CO[C@@H](C(=O)N1CC(CS(=O)(=O)F)C1)[C@H]1CCCOC1	1968226771	GERZRTOCVSGISS-WDEREUQCSA-N	309.359	0.186	70	10	DCIE	
O=C(Cc1ccccc1F)NCC1CN(S(=O)(=O)F)C1	1974057827	AROTURWNRYMETI-UHFFFAOYSA-N	304.318	0.631	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C[C@@H]2C[C@@H]2CO1	1974395007	SQZIYCCOELTSSK-NGZCFLSTSA-N	306.359	0.206	70	10	DCIE	
O=S(=O)(Cl)CCCCN1C[C@H]2CS(=O)(=O)C[C@@H]2C1	2027584095	CFPAETUOFHZSON-UWVGGRQHSA-N	315.844	0.312	70	10	DCIE	
COCC(COC)NC(=O)c1cc(S(=O)(=O)Cl)cn1C	388497690	DTYMTILDPBQYRC-UHFFFAOYSA-N	324.786	0.344	70	10	DCIE	
C[C@@H]1C[C@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CCO1	2182914304	WMDSTUPISVUUMA-HTQZYQBOSA-N	305.331	0.254	70	10	DCIE	
CC[C@@H](Oc1ccc(C(=O)O)cc1S(=O)(=O)F)C(N)=O	2191424074	NTWZOBZEJOWORB-SSDOTTSWSA-N	305.283	0.686	70	10	DCIE	
CC12CCC(C(=O)NC3CN(S(=O)(=O)F)C3)(CC1)CO2	2284142216	MQGVWHWHAMSOTQ-UHFFFAOYSA-N	306.359	0.350	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC1CCOCC1	115016435	PJDJEHLXCWHOLD-UHFFFAOYSA-N	306.771	0.861	70	10	DCIE	
COc1ccccc1OCNC(=O)N1CCC(C(N)=O)CC1	217308987	YPNOLUCVXARMPL-UHFFFAOYSA-N	307.350	0.938	70	10	DCIE	
COCCOCCOCCOC[C@@H](C)CS(=O)(=O)Cl	127465846	SLMHKQPCURVIMX-LLVKDONJSA-N	318.819	0.887	70	10	DCIE	
COC[C@H](C)S(=O)(=O)N(C)CC1CCN(C[C@H](C)O)CC1	161448238	GRTMYXJHSBNOBS-STQMWFEESA-N	322.471	0.376	70	10	DCIE	
NC(=O)NC(=O)CCN1CCCC[C@H]1c1nnc2n1CCCC2	160659091	SYHZKXGJJNGIKK-NSHDSACASA-N	320.397	0.726	70	10	DCIE	
O=C(c1cn2c(n1)CCCC2)N1CC[C@@H](S(=O)(=O)F)C1	1968236482	WSIZPCNWVOQVIC-SECBINFHSA-N	301.343	0.733	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N(C)CCS(C)(=O)=O)c1F	159549261	NQKUCANOTZIDOU-UHFFFAOYSA-N	324.399	0.381	70	10	DCIE	
CO[C@@]1(CNc2ccc(S(N)(=O)=O)cc2F)CCOC1	160642866	UAYCOYCSFABNGN-GFCCVEGCSA-N	304.343	0.691	70	10	DCIE	
CO[C@H](Cn1cc(S(=O)(=O)Cl)c(O)nc1=O)C(C)C	312028013	MUMWTPCZELVZLK-SSDOTTSWSA-N	310.759	0.547	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)c1S(=O)(=O)Cl	384652632	CFUAAQAYVQKGED-UIISKDMLSA-N	321.786	0.941	70	10	DCIE	
CO[C@@H]1CC[C@@H]1CC(=O)NC1CCN(S(=O)(=O)F)CC1	2186907433	LGVSSGLUBSTWGP-MWLCHTKSSA-N	308.375	0.596	70	10	DCIE	
CC(C)(C)CCS(=O)(=O)N1CC(CS(=O)(=O)F)C1	2078990944	QLKVPQRBTZCPFX-UHFFFAOYSA-N	301.405	0.984	70	10	DCIE	
CC1(C)OCCC[C@H]1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287065730	PWNSHNNVVUVVGM-ZJUUUORDSA-N	308.375	0.596	70	10	DCIE	
O=C(C[C@@H]1C[C@@H]1C(F)(F)F)NC1CN(S(=O)(=O)F)C1	2268795880	JIQCAUSUQNGCIA-FSPLSTOPSA-N	304.265	0.590	70	10	DCIE	
CCn1cc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c(C)n1	2287074435	FMAGKBRVZVRLFE-VIFPVBQESA-N	304.347	0.230	70	10	DCIE	
CCOC(=O)N(CCN)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	217286305	FWJOKVLVSHGJNB-JTQLQIEISA-N	314.386	0.513	70	10	DCIE	
O=S(=O)(F)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1	1954487342	YOOCDVWEFVCTFW-STQMWFEESA-N	300.355	0.786	70	10	DCIE	
CS(=O)(=O)[C@H]1CSCCN1CCCS(=O)(=O)Cl	156761076	QEAAGEKOPOEZKR-QMMMGPOBSA-N	321.873	0.365	70	10	DCIE	
Cn1nc(O)cc1-c1nnc(S(=O)(=O)Cl)n1C1CC1	1913089422	XRKUKMXAUBJDCD-UHFFFAOYSA-N	303.731	0.647	70	10	DCIE	
Cc1cccc(Cn2cc(S(=O)(=O)Cl)c(=O)[nH]c2=O)n1	215901625	VLVOTADLOJDPOI-UHFFFAOYSA-N	315.738	0.216	70	10	DCIE	
CN[C@@H](c1c(Cl)cnn1CCOC)[C@@H]1CN(C)CCN1C	161201026	CVKGIJLZIPXMNC-QWHCGFSZSA-N	315.849	0.689	70	10	DCIE	
CSCCS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2005796409	XDVIMXSGNXJHPT-MRVPVSSYSA-N	305.418	0.443	70	10	DCIE	
CO[C@H]1C[C@H](C(=O)N2CC[C@@H](S(=O)(=O)F)C2)C[C@H]1OC	1973295764	ALFNRVXFDMXQIF-DBIOUOCHSA-N	309.359	0.327	70	10	DCIE	
Cc1cc(C(=O)NC2CCN(S(=O)(=O)F)CC2)sn1	1974394272	GNKANSDOTYVTDD-UHFFFAOYSA-N	307.372	0.860	70	10	DCIE	
NC[C@@H]1CCCC[C@H]1Nc1cnn(CCO)c(=O)c1Cl	159663595	JSOBJDPWDAVATL-VHSXEESVSA-N	300.790	0.818	70	10	DCIE	
COc1cnn(CCN(C)C)c1[C@@H](N)[C@@H]1CSCCO1	161324328	NICWBGDUNYHMQF-RYUDHWBXSA-N	300.428	0.585	70	10	DCIE	
COc1nn(Cc2nccn2C)c(OC)c1S(=O)(=O)Cl	2149827448	PECNAGJQZNJYHA-UHFFFAOYSA-N	320.758	0.610	70	10	DCIE	
COc1nc(N2CCS(=O)(=O)[C@H](C)C2)ncc1[B-](F)(F)F	2172771250	XCIBQMIKCMTCDT-SSDOTTSWSA-N	324.113	0.163	70	10	DCIE	
C[C@@H]1CO[C@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1	2110069894	LDUQJIRGYREGSM-BQBZGAKWSA-N	308.743	0.301	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC1[C@@H]2CCC[C@@H]12	2093682969	BASGSGKLDFCXMI-RNFRBKRXSA-N	304.755	0.923	70	10	DCIE	
CC(C)c1nc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)co1	2287073302	TVXGGDNYLMJMHW-MRVPVSSYSA-N	305.331	0.816	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1C[C@@H]2[C@@H](C1)C2(F)F	2164434125	CEDAHNSNDPRQBZ-RKDXNWHRSA-N	312.313	0.540	70	10	DCIE	
CN[C@@H](CCN(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cn1	161242060	ZXDSZIJRHSKSDH-OLZOCXBDSA-N	315.414	0.990	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)NCCn1cc(C)cn1	160673457	MMXIKHZEJJIORZ-UHFFFAOYSA-N	305.338	0.805	70	10	DCIE	
Cc1oc(C(=O)N[C@@H]2COC[C@H]2F)cc1S(=O)(=O)Cl	1876000496	RZCFFRNSRNZKLO-RNFRBKRXSA-N	311.718	0.982	70	10	DCIE	
NC(=O)CSCCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	160477366	JAZMJMAYGJHFJR-FZMZJTMJSA-N	300.424	0.749	70	10	DCIE	
Cc1[nH]nc(C(=O)N2C[C@@H]3CCO[C@@H]3C2)c1S(=O)(=O)Cl	2172083275	PIAOUZISYYZKHL-JGVFFNPUSA-N	319.770	0.507	70	10	DCIE	
CN([C@H]1CCN(c2ncncc2[B-](F)(F)F)C1)S(C)(=O)=O	2172771664	CSMAWRULRYUPBU-QMMMGPOBSA-N	323.129	0.001	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCO[C@H]([C@H]2CCCO2)C1	2172775515	CYGNXXVDBCGBLO-MNOVXSKESA-N	302.085	0.915	70	10	DCIE	
CS(=O)(=O)CC1CCN(c2ncc([B-](F)(F)F)cn2)CC1	2172772479	OGRIBPHIIBBTIP-UHFFFAOYSA-N	322.141	0.792	70	10	DCIE	
CO[C@H]1CC[C@@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)C1	2174880831	MYODATBHBYWEDK-SFYZADRCSA-N	305.331	0.254	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1CCOC[C@H]1CF	2182570669	VHSULTUCNLYKGV-MRVPVSSYSA-N	324.761	0.763	70	10	DCIE	
CCc1ncc(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)[nH]1	2088469151	JZYAUUILVJGQMR-ZETCQYMHSA-N	311.360	0.034	70	10	DCIE	
Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287077372	WGNXZVAHXZHDNA-SECBINFHSA-N	304.347	0.055	70	10	DCIE	
Cc1ccc(S(=O)(=O)NC[C@@H](O)Cn2ccccc2=O)cc1	218462225	RVAXLYGYKHVZCR-CYBMUJFWSA-N	322.386	0.496	70	10	DCIE	
O[C@@H]1CN(c2nc(-c3ccccc3)no2)C[C@H]1N1CCOCC1	217068590	MTHOQBXVTGEUPR-ZIAGYGMSSA-N	316.361	0.618	70	10	DCIE	
O=S1(=O)CC[C@H]2CN(c3ncncc3[B-](F)(F)F)C[C@H]21	2116150075	LLAPYPRQVLRBDA-IONNQARKSA-N	306.098	0.154	70	10	DCIE	
O=S1(=O)CC[C@@H]2CN(c3ncc([B-](F)(F)F)cn3)C[C@H]21	2116146517	UMSASDIMGZPHOU-VXNVDRBHSA-N	306.098	0.154	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CC(=O)N1	2125954775	YTRKNAFECRDBRV-ZETCQYMHSA-N	307.759	0.236	70	10	DCIE	
CSCC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(N)=O	1437763329	JLNJEOJWPLDIPE-ZETCQYMHSA-N	323.371	0.010	70	10	DCIE	
CC(C)NC[C@H](O)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1278803718	FDXQUPRYBWLCGD-VIFPVBQESA-N	321.374	0.104	70	10	DCIE	
CCn1cccc1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923176268	YAOMIKSQSAQNJX-UHFFFAOYSA-N	300.315	0.574	70	10	DCIE	
CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1	161314303	KVLSJEYOZMTHGP-NWDGAFQWSA-N	320.397	0.293	70	10	DCIE	
C[C@@H](CC(=O)NCC1CN(S(=O)(=O)F)C1)P(C)(C)=O	1886564486	HYBYZSWTZSIRDU-QMMMGPOBSA-N	314.319	0.650	70	10	DCIE	
CSCCS(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	2053722018	CHBVSQJCRMEZNE-UHFFFAOYSA-N	317.389	0.183	70	10	DCIE	
C[C@@H]1CCC[C@H]1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271504837	IHCCIVXVFLABGZ-KXUCPTDWSA-N	314.404	0.383	70	10	DCIE	
CCc1[nH]nc(C(=O)N(C)CC2COC2)c1S(=O)(=O)Cl	2285333472	MKZMOTWQGOKUQL-UHFFFAOYSA-N	321.786	0.618	70	10	DCIE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)c1cc(S(=O)(=O)Cl)c[nH]1	2329055697	PYPDNFVWSYPSEJ-SKWCMTHISA-N	304.755	0.992	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CC(=O)N1CCOCC1	215804132	RURCAWVXCMGFBK-UHFFFAOYSA-N	321.786	0.232	70	10	DCIE	
CN(C)S(=O)(=O)CCCn1cc(S(=O)(=O)Cl)cn1	700306279	IZDSPOOOWFVIMK-UHFFFAOYSA-N	315.804	0.092	70	10	DCIE	
CO[C@H]1C[C@@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1	721780740	FPJPSIRCILYCKS-KNVOCYPGSA-N	308.743	0.301	70	10	DCIE	
Cn1c([C@H]2CCCCS2(=O)=O)nnc1S(=O)(=O)Cl	168027954	JDJBZYLYJBJRBE-ZCFIWIBFSA-N	313.788	0.382	70	10	DCIE	
C[C@H]1OCC[C@@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2121147858	OKLQMTMNKLRPEH-RNFRBKRXSA-N	308.743	0.301	70	10	DCIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](S(=O)(=O)CCS(C)(=O)=O)C1	218099764	LHDJWCWDFUVLOL-WOPDTQHZSA-N	311.469	0.599	70	10	DCIE	
CONC(=O)CNC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1585643759	VAOHHDINGXJZQY-UHFFFAOYSA-N	324.717	0.406	70	10	DCIE	
O=C(N[C@@H]1CCc2ncnn2C1)N1CCN2CCCC[C@@H]2C1	161151667	SYPRIRBICZNYMM-CHWSQXEVSA-N	304.398	0.473	70	10	DCIE	
CC(=O)N[C@@H](C(=O)N1CCS(=O)(=O)C(C)(C)C1)C(C)C	160136296	ZSYVRCLDSRNQMN-LLVKDONJSA-N	304.412	0.183	70	10	DCIE	
CC(C)CN1CCC[C@@H]1CNC(=O)CCN1C(=O)CCC1=O	160529710	TWHDMMOFMJRZMP-CYBMUJFWSA-N	309.410	0.762	70	10	DCIE	
COCCN(CCO)C(=O)c1ccc(CS(C)(=O)=O)cc1	160620748	BFSOJAKUOZMNML-UHFFFAOYSA-N	315.391	0.312	70	10	DCIE	
CN(C[C@@H]1CNCCO1)c1c(Cl)cnn(CC2CC2)c1=O	159852574	WJAHYJZCHXEVPH-NSHDSACASA-N	312.801	0.731	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)C1[C@H]2CCCC[C@H]12	1945736193	WLTUQLMTBCAXGZ-YUMQZZPRSA-N	301.817	0.663	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N2CCCNC(=O)C2)c1F	159539534	NNTLHILBTIVARB-UHFFFAOYSA-N	301.343	0.227	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1[C@H]2COCC[C@H]21	2150124183	RRXAFEYBJMHBIW-WCABBAIRSA-N	318.782	0.717	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCO[C@@H](CN(C)C)C2)n1	2172762116	FLNSSCHNMKBJTN-JTQLQIEISA-N	303.117	0.606	70	10	DCIE	
O=C(NC[C@H]1[C@@H]2CCOC[C@@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2355949242	WLVBSROLPCRLAF-GUBZILKMSA-N	318.782	0.955	70	10	DCIE	
COC[C@@H](O)CN(C)C(=O)/C=C\S(=O)(=O)c1ccccc1	218120357	IQAWLIYCZAXHOB-LAUAKBEESA-N	313.375	0.440	70	10	DCIE	
CC(C)[C@H](O)C(C)(C)C(=O)NCC1CN(S(=O)(=O)F)C1	2365777518	ZCBOOFQNVGUZIB-JTQLQIEISA-N	310.391	0.292	70	10	DCIE	
CC[C@@H](NC(=O)CCc1ccc(S(=O)(=O)F)cc1)C(N)=O	1129312567	NDTICFZJYABQDT-LLVKDONJSA-N	316.354	0.658	70	10	DCIE	
O=C(NC[C@]12COC[C@@H]1C2)c1cc(S(=O)(=O)Cl)c[nH]1	689331642	WBEUIOVACUUKHC-WRWORJQWSA-N	304.755	0.709	70	10	DCIE	
Cn1nc(I)c(S(=O)(=O)F)c1F	1930880871	CKIUTWJPTFNYMX-UHFFFAOYSA-N	308.047	0.822	70	10	DCIE	
CC(C)Cn1c(-c2cc(O)nn2C)nnc1S(=O)(=O)Cl	1913088781	NZYFSIBVMRYOCH-UHFFFAOYSA-N	319.774	0.968	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(N)c(F)cc1F	218159189	UDKUVTHCVZRWBH-UHFFFAOYSA-N	307.322	0.304	70	10	DCIE	
N#CC1(CS(=O)(=O)N2CC(CS(=O)(=O)F)C2)CCC1	2134974256	CHNAQPYZRLQGRF-UHFFFAOYSA-N	310.372	0.241	70	10	DCIE	
CN(CCC(N)=S)C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1	160453686	SRHKEANTWTZDGJ-IUODEOHRSA-N	313.467	0.748	70	10	DCIE	
COC(=O)Cn1ncc(N[C@](C)(CN)C2CC2)c(Cl)c1=O	159891230	PCJUSBBLFRCVAR-CYBMUJFWSA-N	314.773	0.609	70	10	DCIE	
O=C(NC1COCCOC1)c1cc(S(=O)(=O)Cl)c[nH]1	311850158	IVYSEAWTIHYHDO-UHFFFAOYSA-N	308.743	0.087	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)NC1[C@H]2COC[C@H]12	2174646817	FEPBIOOACPKHSC-IUCAKERBSA-N	318.782	0.810	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1CC(=O)N(C)CC	2182344433	PZRZTRMCHPPRCK-UHFFFAOYSA-N	323.802	0.825	70	10	DCIE	
CO[C@@]1(C(=O)N2CC(CCS(=O)(=O)F)C2)CCCOC1	2199686605	BLWHFDXSTJMLLS-LBPRGKRZSA-N	309.359	0.330	70	10	DCIE	
CCCc1noc(CCC(=O)N2CC(S(=O)(=O)F)C2)n1	2199696009	WGPJDLOHRMOHSG-UHFFFAOYSA-N	305.331	0.465	70	10	DCIE	
O=S1(=O)CC[C@H](COc2cc([B-](F)(F)F)ccc2F)N1	2089978732	BRWQFJRZDJXGMA-MRVPVSSYSA-N	312.073	0.951	70	10	DCIE	
COC(=O)[C@@H](CC(C)C)NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1	217807048	ABFWKTQLDXUCQT-SDDRHHMPSA-N	322.427	0.518	70	10	DCIE	
CC[C@@H](CO)NC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	217287090	DUQPDBZVWHHRDW-KBPBESRZSA-N	305.378	0.858	70	10	DCIE	
COCCn1c([C@H]2OCC[C@@H]2C)nnc1S(=O)(=O)Cl	133332201	YIUGBTGRGYKJBM-YUMQZZPRSA-N	309.775	0.950	70	10	DCIE	
COc1ccc(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)s1	1923172896	BSFRXADZNLLVGZ-UHFFFAOYSA-N	319.339	0.823	70	10	DCIE	
CCCC(=O)NC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1744616750	BYOFTEVGZARONT-MRVPVSSYSA-N	319.358	0.708	70	10	DCIE	
C[C@@H]1CN(c2ccc3nnc(C4CC4)n3n2)CCS1(=O)=O	160763601	UOGCGHJXIKXPDU-SECBINFHSA-N	307.379	0.625	70	10	DCIE	
Cc1cc(NC(=O)C(=O)N2CC[C@H](Oc3cccnc3)C2)no1	160991413	BZTYANXNDMILLF-LBPRGKRZSA-N	316.317	0.996	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1C(=O)C1(C(N)=S)CCCCC1	159776750	YPKBSWPIUNLHOA-JTQLQIEISA-N	313.423	0.196	70	10	DCIE	
O=S(=O)(Cl)N1CC(n2cc(Br)cn2)C1	1887084005	LBVXLEVNPPRNBA-UHFFFAOYSA-N	300.565	0.986	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1CC2(C1)CC2(F)F	1974054972	LBQGFDNUQKRBBY-UHFFFAOYSA-N	312.313	0.684	70	10	DCIE	
CN(CCCN)S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	160530905	BGSDMCVQXKKODY-CHWSQXEVSA-N	305.444	0.139	70	10	DCIE	
CC(C)(Cn1cc(S(=O)(=O)Cl)cn1)CS(C)(=O)=O	694512949	FCSJLNOXEMNETN-UHFFFAOYSA-N	314.816	0.881	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1COC[C@@H]1F	2191489049	NBTAZRIFVHWOFA-IUCAKERBSA-N	324.761	0.902	70	10	DCIE	
CCc1nn(C[C@H]2CC(=O)N2)c(CC)c1S(=O)(=O)Cl	2092752010	QNGQTJNDVPORDR-SSDOTTSWSA-N	305.787	0.824	70	10	DCIE	
CC[C@H](C(N)=O)n1nc(OC)c(S(=O)(=O)Cl)c1OC	2093415744	QMBUWFSGSGPTJK-RXMQYKEDSA-N	311.747	0.264	70	10	DCIE	
O=C([C@@H](O)Cc1ccccc1)N1CC[C@@H](S(=O)(=O)F)C1	2205350310	RSUFFYUNKRBAIB-NEPJUHHUSA-N	301.339	0.490	70	10	DCIE	
COc1nn(CCOCCF)c(OC)c1S(=O)(=O)Cl	2232279975	KCQQQXDVWZWABJ-UHFFFAOYSA-N	316.738	0.814	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cccc(Cl)n1	2271502620	ZLMNOAMLVOALBT-ZETCQYMHSA-N	307.734	0.753	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccc(Cl)nc1	2271502784	KQIOMRAGDCABPI-QMMMGPOBSA-N	307.734	0.753	70	10	DCIE	
O=C(C[C@@H]1C[C@H]1C(F)(F)F)N[C@@H]1CCN(S(=O)(=O)F)C1	2287074218	CHNVHCMRSREFOU-XLPZGREQSA-N	318.292	0.980	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@@H]2C=C[C@H]1CC2	2359646948	HFLAUEHYSUAYMT-NOOOWODRSA-N	302.371	0.994	70	10	DCIE	
C[C@@](O)(CNC(=O)C(=O)NCC(F)(F)F)Cc1ccco1	217283244	RVNHGQRDIDZYFU-NSHDSACASA-N	308.256	0.368	70	10	DCIE	
CN(C)CCN(C(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1	217313508	SHNILCDAOKCMIC-NSHDSACASA-N	305.444	0.545	70	10	DCIE	
C[C@H](NCCNC(=O)N(C)C)c1ccc(S(N)(=O)=O)cc1	160764920	GNIARTCXQPQHEK-JTQLQIEISA-N	314.411	0.256	70	10	DCIE	
COC(=O)Cn1ncc(N[C@H]2CCC[C@H]2CN)c(Cl)c1=O	159639425	JGDYNTZBMFTLEJ-IUCAKERBSA-N	314.773	0.609	70	10	DCIE	
CC(C)c1nc(S(=O)(=O)Cl)cn1[C@H](C)C(=O)NC(N)=O	2143426001	YTGAOGSGNZKOQS-ZCFIWIBFSA-N	322.774	0.690	70	10	DCIE	
CCn1cc(C(=O)N2CCN(S(=O)(=O)F)CC2)c(C)n1	1974015717	XDFJLUKQRLNRCY-UHFFFAOYSA-N	304.347	0.184	70	10	DCIE	
CO[C@@H](C(=O)N1CCN(S(=O)(=O)F)CC1)C1CCCC1	1974014482	JJKRBZGZXHGNLH-LLVKDONJSA-N	308.375	0.550	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)C(F)(F)C(F)F	1974403025	TURSNQXGKQGRJI-UHFFFAOYSA-N	310.244	0.682	70	10	DCIE	
CS(=O)(=O)N[C@H]1CCCN(c2ncncc2[B-](F)(F)F)C1	2172777176	YZSAFQTZFSYSOI-QMMMGPOBSA-N	323.129	0.049	70	10	DCIE	
O=S1(=O)CC(S(=O)(=O)N2CCC[C@@H]([B-](F)(F)F)C2)C1	2070263076	CWMJSSFVNDVKNN-SSDOTTSWSA-N	320.143	0.427	70	10	DCIE	
C[C@@H]1O[C@@]2(C(=O)N[C@H]3CCN(S(=O)(=O)F)C3)CC[C@H]1C2	2287073207	SBSHSKDFOWUKGZ-GMOBBJLQSA-N	306.359	0.349	70	10	DCIE	
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1CCC[C@@H](S(=O)(=O)F)C1	2353948721	MGGFQYAQFZERLA-ZSOJELSESA-N	303.355	0.700	70	10	DCIE	
CCCc1nsc(S(=O)(=O)CCS(=O)(=O)Cl)n1	114541159	AOWVTWFHFUDTGH-UHFFFAOYSA-N	318.829	0.833	70	10	DCIE	
CCCCOCCn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	112727597	FIVBVMZWOYGMNJ-UHFFFAOYSA-N	310.759	0.281	70	10	DCIE	
C[C@@H](Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl)C(N)=O	215668747	ZSOFVNKIGAREQI-RXMQYKEDSA-N	308.699	0.775	70	10	DCIE	
CCc1noc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)n1	215933622	WRLUKVUFPUGCSU-UHFFFAOYSA-N	321.702	0.713	70	10	DCIE	
COc1ccccc1OCNC(=O)N1CCN(CCN)CC1	217308814	XBCWRRYQPDLBET-UHFFFAOYSA-N	308.382	0.317	70	10	DCIE	
Cn1nnnc1COc1ccc(S(=O)(=O)Cl)c(F)c1F	698609347	SHDXSOTYWSUGRD-UHFFFAOYSA-N	324.696	0.995	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@H]1COC[C@@H]1OC	2125954359	SZNBJPLEGMDDTM-YUMQZZPRSA-N	310.759	0.543	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)c2cc(F)ccc2F)C1	2134974807	KNSPBUGBFYDCCX-UHFFFAOYSA-N	315.294	0.637	70	10	DCIE	
COCCNC(=O)Cc1cc(S(=O)(=O)Cl)ccc1OC	115785404	NRUIEHZRXLGVQE-UHFFFAOYSA-N	321.782	0.928	70	10	DCIE	
Cc1noc(C)c1S(=O)(=O)N[C@H]1CCC[C@@H](C(N)=O)C1	160202065	JVWDRDCWVXFQIY-ZJUUUORDSA-N	301.368	0.614	70	10	DCIE	
C[C@@]1(NC(=O)c2c(F)ccc(S(N)(=O)=O)c2F)CCOC1	160213906	YRPHDALOWVPMOW-GFCCVEGCSA-N	320.317	0.521	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)NCc2ccc(CN)cc2)C[C@H](C)O1	159585390	LSUUHLCAALUANE-RYUDHWBXSA-N	313.423	0.589	70	10	DCIE	
C[C@H]1CN(C(F)(F)COS(=O)(=O)C(F)(F)F)C[C@@H]1N	852749753	DUPJQGUSHQYMFM-WDSKDSINSA-N	312.260	0.724	70	10	DCIE	
Fc1cnc(N2CCN(C3COC3)CC2)c([B-](F)(F)F)c1	2188597349	BBQYCBVERZYRQI-UHFFFAOYSA-N	304.076	0.796	70	10	DCIE	
COc1ccc(C(=O)N2CC(CCS(=O)(=O)F)C2)nc1	2199688228	LFULHTGTPDEHJZ-UHFFFAOYSA-N	302.327	0.852	70	10	DCIE	
O=C(NCCCOc1ccccc1)N1CCN(CCO)CC1	217299717	QTRIFFMPBTXAQV-UHFFFAOYSA-N	307.394	0.775	70	10	DCIE	
CN([C@H]1CCS(=O)(=O)C1)[C@@]1(CN)CCc2ccccc2C1	218523436	YVJIAZTVNKHCQW-HOTGVXAUSA-N	308.447	0.992	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CC3(CC3)CO2)[nH]1	2166462964	ILQUMOZYDLFRDX-ZETCQYMHSA-N	303.315	0.008	70	10	DCIE	
CN(CC(N)=O)c1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	1306930348	LNMIHDCJJMBHNB-UHFFFAOYSA-N	305.287	0.316	70	10	DCIE	
CCOCCS(=O)(=O)N(C)CC1CCN(C[C@@H](C)O)CC1	161446255	QTSINEYJRNPCFW-CYBMUJFWSA-N	322.471	0.377	70	10	DCIE	
CSC[C@](C)(O)CNC(=O)CCNC(=O)C1CCCC1	217621706	SEARWDVIJYARIN-CQSZACIVSA-N	302.440	0.913	70	10	DCIE	
COCCCNC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1275309817	NCEXXWYYXGFORA-VIFPVBQESA-N	321.374	0.417	70	10	DCIE	
O=C1NCCCC[C@@H]1n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215919285	RAQXSGRAOSWOLU-LURJTMIESA-N	322.730	0.560	70	10	DCIE	
CS(=O)(=O)CCn1nc(C2CC2)cc1S(=O)(=O)Cl	203535803	BAGLDCYWKYUAEN-UHFFFAOYSA-N	312.800	0.733	70	10	DCIE	
CC(C)NCCCS(=O)(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	160450617	LZKBSFDCBONEFN-CHWSQXEVSA-N	317.455	0.305	70	10	DCIE	
C[C@@H](CN(C)C)NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	163332656	GKVSNIXQRPEJTE-VIFPVBQESA-N	324.399	0.573	70	10	DCIE	
COc1nc(N2CC(N(C)C3CC3)C2)ncc1[B-](F)(F)F	2172995039	KOVLEVOOMBBDDD-UHFFFAOYSA-N	301.101	0.822	70	10	DCIE	
O=C1C[C@@H](C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)NC(=O)N1	2194129444	KLTLMOSEVYECCG-HFJPGXAFSA-N	304.057	0.425	70	10	DCIE	
CC(F)(F)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271488371	DRGJFXAYPCRCCY-BWZBUEFSSA-N	300.302	0.683	70	10	DCIE	
Cc1ccc(CC(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cc1	2287068808	JYICRQGXYJHYMY-LBPRGKRZSA-N	300.355	0.942	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@]2(C)CCOC2)c1S(=O)(=O)Cl	162388781	QJLXWRHYHRHHAR-SNVBAGLBSA-N	307.759	0.554	70	10	DCIE	
O=C1NCCC[C@H]1n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	691842158	OGBNJGINNIHQED-RXMQYKEDSA-N	308.703	0.170	70	10	DCIE	
CC(C)C(=O)N[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1284330758	BNCVLIPYTBESSY-QMMMGPOBSA-N	319.358	0.563	70	10	DCIE	
C[C@@H](NC(=O)c1cnc2c(c1)ncn2C)[C@@H](C)N1CCOCC1	160404400	WGBVBPHJMLLRAE-VXGBXAGGSA-N	317.393	0.807	70	10	DCIE	
O=C1CC[C@@H]2CN(S(=O)(=O)c3cccc(O)c3)CC[C@@H]2N1	160485073	LKXCZBLOPBJOKK-MFKMUULPSA-N	310.375	0.681	70	10	DCIE	
O=S(=O)(CC1CCNCC1)N1CC[C@@]2(O)CCCC[C@H]2C1	160802039	IZDTXRLZQJOOLB-GJZGRUSLSA-N	316.467	0.943	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1Cc1cccc(C(N)=S)c1	159815388	OCYCEZDMJAFZSB-CYBMUJFWSA-N	307.419	0.658	70	10	DCIE	
CCCn1cc(S(=O)(=O)NCC(=O)NC(C)(C)C)c(N)n1	159846296	NHMXRDJJXQLSRS-UHFFFAOYSA-N	317.415	0.068	70	10	DCIE	
CN(C)S(=O)(=O)c1ccc(CNCC(=O)NC(C)(C)C)o1	159867686	FSAYUIRJTQRBHT-UHFFFAOYSA-N	317.411	0.534	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)[C@@H](CCC)C(N)=S	159779766	FHXPOJANBKBYSZ-WDEREUQCSA-N	315.439	0.442	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(CCO)C2CCCC2)cc1N	159599907	KVEHLYGLMBKDGB-UHFFFAOYSA-N	313.423	0.918	70	10	DCIE	
CO[C@H](C(=O)N1CC(CS(=O)(=O)F)C1)[C@@H]1CCCOC1	1968226769	GERZRTOCVSGISS-MNOVXSKESA-N	309.359	0.186	70	10	DCIE	
CO[C@]1(CNC[C@@H]2CCCN(S(C)(=O)=O)C2)CCOC1	160339506	CBRATBHNJYQATK-STQMWFEESA-N	306.428	0.053	70	10	DCIE	
Cc1ccnc(N2CCN3CCOC[C@H]3C2)c1[B-](F)(F)F	2185883292	XGDHGBHXUIEUPI-LLVKDONJSA-N	300.113	0.965	70	10	DCIE	
CCOCCCS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2088900034	KFBIHQIRMUHFOQ-JTQLQIEISA-N	317.404	0.507	70	10	DCIE	
N#Cc1cnc(S(=O)(=O)CCS(=O)(=O)Cl)s1	2246275230	OMYYPGSFCHWKTG-UHFFFAOYSA-N	300.770	0.357	70	10	DCIE	
O=C(CC1CC(F)(F)C1)N[C@@H]1CCN(S(=O)(=O)F)C1	2271497478	ILYDFOSJQSAEIP-MRVPVSSYSA-N	300.302	0.827	70	10	DCIE	
O=S1(=O)CCN(c2ncc([B-](F)(F)F)cn2)CC12CCC2	2279720159	UDDSSOXKMGLRTE-UHFFFAOYSA-N	320.125	0.689	70	10	DCIE	
Cc1nc(Cl)ncc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287071205	WYFOLLFXTILECE-ZETCQYMHSA-N	322.749	0.457	70	10	DCIE	
O=C(CN1C(=O)CCC1=O)NC[C@H]1CCCN1c1nccs1	217727152	AORJXIOIIBGSFO-SNVBAGLBSA-N	322.390	0.377	70	10	DCIE	
CNC(=O)NC(=O)[C@@H](C)n1cc(S(=O)(=O)Cl)nc1C	215901220	WDDHCDYFCCCXKI-RXMQYKEDSA-N	308.747	0.136	70	10	DCIE	
O=C(N[C@@H]1CCC[C@H](OCC(F)(F)F)C1)[C@H]1C[C@H](O)CN1	217743214	WBYRYLSZIOTAMK-VPOLOUISSA-N	310.316	0.716	70	10	DCIE	
N#CC1(CS(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)CCCC1	2166365888	KAGZWUBXSGGLQB-SNVBAGLBSA-N	324.399	0.774	70	10	DCIE	
O=S1(=O)CC[C@H]2CN(c3ccc([B-](F)(F)F)cn3)C[C@@H]21	2116148839	VVDQQQOCMHZKOL-WPRPVWTQSA-N	305.110	0.759	70	10	DCIE	
CC[C@](C)(NC(=O)c1ccc(S(=O)(=O)F)cc1)C(N)=O	1439683712	RRMFUINDIKLEER-LBPRGKRZSA-N	302.327	0.729	70	10	DCIE	
O=S(=O)(F)c1ccccc1NS(=O)(=O)N1CC[C@@H](O)C1	1914068101	WMVUVRKYQZGCEE-MRVPVSSYSA-N	324.355	0.068	70	10	DCIE	
CN1C[C@@H](NS(=O)(=O)c2cc(F)cc(F)c2)CCC1=O	160074772	CEDIIUFDGJMJPQ-JTQLQIEISA-N	304.318	0.864	70	10	DCIE	
CO[C@@H]1CN[C@H](C(=O)Nc2cc(S(C)(=O)=O)ccc2O)C1	160312223	JOUIUIAPRGAYEC-KWQFWETISA-N	314.363	0.111	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCC(=O)NC(C)(C)C)cc1N	159857000	HUGKBAMJOKBEIV-UHFFFAOYSA-N	314.411	0.504	70	10	DCIE	
C[C@@H]1CN(c2cnn(CCN(C)C)c(=O)c2Cl)CC[C@@H]1N	159789910	VPTITQJBZJTHBX-MNOVXSKESA-N	313.833	0.632	70	10	DCIE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	1974055657	ULMRUKMSYVCNST-HJQYOEGKSA-N	304.387	0.931	70	10	DCIE	
O=C(CC[C@@H]1CCCCO1)N1CCN(S(=O)(=O)F)CC1	1974001235	PIDGFWZQJNZHLW-NSHDSACASA-N	308.375	0.694	70	10	DCIE	
CN([C@@H]1CCOC1)S(=O)(=O)Cc1ccccc1C(N)=S	159446597	KOUPMUCQTPFLIE-LLVKDONJSA-N	314.432	0.871	70	10	DCIE	
C[C@@H]1C[C@@H]1CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N	160027867	HDABAABHDVFUND-RKDXNWHRSA-N	318.420	0.607	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)C2(Cl)CC2)C1	2022194088	BWLMQXIITVXETR-UHFFFAOYSA-N	305.780	0.666	70	10	DCIE	
CN(C[C@H]1CCCCS1(=O)=O)c1ncc([B-](F)(F)F)cn1	2172786819	WQLONQUFDZVZJH-SNVBAGLBSA-N	322.141	0.935	70	10	DCIE	
O=S(=O)(NC1CN(c2ccc([B-](F)(F)F)cn2)C1)C1CC1	2172777275	AJFFYZVIZBEXKY-UHFFFAOYSA-N	320.125	0.406	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2C[C@H]2COC)c1S(=O)(=O)Cl	2174355198	MJJKPGDSIRFYGM-POYBYMJQSA-N	321.786	0.664	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@H]2COC[C@H]21	2174640082	FEPBIOOACPKHSC-JZYVYDRUSA-N	318.782	0.810	70	10	DCIE	
O=S(=O)(F)c1ccc(NS(=O)(=O)c2cc[nH]c2)cn1	2110221248	KBQWJZRPZNJRPW-UHFFFAOYSA-N	305.312	0.869	70	10	DCIE	
O=C(COC[C@H]1CCCCO1)N1CCN(Cc2nnc[nH]2)CC1	217008997	MESMMZYKRUXDBM-CYBMUJFWSA-N	323.397	0.035	70	10	DCIE	
COc1cncc(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)c1	2199688515	MEFFRMDOLGJZPP-UHFFFAOYSA-N	324.355	0.010	70	10	DCIE	
COc1ccncc1C(=O)N1CC(CCS(=O)(=O)F)C1	2199698802	RKWHDVLNCXEFAZ-UHFFFAOYSA-N	302.327	0.852	70	10	DCIE	
C[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271504839	IHCCIVXVFLABGZ-UTLUCORTSA-N	314.404	0.383	70	10	DCIE	
C[C@@H]1OCC[C@H]1N(C)C(=O)c1cc(F)ccc1S(N)(=O)=O	160507579	BFZXKSHHLCPTIC-GZMMTYOYSA-N	316.354	0.723	70	10	DCIE	
O=C(Cc1ccc(-n2cnnn2)cc1)N1C[C@@H]2CCC[C@H](C1)N2	159484547	TUCIPPQUMIFDBP-OKILXGFUSA-N	312.377	0.558	70	10	DCIE	
Cn1nccc1C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1	159396918	ZZXCVHOKIYNAMH-WCQYABFASA-N	305.334	0.978	70	10	DCIE	
CO[C@H](C(=O)N1CCC[C@@H](S(=O)(=O)F)C1)[C@@H]1CCCO1	1973216797	SWLYBYCQWCEXST-VWYCJHECSA-N	309.359	0.471	70	10	DCIE	
CC[C@@H](C(=O)N1CCOC[C@@H]1C(=O)NC(C)C)C(N)=S	159784421	RRYKJWVFEIAXHB-NXEZZACHSA-N	301.412	0.051	70	10	DCIE	
CN(C[C@@]12CCC[C@@H]1CS(=O)(=O)C2)S(=O)(=O)Cl	2023523428	KJMVPMXEZDRLJT-RKDXNWHRSA-N	301.817	0.617	70	10	DCIE	
Cc1cnc(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)s1	2087493566	RRNAWUOIVGWIDT-UHFFFAOYSA-N	321.767	0.690	70	10	DCIE	
CCCc1n[nH]c(C(=O)N[C@H]2CCOC2)c1S(=O)(=O)Cl	131891017	RRVVWADOVDJILQ-ZETCQYMHSA-N	321.786	0.808	70	10	DCIE	
CC(C)CNC(=O)Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215910596	QKUHMDFAJYVRSM-UHFFFAOYSA-N	324.746	0.491	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1Cc1nc(C)no1	2125953110	FTWYSSHFYGOBKO-UHFFFAOYSA-N	306.731	0.697	70	10	DCIE	
CN(C)CCCNS(=O)(=O)c1cc(CN)cc(F)c1F	217462343	LUTFYPVIODKXBZ-UHFFFAOYSA-N	307.366	0.654	70	10	DCIE	
Cc1nc(SCCS(=O)(=O)Cl)cc2n[nH]c(=O)n12	203536369	LQMXJRBEHSKGRU-UHFFFAOYSA-N	308.772	0.387	70	10	DCIE	
COCCN(C)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1490251101	WJVMLLHYHXPWKW-UHFFFAOYSA-N	321.374	0.371	70	10	DCIE	
CCN(CC)C(=O)CCC(=O)N1CCS(=O)(=O)C(C)(C)C1	160182426	BNAADKQWHPOWTC-UHFFFAOYSA-N	318.439	0.671	70	10	DCIE	
COc1ccc(CN2C[C@@H](C(=O)NC3(CO)CC3)CC2=O)cc1	160263310	RXWLZKAMMGWXDO-ZDUSSCGKSA-N	318.373	0.685	70	10	DCIE	
N[C@H](C(=O)N1CCOC[C@@H]1C(=O)NC1CC1)c1cccs1	159660027	LLHDLFRBTWIYSQ-PWSUYJOCSA-N	309.391	0.254	70	10	DCIE	
C[C@@H](c1cccc(F)c1)N1CCN(CC(=O)NC(N)=O)CC1	159483117	NEJPBBBCZLNEGW-NSHDSACASA-N	308.357	0.699	70	10	DCIE	
O=C(C[C@@H]1NC(=O)NC1=O)Nc1nc(C(F)(F)F)cs1	159932535	WKPFFFXENUUIFJ-VKHMYHEASA-N	308.241	0.699	70	10	DCIE	
O=C([C@@H]1CCc2c[nH]nc2C1)N1CC[C@@H](S(=O)(=O)F)C1	2144734163	XXHHEOBOJAQHQF-PSASIEDQSA-N	301.343	0.415	70	10	DCIE	
CO[C@H]1CC[C@H](NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	300652990	SCBPEVAFIOXHGG-YUMQZZPRSA-N	321.786	0.943	70	10	DCIE	
Cc1cc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)ncc1[B-](F)(F)F	2336507660	DXBQDKMHFXNYDX-SCZZXKLOSA-N	305.110	0.678	70	10	DCIE	
O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@@H]1c1c(F)cccc1F	160293318	QBBKSMSBHDGYTI-JUWDTYFHSA-N	309.272	0.535	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccc3c(c2)NCC3)CCOC1	160678508	BFARYHYIKHBQQI-AWEZNQCLSA-N	312.391	0.738	70	10	DCIE	
CO[C@@]1(CNc2nc(Cl)nc(-n3cncn3)n2)CCOC1	161051554	WIPLRRGFVCDDBH-LLVKDONJSA-N	311.733	0.323	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1	163299750	BCTHYAAMINUKLP-VIFPVBQESA-N	323.367	0.802	70	10	DCIE	
Cn1nccc1S(=O)(=O)Nc1ccccc1S(=O)(=O)F	228314826	UWKYFKJIMOVZDR-UHFFFAOYSA-N	319.339	0.879	70	10	DCIE	
Cn1c(C23CCCN(CCC2)C3)nnc1S(=O)(=O)Cl	705917833	UMHUTEZMXFKPRY-UHFFFAOYSA-N	304.803	0.870	70	10	DCIE	
Cc1noc(C)c1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923172770	BPFPISAFIHBOIU-UHFFFAOYSA-N	302.287	0.357	70	10	DCIE	
CCCc1c(C(=O)N2CC[C@H](S(=O)(=O)F)C2)nnn1C	1923533193	JTPOCEIHKRKQTD-QMMMGPOBSA-N	304.347	0.281	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)[C@H]2CCCC[C@H]2F)C1	2078989835	BETDIVNQAOZDNC-BDAKNGLRSA-N	303.352	0.580	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)C[C@H]2CCCO2)C1	2088473227	YNRGMUQROQUWEA-ZJUUUORDSA-N	315.388	0.259	70	10	DCIE	
O=C(c1cc(C(F)(F)F)on1)N1CC(S(=O)(=O)F)C1	2134975333	BIBNPFFLEITKDP-UHFFFAOYSA-N	302.205	0.817	70	10	DCIE	
O=C(N1CC[C@H](S(=O)(=O)F)C1)C12CCCN(CCC1)C2	2144732701	IIQRLTFFSHZTLS-NSHDSACASA-N	304.387	0.763	70	10	DCIE	
CC(=O)N1CCC(C(=O)N2CC[C@H](S(=O)(=O)F)C2)CC1	2144733596	RQWJTOHTTPUAGI-NSHDSACASA-N	306.359	0.145	70	10	DCIE	
COC[C@@H]1CN(c2ncc([B-](F)(F)F)cn2)C[C@@H]1COC	2172772017	IGZWTDGIYKWYTD-AOOOYVTPSA-N	304.101	0.876	70	10	DCIE	
CN(c1ncncc1[B-](F)(F)F)[C@H]1CCN(S(C)(=O)=O)C1	2172774508	PAWYDXMUHVFCBW-QMMMGPOBSA-N	323.129	0.001	70	10	DCIE	
Cc1[nH]nc(C(=O)OC[C@@H]2CCCN2C)c1S(=O)(=O)Cl	2237351711	IGVCOCOGEDEAOW-QMMMGPOBSA-N	321.786	0.897	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)C1C[C@H]2CSC[C@H](C1)C2	2284153490	MNRPSXXWQZECRE-IUCAKERBSA-N	322.427	0.780	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ncoc1C(F)F	2287069165	APLAXSDPEVJJKG-YFKPBYRVSA-N	313.257	0.631	70	10	DCIE	
CCn1c(CC(COC)COC)nnc1S(=O)(=O)Cl	2130886315	LMOKJUNJMVPKJV-UHFFFAOYSA-N	311.791	0.677	70	10	DCIE	
C[C@H]1[C@@H](C)N(c2ncc([B-](F)(F)F)cn2)CCS1(=O)=O	2116148501	QUFYGVYLGWLQFH-SFYZADRCSA-N	308.114	0.543	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1[C@@H](C)C(=O)NC	2125953142	GEAUKSACIUCDEQ-ZETCQYMHSA-N	309.775	0.654	70	10	DCIE	
CCNC(=O)COc1ccc(S(=O)(=O)Cl)cc1C(=O)O	215649300	GMJSITHPXCAJFO-UHFFFAOYSA-N	321.738	0.827	70	10	DCIE	
C[C@H](CNC[C@H]1CCCN(S(C)(=O)=O)C1)N(C)C1CC1	218679949	XPPMHYAIBRJTDS-CHWSQXEVSA-N	303.472	0.730	70	10	DCIE	
CCN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1567450995	YLWMMEKAFGWMAS-UHFFFAOYSA-N	303.359	0.887	70	10	DCIE	
Cc1cc(C[C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O)n[nH]1	161436099	CRAMYFWEBAMKPO-MRVPVSSYSA-N	302.400	0.093	70	10	DCIE	
CNc1ncc(Cl)c(N2CCOC[C@@H]2C(=O)NC2CC2)n1	160573740	CISZVBVSRYKZOS-SNVBAGLBSA-N	311.773	0.656	70	10	DCIE	
COCCn1c(C[C@H]2CCCCO2)nnc1S(=O)(=O)Cl	158084301	RABQIAIMGTYMKL-SECBINFHSA-N	323.802	0.964	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N[C@H]2C=CS(=O)(=O)C2)c1F	159542771	FARQXYZKQCYGJF-VIFPVBQESA-N	320.367	0.305	70	10	DCIE	
NC[C@H]1CCCC[C@H]1Nc1cnn(CCO)c(=O)c1Cl	159663377	JSOBJDPWDAVATL-NXEZZACHSA-N	300.790	0.818	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)Cc1ccccc1F	396475413	RPOOBCQYCIVCGX-UHFFFAOYSA-N	315.775	0.814	70	10	DCIE	
C[C@@H](Oc1ccc(Cl)cc1S(=O)(=O)F)C(=O)NC(N)=O	2191415169	ZLIVDTMJDBZBJB-RXMQYKEDSA-N	324.717	0.960	70	10	DCIE	
C[C@H](Oc1ccc(Cl)cc1S(=O)(=O)F)C(=O)NC(N)=O	2191415170	ZLIVDTMJDBZBJB-YFKPBYRVSA-N	324.717	0.960	70	10	DCIE	
O=C(N1CC(CCS(=O)(=O)F)C1)C(F)(F)[C@H]1CCOC1	2199683655	CNFCPUMVDPGTGV-VIFPVBQESA-N	315.313	0.806	70	10	DCIE	
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CC(CS(=O)(=O)F)C1	2200090578	KKTKHXWZQCOGKC-NWDGAFQWSA-N	305.371	0.807	70	10	DCIE	
C=CCN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2110219589	UPZRXOJETWAUGG-UHFFFAOYSA-N	309.344	0.514	70	10	DCIE	
COc1ccc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)c(N)c1	2286954228	FLIUUFRWBNGBPT-VIFPVBQESA-N	302.327	0.791	70	10	DCIE	
O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCN(S(=O)(=O)F)CC1	2354629663	TWEIACXIMGHAOU-GRYCIOLGSA-N	302.371	0.947	70	10	DCIE	
CC[C@@H]1[C@H](CO)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1348404416	GDNNLSASTMJQAJ-GZMMTYOYSA-N	304.343	0.906	70	10	DCIE	
CO[C@@H]1C[C@H]1CNC(=O)c1cc(S(=O)(=O)Cl)cn1C	2131640142	SVPGJDLYEPVSHN-OIBJUYFYSA-N	306.771	0.717	70	10	DCIE	
COCCNC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1277177642	MXUUILLZCKAQAE-UHFFFAOYSA-N	319.358	0.171	70	10	DCIE	
COC[C@@H](O)CCNC(=O)Cn1cc(-c2ccccc2)nn1	161253700	DGPVNPAPCAYOHN-ZDUSSCGKSA-N	304.350	0.459	70	10	DCIE	
Cc1cc(S(N)(=O)=O)ccc1C(=O)N(C)[C@@H]1CCO[C@@H]1C	160506965	RGNZWFHVLQEJBR-ZWNOBZJWSA-N	312.391	0.892	70	10	DCIE	
CC(C)NS(=O)(=O)c1ccc(C(=O)NC2(CO)CC2)cc1	159861285	BEKCCUAIEMBZDP-UHFFFAOYSA-N	312.391	0.628	70	10	DCIE	
C=CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1970991966	QQWHIBKJXJOZKE-UHFFFAOYSA-N	323.367	0.826	70	10	DCIE	
NC(=O)CSCCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	160477625	JAZMJMAYGJHFJR-RISCZKNCSA-N	300.424	0.749	70	10	DCIE	
CCCNCCn1cc(S(=O)(=O)NC[C@H]2C[C@H]2C)cn1	160891803	PGTINBBEKVLUDQ-VXGBXAGGSA-N	300.428	0.817	70	10	DCIE	
CCNc1ncc(S(=O)(=O)N(C)[C@@H]2CCO[C@@H]2C)cn1	160994420	QIYGGAJBEAWMIU-MWLCHTKSSA-N	300.384	0.706	70	10	DCIE	
COCCn1c([C@@H]2C[C@H]3C[C@@H]3CO2)nnc1S(=O)(=O)Cl	2151725313	JNZKNHLUWZZCTH-HLTSFMKQSA-N	321.786	0.950	70	10	DCIE	
C[C@H](CCCN1CCS(=O)(=O)CCO1)S(=O)(=O)Cl	2037932892	KYUWWYXYKFJRDI-SECBINFHSA-N	319.832	0.386	70	10	DCIE	
CN1CCN(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1	217286824	XFGLJQZYBBSMGQ-OAHLLOKOSA-N	316.405	0.745	70	10	DCIE	
COCCNC(=O)C(=O)NC[C@H](OC)c1ccccc1Cl	218343351	NUYUXTMBXJWWGV-LBPRGKRZSA-N	314.769	0.906	70	10	DCIE	
CN(C)CCN(C(=O)Nc1ccco1)[C@@H]1CCS(=O)(=O)C1	217271989	RIXSCLVIXULNPU-LLVKDONJSA-N	315.395	0.862	70	10	DCIE	
C#CCN[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C	939158976	TUKZTXVNMPAYKU-SKDRFNHKSA-N	313.354	0.356	70	10	DCIE	
C#CCCN[C@@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1317407823	YZSUKUUXDDHDLI-JTQLQIEISA-N	315.370	0.794	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H](C)[C@@H]2CCCO2)c1S(=O)(=O)Cl	115793226	XNFGIHSKQCYBGS-SVRRBLITSA-N	321.786	0.943	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2CCCC2(F)F)[nH]1	1923178695	TVJCXABGTHDISY-ZCFIWIBFSA-N	311.285	0.874	70	10	DCIE	
C#CCCN[C@@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1570633446	HMCWDNUYBSTWQW-VHSXEESVSA-N	315.370	0.793	70	10	DCIE	
CC(=O)NCCc1ccc(S(=O)(=O)N(C)[C@@H](C)CO)cc1	161316539	FUNWQLRQTZZIJQ-NSHDSACASA-N	314.407	0.367	70	10	DCIE	
Cc1cc(C(=O)NCCOC(C)C)cc(S(N)(=O)=O)c1F	161481432	WMMSHMDCGTZARA-UHFFFAOYSA-N	318.370	0.936	70	10	DCIE	
CNC[C@H]1COCCN1c1ccc(S(=O)(=O)N(C)C)cc1	160423950	GVVARZREERCSLK-ZDUSSCGKSA-N	313.423	0.362	70	10	DCIE	
C[C@@H](NCCNC(N)=O)c1ccc(S(=O)(=O)N(C)C)cc1	160831264	LDVBLPOBOFYMEN-SNVBAGLBSA-N	314.411	0.256	70	10	DCIE	
COc1ccc(C(=O)NCC(=O)N[C@@H](CO)CC(C)C)cc1	160971513	RXFRAZXMIVQJSH-CYBMUJFWSA-N	308.378	0.948	70	10	DCIE	
Cc1c(C(=O)NC[C@@H](O)C(C)C)cccc1S(N)(=O)=O	159406671	CJRDGQQOUPSGFJ-LLVKDONJSA-N	300.380	0.389	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)c1c(F)cc(N)cc1F	159845704	PBEVBCKFSJKUPP-UHFFFAOYSA-N	321.349	0.740	70	10	DCIE	
O=C(CCc1ccncc1)NCC1CN(S(=O)(=O)F)C1	1974059756	OTQWBLQANXWQSY-UHFFFAOYSA-N	301.343	0.277	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)CC[C@@H]1CCCCN1	159886925	TYKMABMZXDSEFC-NSHDSACASA-N	305.444	0.353	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CC[C@@H]3OCCO[C@H]3C2)n1	2172767949	BBKNWQMKGJIIHL-QWRGUYRKSA-N	302.085	0.834	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1C[C@@]12CCOC2	2198307255	ABVNJAWQZIGEGZ-ZYHUDNBSSA-N	318.782	0.861	70	10	DCIE	
Cc1cc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)nnc1C	2287074175	BXNXZXOYWWNALF-SECBINFHSA-N	302.331	0.112	70	10	DCIE	
Nc1cccc(Cl)c1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287066198	VNBFSXYEROTQIG-ZETCQYMHSA-N	321.761	0.941	70	10	DCIE	
CC(C)Cn1c([C@H]2COCCO2)nnc1S(=O)(=O)Cl	133437645	DRTWFJRVDHKNIJ-MRVPVSSYSA-N	309.775	0.950	70	10	DCIE	
CC(C)(C)OC(=O)NCC(=O)N1CC[C@@H](S(=O)(=O)F)C1	1882250393	RRVHDLBWEMJXMW-MRVPVSSYSA-N	310.347	0.411	70	10	DCIE	
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1c1ncc([B-](F)(F)F)cn1	2116148499	QUFYGVYLGWLQFH-HTQZYQBOSA-N	308.114	0.543	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)CC2CC(F)C2)C1	2134976730	KPSVLFVRPJFSHH-UHFFFAOYSA-N	317.379	0.686	70	10	DCIE	
O=C(NNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccncc1	1540409610	IHLLLOHHGIQPQV-UHFFFAOYSA-N	312.282	0.143	70	10	DCIE	
C[C@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCCO	1662974803	OTQRMGFRJPIKHU-SECBINFHSA-N	321.374	0.153	70	10	DCIE	
CCS(=O)(=O)NCC(=O)Nc1cccc(-c2noc(C)n2)c1	160233325	HOVBYLRZDNIDPC-UHFFFAOYSA-N	324.362	0.923	70	10	DCIE	
NCCc1nc(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cs1	160237781	DCQFDDIOEHYADD-ZJUUUORDSA-N	308.407	0.385	70	10	DCIE	
C[C@H]1CN(c2ccc(C(=O)NC3(CO)CC3)cn2)C[C@H](C)O1	160286832	HWERTWDTABWOAD-RYUDHWBXSA-N	305.378	0.950	70	10	DCIE	
O=C(c1c(F)cncc1F)N1CCN(S(=O)(=O)F)CC1	1974000592	CCHKRSNVMYSFLX-UHFFFAOYSA-N	309.269	0.332	70	10	DCIE	
CCSCC[C@@H](C)NC(=O)C[C@H]1CS(=O)(=O)CCN1	160227004	BPHCQQJFNLLPPK-MNOVXSKESA-N	308.469	0.411	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cnc(N)c(Cl)c2)CCOC1	161203218	RETRMVCBSLCRPZ-NSHDSACASA-N	321.786	0.401	70	10	DCIE	
O[C@H](CN1CCOCC1)CN1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2194168853	AGESCTLQVBXECK-XQQFMLRXSA-N	307.145	0.993	70	10	DCIE	
COCCOc1ccc(S(C)(=O)=O)cc1S(=O)(=O)F	2089933592	NNHZYZSNPVWFGP-UHFFFAOYSA-N	312.340	0.774	70	10	DCIE	
O=C(C1CC(C(F)F)C1)N1CCN(S(=O)(=O)F)CC1	2232337870	JSKVFMGOCLYNNY-UHFFFAOYSA-N	300.302	0.636	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)n1	2336520077	JZAIXYCXCWHARC-SCZZXKLOSA-N	305.110	0.678	70	10	DCIE	
CC(C)(C#N)CCCn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	215765258	OBUQHPRLDOQIJN-UHFFFAOYSA-N	319.770	0.794	70	10	DCIE	
CCc1c(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)nnn1C	1923533162	IYJFVPSQHYMUAZ-QMMMGPOBSA-N	304.347	0.281	70	10	DCIE	
CN(C)c1cccc(CNC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)n1	161435283	NNPRRRVBUAHSGD-NWDGAFQWSA-N	319.409	0.991	70	10	DCIE	
CCOc1cc(N)cc(-c2nnnn2CCS(C)(=O)=O)c1	159844753	MPTWAPWZHUVKMA-UHFFFAOYSA-N	311.367	0.366	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1ccc(C(N)=S)cc1F	159791901	XFIUWMLTZWJLGB-GFCCVEGCSA-N	311.382	0.801	70	10	DCIE	
C[C@@H]1C[C@]2(CCS1(=O)=O)CC(=O)N2S(=O)(=O)Cl	1946393461	WDZFODLTVGHINQ-HTRCEHHLSA-N	301.773	0.038	70	10	DCIE	
O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](S(=O)(=O)F)C1	2144733887	VABKARBAFFFPHV-SECBINFHSA-N	303.311	0.541	70	10	DCIE	
CO[C@@H]1CN(c2ncc([B-](F)(F)F)c(C)n2)[C@H]2COC[C@H]12	2172766292	DVGWIDGQDOBOAX-INTQDDNPSA-N	302.085	0.689	70	10	DCIE	
Cc1[nH]nc(C(=O)N2CCN(C)[C@H]3C[C@@H]32)c1S(=O)(=O)Cl	2168372710	RTLXCHUGGREVOX-YUMQZZPRSA-N	318.786	0.174	70	10	DCIE	
O=S(=O)(NC1CCN(S(=O)(=O)F)CC1)C1CCC1	2049919994	YQAXIWCFVKJOGP-UHFFFAOYSA-N	300.377	0.137	70	10	DCIE	
CC1CC(S(=O)(=O)NC2CCN(S(=O)(=O)F)CC2)C1	2112718646	QAYGRJOISMWYAX-UHFFFAOYSA-N	314.404	0.383	70	10	DCIE	
Cn1c(C2CC(S(C)(=O)=O)C2)nnc1S(=O)(=O)Cl	2257552175	VSHTZDZSYJQBLT-UHFFFAOYSA-N	313.788	0.033	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CC[C@H](S(C)(=O)=O)C2)n1	2280490633	LAQGVHYROSVBHK-QMMMGPOBSA-N	323.125	0.768	70	10	DCIE	
C[C@@H](CCCN1C[C@@H]2[C@H](C1)CS2(=O)=O)S(=O)(=O)Cl	2314813281	DRBJVRZSZQBLAO-IVZWLZJFSA-N	315.844	0.453	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@H](C)C(N)=O	305930218	BYHARIHZPOJYCP-BYPYZUCNSA-N	310.719	0.149	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2CC[C@@H]2OC)c1S(=O)(=O)Cl	724418412	DJHLTIABXOABLZ-YUMQZZPRSA-N	321.786	0.807	70	10	DCIE	
COc1ccc(S(=O)(=O)Cl)c(CNS(C)(=O)=O)c1	59107062	YUOAKOVHUDIIIB-UHFFFAOYSA-N	313.784	0.672	70	10	DCIE	
C[C@]1(C(=O)NC2CN(S(=O)(=O)F)C2)C[C@H]1C(F)(F)F	2268803448	GCGBAYYJQNMYOS-SVRRBLITSA-N	304.265	0.590	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cccc(F)c2)[nH]1	1923174551	WCBOBSGRCWWJBX-UHFFFAOYSA-N	301.274	0.892	70	10	DCIE	
COCCN(CC(F)F)C(=O)N[C@@H]1CCc2ncnn2C1	161357804	RPFAHEGOWRKLFU-SECBINFHSA-N	303.313	0.516	70	10	DCIE	
CO[C@H]1CN[C@@H](C(=O)Nc2cc(S(C)(=O)=O)ccc2O)C1	160311830	JOUIUIAPRGAYEC-LDYMZIIASA-N	314.363	0.111	70	10	DCIE	
O=C(NCCCn1ccnn1)c1cnc(C(F)(F)F)nc1	160346323	KHAMLGADOVTRSV-UHFFFAOYSA-N	300.244	0.907	70	10	DCIE	
COC(=O)Cn1ncc(N[C@H]2CCC[C@@H]2CN)c(Cl)c1=O	159639155	JGDYNTZBMFTLEJ-BDAKNGLRSA-N	314.773	0.609	70	10	DCIE	
CC(C)n1ncc(N2CC(N3CCNCC3)C2)c(Cl)c1=O	159695940	QLNIJBVUVKCJCL-UHFFFAOYSA-N	311.817	0.571	70	10	DCIE	
CC[C@@]1(C(=O)NCC2CN(S(=O)(=O)F)C2)CC1(F)F	1974055608	TWMXPNWREQSFEF-VIFPVBQESA-N	300.302	0.684	70	10	DCIE	
CN(CCCn1cc(S(=O)(=O)Cl)c(O)nc1=O)C1CC1	2193699665	AEGQPFUBYDBVRG-UHFFFAOYSA-N	321.786	0.361	70	10	DCIE	
CC1(C)CC(S(=O)(=O)N2CCN(S(=O)(=O)F)CC2)C1	2107407777	JYJQTPBJYBCTQA-UHFFFAOYSA-N	314.404	0.337	70	10	DCIE	
Cc1cn2nc(S(=O)(=O)CCS(=O)(=O)Cl)ccc2n1	2108437715	ATBRWACSMXCRRZ-UHFFFAOYSA-N	323.783	0.380	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CCO[C@@H]3COC[C@H]32)n1	2280640038	ACKRRGYCWFCTBB-NXEZZACHSA-N	303.069	0.749	70	10	DCIE	
CC1(C)[C@H]2CO[C@@]1(C(=O)NCC1CN(S(=O)(=O)F)C1)C2	2289247159	REYRUTHOKKTAJE-BXKDBHETSA-N	306.359	0.064	70	10	DCIE	
O=C(NCCOCC(F)F)c1cc(S(=O)(=O)Cl)c[nH]1	236132222	OVVPIJNEXNWAHY-UHFFFAOYSA-N	316.713	0.954	70	10	DCIE	
COC(=O)[C@@H](OS(=O)(=O)C(F)(F)F)[C@H]1COC(C)(C)O1	1615863489	QOTALJRVDSIPAG-RITPCOANSA-N	322.257	0.546	70	10	DCIE	
CC#CCNCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1731954291	QGWHNJVKXMKXRT-UHFFFAOYSA-N	301.343	0.358	70	10	DCIE	
CC#CCN[C@@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1674730167	ZRRQKVGCPPRJLU-UWVGGRQHSA-N	315.370	0.793	70	10	DCIE	
Cc1cccc(C)c1CCNC(=O)C1CC2(C1)NC(=O)NC2=O	160956119	RRGOLRBQMIIBRC-UHFFFAOYSA-N	315.373	0.950	70	10	DCIE	
C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCN(S(=O)(=O)F)CC2)[C@@H]1C	1974015330	SLMLCLTVKWNARV-LMLFDSFASA-N	308.375	0.404	70	10	DCIE	
C[C@H]1COCC[C@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394201	FKRGRUIUTZQTLK-GXSJLCMTSA-N	308.375	0.454	70	10	DCIE	
CN(C)C(=O)[C@H]1CNCCN1c1nnc(C(F)(F)F)s1	160376918	TXVAFTBCBSZSDB-ZCFIWIBFSA-N	309.317	0.423	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)C2CCS(=O)(=O)CC2)n1	2172767095	PQGAHWGDHVLABA-UHFFFAOYSA-N	322.141	0.853	70	10	DCIE	
Cc1nc(N(C)C[C@@H]2CCCS2(=O)=O)ncc1[B-](F)(F)F	2172767261	ROZOEHPQYQWXEQ-VIFPVBQESA-N	322.141	0.853	70	10	DCIE	
CCCn1c(CN2CCOCC2)nnc1S(=O)(=O)Cl	2092370097	CSUNHBVYCCEJTL-UHFFFAOYSA-N	308.791	0.448	70	10	DCIE	
O=C(c1ccn(C(F)(F)F)n1)N1CC(CS(=O)(=O)F)C1	2295210200	XXFNEWUCZLRVHJ-UHFFFAOYSA-N	315.248	0.731	70	10	DCIE	
CS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]	59103501	DTHWAVHYTSEYTC-UHFFFAOYSA-N	314.728	0.894	70	10	DCIE	
CS(=O)(=O)[C@@H]1CCC[C@@]12CC(=O)N2S(=O)(=O)Cl	114486245	YNSAIYAPVIFJFW-HTRCEHHLSA-N	301.773	0.038	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1CCOC[C@@H](F)C1	2361817791	CKFAYLPWGBWXOV-QMMMGPOBSA-N	324.761	0.763	70	10	DCIE	
CC(=O)Oc1cccc(NC(=O)N2CCN(CCO)CC2)c1	217265309	MAWSYJVPASIMFX-UHFFFAOYSA-N	307.350	0.754	70	10	DCIE	
CS(=O)(=O)[C@H]1CCCN(CCCCS(=O)(=O)Cl)C1	689061383	BZFHIEYGEFNQMY-JTQLQIEISA-N	317.860	0.844	70	10	DCIE	
C#CCCNC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1323542721	RNYCDWKBLMYKFA-UHFFFAOYSA-N	313.354	0.548	70	10	DCIE	
O=C(NCCC1(CO)CCC1)c1cc(S(=O)(=O)F)c[nH]1	1352375836	RHHZVXSCOIJUMM-UHFFFAOYSA-N	304.343	0.955	70	10	DCIE	
COCCN(C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl)C1CC1	115796094	KJNXUZBHWLYSFS-UHFFFAOYSA-N	321.786	0.897	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH]1	1923157822	GEEBEJGWZAPDGJ-IWSPIJDZSA-N	301.343	0.875	70	10	DCIE	
N#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)nc1	1583065820	VCVFIGZXUGPYFC-UHFFFAOYSA-N	308.294	0.870	70	10	DCIE	
Nc1ccccc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1	161323792	YNNLIEMDPVLTSC-ZDUSSCGKSA-N	317.389	0.980	70	10	DCIE	
O=C(Cc1ccc2c(c1)OCO2)NC[C@H](O)CN1CCCCC1	160391008	YCFQTQWSOUGLBE-AWEZNQCLSA-N	320.389	0.921	70	10	DCIE	
CCOC1CC(CC(=O)N2CCN(S(=O)(=O)F)CC2)C1	1974014555	KCWQZTCZYARQKK-UHFFFAOYSA-N	308.375	0.550	70	10	DCIE	
COCCn1c([C@]23C[C@H](OC)[C@@H]2C3)nnc1S(=O)(=O)Cl	2157485384	DKERXOUXGYQLRN-DKCNOQQISA-N	321.786	0.528	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@@]2(C)C(F)F)[nH]1	2177452937	VXSSWLRORVMQKQ-XUOSJQGZSA-N	311.285	0.730	70	10	DCIE	
CS(=O)(=O)C1(C(=O)Nc2ccc(S(=O)(=O)F)nc2)CC1	2167889114	YOSQUVGUQDZTKB-UHFFFAOYSA-N	322.339	0.256	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1CCOC2(CC2)C1	2168297194	YEWXBRBWBZNNRL-UHFFFAOYSA-N	318.782	0.958	70	10	DCIE	
CCN(C)CCn1nc([N+](=O)[O-])c(S(=O)(=O)Cl)c1C	2092366795	LQXIZIFKWLWZPY-UHFFFAOYSA-N	310.763	0.979	70	10	DCIE	
COCCn1c(-c2cnsn2)nnc1S(=O)(=O)Cl	2048233944	CKCSAQLXFXBTCS-UHFFFAOYSA-N	309.760	0.371	70	10	DCIE	
CS(=O)(=O)C1(Cn2cc(S(=O)(=O)Cl)cn2)CCC1	2048866557	GOHSKTKMGKVCRP-UHFFFAOYSA-N	312.800	0.778	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)C2CCOCC2)C1	2088473061	XAOVYCKVVIDCOL-JTQLQIEISA-N	315.388	0.259	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2)C1	2088470663	ZSGPEOPNQKTWSO-SNVBAGLBSA-N	311.331	0.888	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)C2[C@H]3CCCC[C@H]23)C1	2094585080	SQHZNWSXBRULBX-UTLUCORTSA-N	311.400	0.878	70	10	DCIE	
Cc1nc(C)c(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)s1	2271489507	CMCFTXTVKSSWOT-MRVPVSSYSA-N	307.372	0.778	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cccc(Cl)n1	2271502619	ZLMNOAMLVOALBT-SSDOTTSWSA-N	307.734	0.753	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2C[C@@H]3CC[C@H]2O3)c1S(=O)(=O)Cl	2354253429	UGGQRRFOMNZQCM-BIIVOSGPSA-N	319.770	0.695	70	10	DCIE	
COCC[C@H](C)NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	115021048	DOOIVTGLNGNUNM-LURJTMIESA-N	309.775	0.800	70	10	DCIE	
CC[C@@H]1CC[C@@H](NC)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217971113	JGHINTYWXWDYKA-RBSFLKMASA-N	317.499	0.978	70	10	DCIE	
Cc1nc(C=CC(=O)NCC2CN(S(=O)(=O)F)C2)cs1	2164434224	HSEZOQHQVNFSCA-UHFFFAOYSA-N	319.383	0.727	70	10	DCIE	
CC1(C(=O)Nc2ccc(S(=O)(=O)F)nc2)CS(=O)(=O)C1	2166533997	RVIIIWLHPZDYDE-UHFFFAOYSA-N	322.339	0.113	70	10	DCIE	
Cc1ccc(O[C@@H](C)C(=O)NC(N)=O)c(S(=O)(=O)Cl)c1	215634800	FGBHWYIAWUEWTG-ZETCQYMHSA-N	320.754	0.885	70	10	DCIE	
CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(CO)cn1	217297519	LOAFXFKJQRULJZ-UHFFFAOYSA-N	301.412	0.440	70	10	DCIE	
CN(C)CCNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	163297051	KVTSZRKFTBZHBT-UHFFFAOYSA-N	310.372	0.185	70	10	DCIE	
O[C@H](C[C@@H]1COCCN1Cc1nnnn1C1CC1)c1ccco1	159651992	NEIDNJBBGUXYIQ-CHWSQXEVSA-N	319.365	0.926	70	10	DCIE	
Cc1cc(OCC(=O)N[C@@H](C)C(=O)N2CCCCC2)nn1C	159786200	NOLITTOZXCFUPO-LBPRGKRZSA-N	308.382	0.625	70	10	DCIE	
C[C@@]1(C(=O)N2CCN(S(=O)(=O)F)CC2)C[C@H]1C(F)(F)F	1974014560	KEIYKKZTTXTLGG-VXNVDRBHSA-N	318.292	0.933	70	10	DCIE	
CC[C@H](N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)OC	159494478	WUBUOYYGCFILJD-CABZTGNLSA-N	300.380	0.936	70	10	DCIE	
CCNCCCn1cc(S(=O)(=O)NC[C@@H]2C[C@H]2C)cn1	160902532	NYDFEPFKZNMXFU-NEPJUHHUSA-N	300.428	0.817	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CNC(=O)C1	400255381	POSXSRIGUADLRN-QMMMGPOBSA-N	305.787	0.899	70	10	DCIE	
COc1c(C(=O)NC2COC2)csc1S(=O)(=O)Cl	2046685050	ANFIOCHMNBWPGH-UHFFFAOYSA-N	311.768	0.813	70	10	DCIE	
COc1cc(C(=O)N2CC(CCS(=O)(=O)F)C2)ccn1	2199689311	PZGWISUSSJTTQC-UHFFFAOYSA-N	302.327	0.852	70	10	DCIE	
CN(C1(C)COC1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	2208297846	KVKYWLHFUGAHMZ-UHFFFAOYSA-N	323.367	0.754	70	10	DCIE	
Cc1cnc(O[C@@H]2CCN(S(C)(=O)=O)C2)c([B-](F)(F)F)c1	2285600537	PYUVFUPNEICDDI-SECBINFHSA-N	323.125	0.857	70	10	DCIE	
CCOC(CNC(=O)N[C@@H]1CC(=O)N(C(C)C)C1)OCC	217289300	ZINCFEWSWVXPQY-LLVKDONJSA-N	301.387	0.694	70	10	DCIE	
COC[C@@]12CCO[C@H]1CN(c1ncncc1[B-](F)(F)F)C2	2361565001	SIUJSLODAXOOPH-JQWIXIFHSA-N	302.085	0.773	70	10	DCIE	
COCCn1c(-c2cncnc2)nnc1S(=O)(=O)Cl	229823024	JRKDMKFAABOVDL-UHFFFAOYSA-N	303.731	0.309	70	10	DCIE	
NS(=O)(=O)c1ccc(CNC(=O)c2ccncc2O)cc1	161313341	IFMSAFQNQNKKGO-UHFFFAOYSA-N	307.331	0.365	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1c1ccc(C(N)=S)nc1	159805931	XMAKDBYGMROBGN-GFCCVEGCSA-N	308.407	0.447	70	10	DCIE	
CCNC(=O)N1CC[C@H](NC(=O)N2CCCN(CC)CC2)C1	159992084	QSZDNITXBMYULU-ZDUSSCGKSA-N	311.430	0.527	70	10	DCIE	
CCOc1nc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)co1	1968236087	SEDJVEGLCUZKFM-QMMMGPOBSA-N	306.315	0.977	70	10	DCIE	
Cc1cc(C#N)ccc1S(=O)(=O)N1CC(S(=O)(=O)F)C1	2199691944	GNICCJORIUCLFA-UHFFFAOYSA-N	318.351	0.539	70	10	DCIE	
CN(C1CCC1)S(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2089199638	GRDVAQKLPHBIQL-JTQLQIEISA-N	314.404	0.479	70	10	DCIE	
CC(F)(F)C1(C(=O)NC2CN(S(=O)(=O)F)C2)CCC1	2268808772	ZHYFNHMKFWPDND-UHFFFAOYSA-N	300.302	0.827	70	10	DCIE	
CN(C)S(=O)(=O)[C@H]1CCN(c2ccncc2[B-](F)(F)F)C1	2279225374	PCQHUXPZOXIPCY-VIFPVBQESA-N	322.141	0.606	70	10	DCIE	
CCc1cc(C(=O)NC2CN(S(=O)(=O)F)C2)n(CC)n1	2284153272	JNWIPECFVASYPC-UHFFFAOYSA-N	304.347	0.094	70	10	DCIE	
COC1(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CC(CF)C1	2287062539	HIIASPOKXPVPAM-INWMGODYSA-N	312.338	0.156	70	10	DCIE	
C#C[C@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)F)CC2)CC1	2363896939	USOPYYRKRHJMNE-HAQNSBGRSA-N	302.371	0.785	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1CCOC[C@H]1CF	2126166860	BLNTXXSTTJWGPH-SSDOTTSWSA-N	310.734	0.753	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(N)c(C)cc1Cl	218156276	FEJGRKOCQMOBDU-UHFFFAOYSA-N	319.814	0.987	70	10	DCIE	
C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CC(S(=O)(=O)F)C2)C1	2134976512	YQCRLZYXFFVBEI-IUCAKERBSA-N	314.404	0.193	70	10	DCIE	
CCn1nnc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)c1C	1923533316	MHPWHOKYZXISSS-SECBINFHSA-N	304.347	0.510	70	10	DCIE	
CCCNC(=O)NC(=O)CN1CCC[C@H](c2nncn2CC)C1	161330345	LOUREMMEKSJFRH-LBPRGKRZSA-N	322.413	0.713	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)NCCCn1cccn1	160051449	GSBPEARZQVDMKD-UHFFFAOYSA-N	305.338	0.887	70	10	DCIE	
Cc1ccn(-c2ccc(N3CCS(=O)(=O)[C@@H](C)C3)nn2)n1	160729826	GVOYGSLRGBWRLJ-NSHDSACASA-N	307.379	0.594	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1Cc1cc(F)ccc1C(N)=S	159819526	UQGCCYFSSKBQEV-LBPRGKRZSA-N	311.382	0.407	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1CCCOCC1	1974394914	RNWJKDPLNGNPFD-SNVBAGLBSA-N	308.375	0.598	70	10	DCIE	
O=C(NC1CC1)[C@@H]1COCCN1c1nc(Cl)nc(Cl)n1	160281465	MPAVGRGKVBIIKG-ZETCQYMHSA-N	318.164	0.662	70	10	DCIE	
CN(C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)c(N)c1	160693748	ZAKRTKWDQVOYAB-UHFFFAOYSA-N	320.802	0.472	70	10	DCIE	
COCCn1c([C@@H]2C[C@@H]3C[C@@H]3CO2)nnc1S(=O)(=O)Cl	2151725315	JNZKNHLUWZZCTH-YIZRAAEISA-N	321.786	0.950	70	10	DCIE	
O=C(c1cc([N+](=O)[O-])cs1)N1CCN(S(=O)(=O)F)CC1	2163649358	KYRQZHJNDACCTP-UHFFFAOYSA-N	323.327	0.628	70	10	DCIE	
Cc1ccnc(N2C[C@@H]3OCCN(C)[C@@H]3C2)c1[B-](F)(F)F	2172783295	CNDNNOLQXXLIBZ-MNOVXSKESA-N	300.113	0.964	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1COC2CC1C2	2183067600	MCOWOWOGFHUJRX-SFVIPPHHSA-N	318.782	0.860	70	10	DCIE	
COCCn1c(C[C@@H]2CC[C@H]2OC)nnc1S(=O)(=O)Cl	2186906900	HXOHWBTZKOIMSS-DTWKUNHWSA-N	323.802	0.820	70	10	DCIE	
COc1cccc(C(=O)N2CC(CS(=O)(=O)F)C2)c1O	2199689018	ILBNDCUOHQEVKV-UHFFFAOYSA-N	303.311	0.772	70	10	DCIE	
Cc1[nH]nc(C(=O)OC[C@H]2CCN(C)C2)c1S(=O)(=O)Cl	2237152027	LESHCVUZPIPGAR-QMMMGPOBSA-N	321.786	0.754	70	10	DCIE	
CS(=O)(=O)N1CC[C@@H](Oc2ncccc2[B-](F)(F)F)C1	2270089838	HSMJLNPFZMMVHQ-MRVPVSSYSA-N	309.098	0.549	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2C[C@@H]3OCCO[C@H]3C2)n1	2280635485	VVUPBILEVZNGGT-UWVGGRQHSA-N	303.069	0.749	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1CCCOC1	689450365	UFDHHOUOGLPXPO-SSDOTTSWSA-N	308.743	0.303	70	10	DCIE	
Cc1cc(N2CCS(=O)(=O)CCO2)ncc1[B-](F)(F)F	2116140394	MCALJINROISPAW-UHFFFAOYSA-N	309.098	0.611	70	10	DCIE	
O=C(OCCn1ccnc1)c1cc(S(=O)(=O)Cl)c[nH]1	2127974565	URRXLBHGYNOBNU-UHFFFAOYSA-N	303.727	0.996	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@H]1[C@@H]2COC[C@@H]21	2132393295	SRWIJTRSTNWWKJ-PSVAKVPMSA-N	306.771	0.849	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)c2ccc(F)cc2)C1	2134976396	IRAAXSQRCLUSTB-UHFFFAOYSA-N	311.331	0.746	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NCCNC(=O)C2CC2)c1C	160643725	MVSDCTRJKPMCKH-UHFFFAOYSA-N	311.407	0.690	70	10	DCIE	
CC[C@@H]1[C@H]2CNC[C@@H]2CN1c1cnn(CCO)c(=O)c1Cl	159750411	SUIMWNKQYRSVNG-OUAUKWLOSA-N	312.801	0.323	70	10	DCIE	
O=C(c1n[nH]c2c1CCCC2)N1CC[C@H](S(=O)(=O)F)C1	2144732197	CNDQAIUPGXSRNY-QMMMGPOBSA-N	301.343	0.802	70	10	DCIE	
CO[C@]1(C)C[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	694438494	NLWSMKXXWRUZAK-MWLCHTKSSA-N	306.771	0.860	70	10	DCIE	
CN(c1ccc([B-](F)(F)F)cn1)[C@H]1CCN(S(C)(=O)=O)C1	2172784345	BYWDGAVOPLTHNQ-JTQLQIEISA-N	322.141	0.606	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@@H]2CCCN(C)C2)c1S(=O)(=O)Cl	2198006470	RHIKYUFDZRRGPH-MRVPVSSYSA-N	321.786	0.897	70	10	DCIE	
C[C@H]1OCC[C@H]1CC(=O)Nc1nn(C)cc1S(=O)(=O)F	2196351546	DNPVAUBAQRLORD-SFYZADRCSA-N	305.331	0.832	70	10	DCIE	
Cc1ncc(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)s1	2078989817	AZUSLPHEEVIKHH-UHFFFAOYSA-N	314.385	0.371	70	10	DCIE	
CC(C)OCCS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2088471206	FIXQAUQXDZJPJM-SNVBAGLBSA-N	317.404	0.505	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)C[C@@H]2CCCCO2)C1	2338748804	CSBHCEWEHJXVIJ-JTQLQIEISA-N	315.388	0.116	70	10	DCIE	
C[S@](=O)CCNC(=O)c1cccc(S(=O)(=O)Cl)c1	135261146	MWYWGRUYVQAFNY-QGZVFWFLSA-N	309.796	0.722	70	10	DCIE	
C[C@H](Oc1ccc(C(=O)O)cc1S(=O)(=O)Cl)C(N)=O	215617812	PHYZZDQWGBELII-YFKPBYRVSA-N	307.711	0.565	70	10	DCIE	
C[C@H](O)CNC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1319533297	CRFKEKXVILDVAC-BDAKNGLRSA-N	321.374	0.104	70	10	DCIE	
CN(C)CC(C)(C)CNS(=O)(=O)N1CCC[C@@H](CO)C1	217297502	JMQHHLHTCQBXPF-GFCCVEGCSA-N	307.460	0.113	70	10	DCIE	
CSC[C@](C)(O)CNC(=O)CSc1nncn1C1CC1	217698989	YAMWJMQWRNKUHG-GFCCVEGCSA-N	316.452	0.935	70	10	DCIE	
CO[C@@H]1CCN(C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)[C@H]1C	1914364055	KZJQBKXMHUOLQY-JGVFFNPUSA-N	321.786	0.895	70	10	DCIE	
NC(=O)c1cnc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)s1	1532063517	AJGFWBACZLOCEN-UHFFFAOYSA-N	318.311	0.481	70	10	DCIE	
O=C(NC1(CO)CC1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1	160211198	WUFZVZGDLODZJL-VIFPVBQESA-N	310.300	0.959	70	10	DCIE	
CN(C)C(=O)NCCNC(=O)c1ccc2nc(N)sc2c1	160857980	WHCHMFSQBKSUIL-UHFFFAOYSA-N	307.379	0.880	70	10	DCIE	
COC1(C(=O)C[C@H]2CCCN(S(C)(=O)=O)C2)CCOCC1	160881322	IQPOGQIJEOBDFJ-GFCCVEGCSA-N	319.423	0.813	70	10	DCIE	
Cn1cc([N+](=O)[O-])cc1C(=O)N1CC(CS(=O)(=O)F)C1	1968216226	UXODHYLVFKMPKR-UHFFFAOYSA-N	305.287	0.305	70	10	DCIE	
CC[C@H](N)c1cccc(S(=O)(=O)NCCNC(N)=O)c1	160939351	RWXXZUNLLUAZSJ-NSHDSACASA-N	300.384	0.043	70	10	DCIE	
O=C1CC[C@@H](Cn2cc(S(=O)(=O)Cl)nc2C2CC2)N1	704277798	AZQSOVCWHYDSFD-QMMMGPOBSA-N	303.771	0.967	70	10	DCIE	
CS(=O)(=O)[C@H]1CCC[C@]2(CC(=O)N2S(=O)(=O)Cl)C1	2042646044	IESRUBPWILZVIV-IONNQARKSA-N	315.800	0.428	70	10	DCIE	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)F)c1OCCC(N)=O	2191435178	SLAZUJSREACUNC-UHFFFAOYSA-N	306.271	0.816	70	10	DCIE	
O=S(=O)(Cl)CCCCN1CC23COCC2(COC3)C1	2093994635	ZUQJFRJYTJXGNG-UHFFFAOYSA-N	309.815	0.684	70	10	DCIE	
O=S(=O)(CC1CCCC1)N[C@@H]1CCN(S(=O)(=O)F)C1	2271500200	KJPZRHCUYJPBLW-SNVBAGLBSA-N	314.404	0.385	70	10	DCIE	
COc1cccc(CC(=O)NC2CN(S(=O)(=O)F)C2)c1	2284152706	BMEDBNGVIUGMBO-UHFFFAOYSA-N	302.327	0.252	70	10	DCIE	
CN1CCN(CCOc2ncc([B-](F)(F)F)cc2F)CC1	2296334683	RJBCKKQBYMPGHU-UHFFFAOYSA-N	306.092	0.901	70	10	DCIE	
O=S1(=O)C[C@H]2CN(c3ncc(F)cc3[B-](F)(F)F)C[C@H]21	2336397960	QZHWLUVTPAICAO-HZGVNTEJSA-N	309.073	0.508	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)NC[C@@H](N)c2ccccc2)C[C@H](C)O1	217840535	OQMRTSYLFSENPN-SGMGOOAPSA-N	313.423	0.630	70	10	DCIE	
CN1CC[C@H](OC(=O)c2cc(S(=O)(=O)Cl)cn2C)C1	1893432144	TUCBAWZCTSVVHX-QMMMGPOBSA-N	306.771	0.814	70	10	DCIE	
O=S1(=O)C[C@@H]2CCN(c3ccncc3[B-](F)(F)F)[C@H]2C1	2116144216	DHSJXPWERBSJSI-KWQFWETISA-N	305.110	0.759	70	10	DCIE	
CO[C@@H]1CCN(C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)[C@@H]1C	1914364053	KZJQBKXMHUOLQY-HTQZYQBOSA-N	321.786	0.895	70	10	DCIE	
CN1C[C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1	1520006929	LRKBBWYKMNNGEP-KCJUWKMLSA-N	301.343	0.449	70	10	DCIE	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H](C)CC(N)=O	1460129289	WLILHWKFXGPMDT-MRVPVSSYSA-N	302.327	0.647	70	10	DCIE	
COC(=O)C[C@@H]1CN(c2cc(C(N)=S)cc(C)n2)CCO1	161357705	LEOAHNIACHIJAB-LLVKDONJSA-N	309.391	0.793	70	10	DCIE	
CC(=O)NC1(C(=O)NC[C@H]2CN(C3CC3)CCO2)CCCCC1	160439810	YJVITGIUOFUQPW-HNNXBMFYSA-N	323.437	0.805	70	10	DCIE	
COc1ccc(N)cc1S(=O)(=O)NC[C@]1(OC)CCOC1	159908739	USRZKGXXMZCANY-CYBMUJFWSA-N	316.379	0.361	70	10	DCIE	
Cc1scnc1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394955	RZNPIKHGDWDXOM-UHFFFAOYSA-N	307.372	0.860	70	10	DCIE	
C[C@H]1[C@H](C)S(=O)(=O)CCN1CCCS(=O)(=O)Cl	2003945955	ADBJVHCIILTKGJ-IUCAKERBSA-N	303.833	0.453	70	10	DCIE	
COc1nc(N2CCO[C@@H]3COC[C@H]32)ncc1[B-](F)(F)F	2192638243	WUHZZTHGJUPRFT-RKDXNWHRSA-N	304.057	0.144	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1OC[C@H]2CCCC[C@H]21	2284153021	GEUNVKIKVUAULX-FBIMIBRVSA-N	306.359	0.206	70	10	DCIE	
COC[C@@]1(C)C[C@@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	2284685156	YYOFLQYPLHFFLQ-ZYHUDNBSSA-N	308.375	0.454	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1c(O)cccc1F	2287077827	XZTLAFKEPKZOJG-ZETCQYMHSA-N	306.290	0.550	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCOCCC#N	2125943980	XMAFXAAFFCNVIO-UHFFFAOYSA-N	307.759	0.887	70	10	DCIE	
O=C(Cn1ncccc1=O)Nc1cnn(CC2CCOCC2)c1	218228135	DDWSGPCQYTWVMP-UHFFFAOYSA-N	317.349	0.505	70	10	DCIE	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1ncncc1[B-](F)(F)F	2116146537	UQYNHTDSENJHDY-HTQZYQBOSA-N	310.130	0.789	70	10	DCIE	
COC[C@@H](CF)NC(=O)c1cc(S(=O)(=O)Cl)cn1C	2116660551	QRCVUYDMHGBOAD-SSDOTTSWSA-N	312.750	0.667	70	10	DCIE	
O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCc2ncnn2C1	160941244	XVZAPCQMTXLRQX-KBPBESRZSA-N	315.377	0.496	70	10	DCIE	
COC(CN1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1)OC	160952251	ZEDVUKCEGPRJCE-OAHLLOKOSA-N	315.458	0.332	70	10	DCIE	
C[C@@H]1C[C@@H](N)CCN1c1cnn(CCN(C)C)c(=O)c1Cl	159928901	ZMVBQFUZPSZVOT-MNOVXSKESA-N	313.833	0.774	70	10	DCIE	
CCOc1cc(N)cc(C(=O)NC[C@H]2CCCS2(=O)=O)c1	159796235	XFQOZKAOHLPIQL-CYBMUJFWSA-N	312.391	0.975	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1CC2(CC2)CO1	1974394269	GMNXWROSQVCFGH-JTQLQIEISA-N	306.359	0.350	70	10	DCIE	
O=C1CCC[C@H](Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)N1	2145917137	DUAXOHJKYHWSFT-ZCFIWIBFSA-N	322.730	0.388	70	10	DCIE	
CC(C)OCCNS(=O)(=O)CCOc1ccccc1N	159876783	QYPUVJCIKGUXNA-UHFFFAOYSA-N	302.396	0.992	70	10	DCIE	
NC(=O)NCCNC[C@@H](O)COc1c(Cl)cccc1Cl	160970581	MSVNUJWPBCKGRG-MRVPVSSYSA-N	322.192	0.991	70	10	DCIE	
C[C@H]1CS(=O)(=O)CCN1CCC[C@H](C)S(=O)(=O)Cl	2037933378	BBOIPFYZFCRKKT-UWVGGRQHSA-N	317.860	0.843	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)n1	2172765928	YKCQLCAVCXNUBY-RKDXNWHRSA-N	320.125	0.320	70	10	DCIE	
O=C(NCC1[C@H]2COC[C@H]12)c1cc(S(=O)(=O)Cl)c[nH]1	386016496	VCHVLMJGODTKNS-RKDXNWHRSA-N	304.755	0.564	70	10	DCIE	
O=C([C@@H]1[C@H]2CCC(F)(F)[C@H]21)N1CCN(S(=O)(=O)F)CC1	2170852845	ADCFPVKDEVPASB-IWSPIJDZSA-N	312.313	0.636	70	10	DCIE	
CN1C(=O)C[C@H](Oc2ccc(S(=O)(=O)F)cc2F)C1=O	2191427005	WSNBXFPWTDGONS-VIFPVBQESA-N	305.258	0.620	70	10	DCIE	
O=C(N[C@@H]1C[C@H]2COC[C@@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2087577361	UZJDFCIPMUTDSR-CNUIFLNQSA-N	304.755	0.707	70	10	DCIE	
O=C(NC[C@@H]1OCC[C@H]1F)c1cc(S(=O)(=O)Cl)c[nH]1	2122554111	XWNSAYOSHXKJQN-APPZFPTMSA-N	310.734	0.799	70	10	DCIE	
Cc1cc(C)c(OCCOCC(N)=O)c(S(=O)(=O)F)c1	2241015818	VVZLAUOKTHCBCK-UHFFFAOYSA-N	305.327	0.842	70	10	DCIE	
Nc1cc(Cl)ccc1C(=O)NC1CN(S(=O)(=O)F)C1	2271330033	PHFBEYOWHUVHON-UHFFFAOYSA-N	307.734	0.551	70	10	DCIE	
COc1cc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)ccn1	2287079584	MUVCXSLEBPIAJB-SECBINFHSA-N	303.315	0.109	70	10	DCIE	
C[C@H]1C[C@H](OCCS(=O)(=O)Cl)C[C@@H](C)S1(=O)=O	2307469013	CPODOPMHFQURNE-AYMMMOKOSA-N	304.817	0.926	70	10	DCIE	
CO[C@H]1C[C@H](NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	706669120	QWWTYUXMZBIJPV-LJGSYFOKSA-N	307.759	0.553	70	10	DCIE	
O=S(=O)(Cl)c1nnc(C[C@H]2COCCO2)n1C1CC1	1916698099	HHBVZTVAFNKPQD-QMMMGPOBSA-N	307.759	0.498	70	10	DCIE	
C/C=C(/C)C(=O)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1703143431	MUDVDCOZDNRWKI-BAQGIRSFSA-N	317.342	0.485	70	10	DCIE	
O=C(NC[C@H](O)c1ccccc1F)N[C@@H]1CCc2ncnn2C1	161330226	IVYOTMXSCCHUHN-MFKMUULPSA-N	319.340	0.765	70	10	DCIE	
COCCNCc1ccc(S(=O)(=O)NCCOC(C)C)o1	161489533	ZABAXZXVIMXFNL-UHFFFAOYSA-N	320.411	0.719	70	10	DCIE	
CCOC(CCN1CCOC[C@H]1C(=O)NC1CC1)OCC	160135401	KPOURIWNJWNOEB-ZDUSSCGKSA-N	300.399	0.755	70	10	DCIE	
CC1(C)C[C@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)CO1	1974394149	DQRGJHSUFOBKHS-VIFPVBQESA-N	308.375	0.596	70	10	DCIE	
CC(C)n1c([C@@H]2CN(C)CCN2C)nnc1S(=O)(=O)Cl	2155750231	WQTHNVGUULQHFU-VIFPVBQESA-N	321.834	0.705	70	10	DCIE	
CC(C)n1c([C@H]2CN(C)CCN2C)nnc1S(=O)(=O)Cl	2155750228	WQTHNVGUULQHFU-SECBINFHSA-N	321.834	0.705	70	10	DCIE	
COc1nc(N2CCS(=O)(=O)C[C@H]2C)ncc1[B-](F)(F)F	2172766633	JJBZMMIJLPZSEM-SSDOTTSWSA-N	324.113	0.163	70	10	DCIE	
CO[C@@H]1CN(c2nc(C)ncc2[B-](F)(F)F)[C@H]2COC[C@@H]12	2172766209	CRLYDKXSEJSYHP-DVVUODLYSA-N	302.085	0.689	70	10	DCIE	
C[C@@H]1CN(C(F)(F)COS(=O)(=O)C(F)(F)F)C[C@@H]1N	852749752	DUPJQGUSHQYMFM-RITPCOANSA-N	312.260	0.724	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1[C@H]2CCC(F)(F)[C@H]21	2170856974	NYEXBVSSFIHZFF-IWSPIJDZSA-N	312.313	0.540	70	10	DCIE	
CCCn1c(CCS(C)(=O)=O)nnc1S(=O)(=O)Cl	2057674831	LHKUZVHJPVZGQX-UHFFFAOYSA-N	315.804	0.203	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ncnc2cccnc12	2093521995	CDHJIZACKUTLJC-UHFFFAOYSA-N	321.767	0.367	70	10	DCIE	
CCCN(c1ncncc1[B-](F)(F)F)[C@@H]1CCS(=O)(=O)C1	2201894846	UPHIFYRDLIEPKT-SECBINFHSA-N	322.141	0.935	70	10	DCIE	
O=C([C@H]1OCC[C@@H]1C(F)(F)F)N1CC(CS(=O)(=O)F)C1	2240546721	JLNWVDORTDMUCF-YUMQZZPRSA-N	319.276	0.712	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CC(C[S@@](C)=O)C2)n1	2265932527	QMWMBZIFBKCGHQ-HXUWFJFHSA-N	307.126	0.959	70	10	DCIE	
COC1(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CCCCC1	2287077825	FTUAWGNAXUFDSO-JTQLQIEISA-N	308.375	0.741	70	10	DCIE	
C[C@@H](C[S@](C)=O)NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	135264009	LATVJKSJHHOTJF-QVHKOIDPSA-N	312.800	0.439	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2COCC2(C)C)[nH]1	2361337673	AKCXQFCSDOQIKC-SSDOTTSWSA-N	305.331	0.111	70	10	DCIE	
NC(=O)[C@H](N)CN1C(=O)C(=O)c2cc(C(F)(F)F)ccc21	216910061	MVEVXSQVWBANEE-SSDOTTSWSA-N	301.224	0.047	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)CCCS(C)(=O)=O	694192686	DWCAJEPKPQEGQG-UHFFFAOYSA-N	305.849	0.702	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCC(=O)N(C)C	2125953241	HISWCNDGMQUYLK-UHFFFAOYSA-N	309.775	0.435	70	10	DCIE	
Cc1n[nH]c(S(=O)(=O)NCC(C)(C)CN(C)C)c1CO	217297573	MLBXLMYQCUDGKC-UHFFFAOYSA-N	304.416	0.077	70	10	DCIE	
C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCCF	1480538169	JDYUBWRWFWAUHT-QMMMGPOBSA-N	309.338	0.740	70	10	DCIE	
Cc1noc2ncc(S(=O)(=O)N[C@H]3CCC(=O)N(C)C3)cc12	160047080	ISLWVVXKVCNHPZ-VIFPVBQESA-N	324.362	0.430	70	10	DCIE	
CCc1n[nH]c(=O)c(CNC(=O)NC[C@H](O)C(C)C)c1CC	160413994	AIKUHRMVCNNKLI-ZDUSSCGKSA-N	310.398	0.711	70	10	DCIE	
CC(C)(C)C(=O)NCCC(=O)NC[C@H](O)CN1CCCCC1	160697832	LAIKAXHRQUBJRQ-ZDUSSCGKSA-N	313.442	0.502	70	10	DCIE	
NC(=O)NC(=O)COc1ccc(S(=O)(=O)F)cc1Cl	1875880693	KJFALCBOKPBJBQ-UHFFFAOYSA-N	310.690	0.572	70	10	DCIE	
Cn1cc(Cl)c(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)n1	1968227322	MUGJAQDNMJQQFR-SSDOTTSWSA-N	309.750	0.977	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NC[C@H]2CCN(C)C2)c1F	159475924	WWCMHZDDSJIMRA-SNVBAGLBSA-N	301.387	0.946	70	10	DCIE	
C[C@H](CO)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1	160400889	BTZHVNNZRIRFLO-RKDXNWHRSA-N	304.368	0.277	70	10	DCIE	
O=C1C[C@@]2(CCCN3CCSC[C@H]32)N1S(=O)(=O)Cl	717781020	IBIOMIRRUPMSPD-WCBMZHEXSA-N	310.828	0.652	70	10	DCIE	
CS(=O)(=O)N[C@@H]1CCCN(c2ncccc2[B-](F)(F)F)C1	2172786323	ZGVABQGTBFJULB-SECBINFHSA-N	322.141	0.654	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@@]23CCOC3)c1S(=O)(=O)Cl	2198310648	KLPROWUNXKPGHE-RDDDGLTNSA-N	319.770	0.554	70	10	DCIE	
CCn1nc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cc1C	2287070614	UYDUDCQTXLCBDR-SECBINFHSA-N	304.347	0.230	70	10	DCIE	
CC(C)[C@@H]1CC[C@@H](O)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217973451	DAVRTQUTAMZSPG-RBSFLKMASA-N	318.483	0.997	70	10	DCIE	
CN(C)C(=O)N1CCc2onc(CS(=O)(=O)Cl)c2C1	725252720	OIPHUOXAZKQDGI-UHFFFAOYSA-N	307.759	0.783	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CCN1C(=O)CCC1=O	692439601	DIBVFYLYHWHXPH-UHFFFAOYSA-N	319.770	0.522	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1C[C@H]1C1CC1	2135229380	LJPBCCBUDAXXQW-YUMQZZPRSA-N	304.755	0.923	70	10	DCIE	
C=CCN(C)[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1717489562	UIJUEVSBQSVDGU-VIFPVBQESA-N	303.359	0.909	70	10	DCIE	
C[C@@H]1OCC[C@H]1N(C)C(=O)c1ccc(S(N)(=O)=O)cc1F	160509064	KLGDKEAAKNRJGH-QPUJVOFHSA-N	316.354	0.723	70	10	DCIE	
O=C1CC[C@@H]2CN(C(=O)CCN3CCSC3=O)CC[C@H]2N1	160596396	YUYRTJRPIDJZEU-GHMZBOCLSA-N	311.407	0.672	70	10	DCIE	
O=C(COCc1ccccc1)N1CC(CS(=O)(=O)F)C1	1968216165	TWWKFCPGIGQFGM-UHFFFAOYSA-N	301.339	0.961	70	10	DCIE	
CN1CC(N(C)S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	2145488046	IFSUORJGBLFCBW-UHFFFAOYSA-N	322.383	0.279	70	10	DCIE	
CC(C)(C(=O)NCC1CN(S(=O)(=O)F)C1)[C@@H]1CCCO1	1974055391	QMHIYQGILZEWSW-JTQLQIEISA-N	308.375	0.454	70	10	DCIE	
CC(C)[C@H](N)CCN(C)c1cnn(CCO)c(=O)c1Cl	159969596	KTFFMAMKRNGJQW-SNVBAGLBSA-N	302.806	0.699	70	10	DCIE	
C[C@H]1CC[C@@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)OC1	2172992462	HFBAPRGTKUWRON-YUMQZZPRSA-N	322.770	0.692	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@H]1OCC[C@H]1F	2179095175	FVUNUGXYVWQUQX-PSASIEDQSA-N	324.761	0.809	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2191019721	GFCIXILFVFONBW-KQKFNCTQSA-N	302.371	0.683	70	10	DCIE	
Cc1csc(=O)n1CCCC(=O)N1CC(S(=O)(=O)F)C1	2199689271	PPGNOPDANANYFO-UHFFFAOYSA-N	322.383	0.509	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@@H]1OC[C@H]2CCO[C@H]12	2089696389	OYIUSRKHTFVADF-YWVKMMECSA-N	306.771	0.923	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1[C@@H]1CC(=O)N(C)C1=O	2096085058	YKSUCXIRAKHOPS-ZCFIWIBFSA-N	305.743	0.303	70	10	DCIE	
C[C@@H]1[C@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)C1(F)F	2112724795	NPZPPKHCBPZULN-HTRCEHHLSA-N	300.302	0.683	70	10	DCIE	
Cc1ncnc(C(=O)N2CCN(S(=O)(=O)F)CC2)c1C	2206519756	FHNOAMOVELTZSL-UHFFFAOYSA-N	302.331	0.066	70	10	DCIE	
Cn1cc(Cl)c(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)n1	2271493997	GNXFPKUMAWJNJC-ZCFIWIBFSA-N	310.738	0.092	70	10	DCIE	
O=C(NC[C@@]1(F)CCOC1)c1cc(S(=O)(=O)Cl)c[nH]1	2229945454	NAHCHZHFFQXPCR-JTQLQIEISA-N	310.734	0.801	70	10	DCIE	
Cn1nc(I)cc1CS(=O)(=O)F	2297001026	FQBCSHIECNFGGK-UHFFFAOYSA-N	304.084	0.824	70	10	DCIE	
O=C(CC[C@H]1CCCCO1)N[C@@H]1CCN(S(=O)(=O)F)C1	2287077634	WZUXFAODCMVQIF-GHMZBOCLSA-N	308.375	0.741	70	10	DCIE	
CN(C[C@H]1CCS(=O)(=O)C1)c1ncncc1[B-](F)(F)F	2116139377	YTTDWNQCLHFBKT-MRVPVSSYSA-N	308.114	0.402	70	10	DCIE	
C#CCCNCCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1723122853	KGRVDMQXZDBSHN-UHFFFAOYSA-N	315.370	0.748	70	10	DCIE	
O=C(N[C@]12CCOC[C@H]1C2)c1cc(S(=O)(=O)Cl)c[nH]1	1880189585	YFMVOQUMYAYNOY-HQJQHLMTSA-N	304.755	0.851	70	10	DCIE	
CCc1ncncc1C(=O)N1CCC[C@@H](S(=O)(=O)F)C1	1968226410	BNQINYTZSDHPSG-SECBINFHSA-N	301.343	0.943	70	10	DCIE	
COc1cccc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)n1	1968227596	PPOSQZNEJVJDTK-SECBINFHSA-N	302.327	0.994	70	10	DCIE	
O=C(Cc1ccc(O)c(O)c1)N1CC(CS(=O)(=O)F)C1	2199682204	FUKRIUNIGBTDKS-UHFFFAOYSA-N	303.311	0.398	70	10	DCIE	
N#Cc1ccccc1S(=O)(=O)N1CC(CS(=O)(=O)F)C1	2199686413	PAEMFOMTPSJFOH-UHFFFAOYSA-N	318.351	0.478	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@@H]1OC[C@@H]2CCO[C@@H]21	2089696387	OYIUSRKHTFVADF-QXEWZRGKSA-N	306.771	0.923	70	10	DCIE	
O=C(N[C@H]1C[C@H]2CO[C@H]1C2)c1cc(S(=O)(=O)Cl)c[nH]1	2270753963	PBQKAKWOSXJFPM-PMVVWTBXSA-N	304.755	0.849	70	10	DCIE	
CC1CCC(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)CC1	2268777805	IEDNUOOICQBKRF-UHFFFAOYSA-N	314.404	0.383	70	10	DCIE	
CC(C)c1conc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287075527	DJDPWLHSXHEXKR-MRVPVSSYSA-N	305.331	0.816	70	10	DCIE	
Cn1cc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)cn1	135326660	WPESTHGXYCKWOK-UHFFFAOYSA-N	305.703	0.501	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@H]1CCCO1	115016339	TVSXTVAEXBLIEE-MRVPVSSYSA-N	306.771	0.861	70	10	DCIE	
CC(C)S(=O)(=O)CCn1cc(S(=O)(=O)Cl)cn1	232961095	DEWVFUIKHZLXFD-UHFFFAOYSA-N	300.789	0.634	70	10	DCIE	
CCc1[nH]nc(C(=O)OCC2CN(C)C2)c1S(=O)(=O)Cl	2360511307	UOTVBGJLBVYLGI-UHFFFAOYSA-N	321.786	0.618	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC[C@@H]2C[C@H]1CO2	2359646939	HDYHERNDZPEVCY-LNFKQOIKSA-N	306.359	0.206	70	10	DCIE	
CCOc1ncccc1C(=O)NC[C@H](O)Cn1ccccc1=O	218440409	RSDZHNMUGOIIBA-LBPRGKRZSA-N	317.345	0.433	70	10	DCIE	
C[C@H](Br)CC(=O)NCC1CN(S(=O)(=O)F)C1	1901501978	KXMGCMSICCOCAQ-LURJTMIESA-N	317.180	0.422	70	10	DCIE	
C=CCNC(=O)[C@H](C)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215926889	HUGYVPLRJHLQSA-LURJTMIESA-N	322.730	0.582	70	10	DCIE	
CCCN(C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl)C1COC1	1915652034	QCRIOTOCPACVEP-UHFFFAOYSA-N	321.786	0.897	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C2CCSCC2)[nH]1	1923155151	AGGSIYSIRYZFCP-UHFFFAOYSA-N	307.372	0.582	70	10	DCIE	
Cn1cc(C(=O)CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1	1653024519	IKNVXIGILGCBPA-UHFFFAOYSA-N	314.298	0.019	70	10	DCIE	
CCC(CC)CN(CC(=O)OC)C(=O)COC1(C)CNC1	161121201	XGUSFMBYFJKJAL-UHFFFAOYSA-N	300.399	0.803	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@H]2CN3CCC2CC3)cc1N	159559292	FUFRKDYKUWQSAW-ZDUSSCGKSA-N	310.423	0.683	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(C)Cc2cnn(C)c2)cc1N	159587115	LMXWCPJEWWOTII-UHFFFAOYSA-N	309.395	0.547	70	10	DCIE	
COc1nc(C(=O)NC2CCN(S(=O)(=O)F)CC2)co1	1974394518	KDVHYZHRBSMETD-UHFFFAOYSA-N	307.303	0.092	70	10	DCIE	
CN([C@H]1CCOC1)S(=O)(=O)Cc1cccc(C(N)=S)c1	159444764	AJRKFNSNXMQTJB-LBPRGKRZSA-N	314.432	0.871	70	10	DCIE	
CNC(=O)[C@H]1COCCN1c1ccc(Cl)cc1C(N)=S	159800265	NLVVYWONRCWRHG-LLVKDONJSA-N	313.810	0.925	70	10	DCIE	
CN([C@@H]1CCOC1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	166224894	WHJXSKPEZHWWAL-SECBINFHSA-N	323.367	0.754	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CCC[C@H]1CCOC1	401120849	LJVWZAPWAUDXBO-QMMMGPOBSA-N	322.770	0.693	70	10	DCIE	
CN1CCN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)[C@H]2CC[C@H]21	2168348738	UQZJYFZEYHXRSK-MNOVXSKESA-N	317.798	0.861	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2[C@H]3OCCC[C@@H]32)c1S(=O)(=O)Cl	2176539535	QXLAKSJCMXVAST-BHNWBGBOSA-N	319.770	0.553	70	10	DCIE	
O=C(c1ccn(C2CC2)n1)N1CCN(S(=O)(=O)F)CC1	2186806919	QEXUROQKLAXWJK-UHFFFAOYSA-N	302.331	0.190	70	10	DCIE	
Cc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)F)C2)o1	2271515951	LJBFWLOCRRAJDP-QMMMGPOBSA-N	312.344	0.155	70	10	DCIE	
COc1ncc(Cl)cc1C(=O)NC1CN(S(=O)(=O)F)C1	2284141791	JNOXFZOZZRKTMV-UHFFFAOYSA-N	323.733	0.372	70	10	DCIE	
NS(=O)(=O)c1ccccc1SCCS(=O)(=O)Cl	112083659	LSMUIHQMGBPDGL-UHFFFAOYSA-N	315.825	0.995	70	10	DCIE	
CCc1[nH]nc(C(=O)N(C)C[C@H]2CCO2)c1S(=O)(=O)Cl	2366929877	IGXPQIKSBNRHSE-SSDOTTSWSA-N	321.786	0.761	70	10	DCIE	
O=C(Nc1ncc2c(n1)COC2)c1cc(S(=O)(=O)F)c[nH]1	1132163519	XBKKOWNXECJDQQ-UHFFFAOYSA-N	312.282	0.745	70	10	DCIE	
CC(C)C(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	780367366	ZJYUTEMWJOZABA-UHFFFAOYSA-N	324.355	0.310	70	10	DCIE	
O=C(N1CC[C@H](S(=O)(=O)F)C1)C(F)(F)[C@H]1CCOC1	2128779928	BXLMLKLIGPSMCW-YUMQZZPRSA-N	301.286	0.558	70	10	DCIE	
COCc1cnccc1-c1nnc(S(=O)(=O)Cl)n1C	2129425732	VTODMDNFSBEKSL-UHFFFAOYSA-N	302.743	0.951	70	10	DCIE	
CCCn1c(C[C@H]2COCCO2)nnc1S(=O)(=O)Cl	1916699932	KRAMRWRHLQSHBV-QMMMGPOBSA-N	309.775	0.574	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](O)C(F)(F)C1	1520303589	VPKVVIQHTPLTDI-MRVPVSSYSA-N	312.269	0.515	70	10	DCIE	
C[C@@H](CO)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	160360825	QKPUBQOXVITKQF-WDEREUQCSA-N	314.407	0.684	70	10	DCIE	
Cc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)nc(C)n1	1968236372	VNDZCRAZZLSPDY-SNVBAGLBSA-N	301.343	0.997	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2CCN(S(C)(=O)=O)CC2)n1	2172758901	WPSKWBMNHCEUDC-UHFFFAOYSA-N	322.141	0.526	70	10	DCIE	
CO[C@H]1CN(c2nc(C)nc(C)c2[B-](F)(F)F)C[C@H]1OC	2172765152	NGEZPUGYEOILMS-AOOOYVTPSA-N	304.101	0.998	70	10	DCIE	
Cc1[nH]nc(C(=O)NC2CC3(COC3)C2)c1S(=O)(=O)Cl	2182207242	JUHRMVZALCSQFU-UHFFFAOYSA-N	319.770	0.554	70	10	DCIE	
O=C(C[C@H]1C[C@@H]1C(F)(F)F)NCC1CN(S(=O)(=O)F)C1	2185243942	VIJNQJTUIUNWBF-SFYZADRCSA-N	318.292	0.837	70	10	DCIE	
CC[C@@H]1CC[C@H](NC)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217971283	JGHINTYWXWDYKA-KFWWJZLASA-N	317.499	0.978	70	10	DCIE	
CCNC(=O)NC(=O)[C@H](C)n1cc(S(=O)(=O)Cl)nc1C	215803307	AUFIIXFNHCZXOQ-LURJTMIESA-N	322.774	0.526	70	10	DCIE	
CC(C)(C)OC(=O)N[C@H]1Cc2cnc(S(C)(=O)=O)nc2C1	217920912	ZAWNMIJOGXDICI-VIFPVBQESA-N	313.379	0.872	70	10	DCIE	
COCCn1c([C@@H]2CCO[C@@H]2C)nnc1S(=O)(=O)Cl	133334624	VMAWDUSKJIVCCW-HTQZYQBOSA-N	309.775	0.744	70	10	DCIE	
O=C(c1cc(O)ccc1O)N1CCN(S(=O)(=O)F)CC1	2163655546	NZABSJLIDIGFDY-UHFFFAOYSA-N	304.299	0.070	70	10	DCIE	
O=C(Nc1cnc2c(c1)CNC2=O)c1cc(S(=O)(=O)F)c[nH]1	1134842153	TYXFVQHECNEUNM-UHFFFAOYSA-N	324.293	0.564	70	10	DCIE	
C[C@H](CC(N)=O)NC(=O)c1ccc(S(=O)(=O)F)cc1Cl	1436282396	UCWCRJBGKMYBES-ZCFIWIBFSA-N	322.745	0.992	70	10	DCIE	
CCc1[nH]nc(C(=O)N(C)C2COC2)c1S(=O)(=O)Cl	1915686908	ODTSUCBTKFFGLE-UHFFFAOYSA-N	307.759	0.370	70	10	DCIE	
COCCNCCn1nnnc1SC[C@@H]1CCC(C)(C)O1	161052096	HQBCMEZZGYDHAT-NSHDSACASA-N	315.443	0.959	70	10	DCIE	
CN(CCC(=O)c1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1	161173955	MKRXTGRODCSNQR-NSHDSACASA-N	300.355	0.912	70	10	DCIE	
CN1CCN(c2cc(C(=O)N[C@H]3CCC[C@@H]3O)ccn2)CC1	161209842	CMNDWNLFSFLFNG-KBPBESRZSA-N	304.394	0.477	70	10	DCIE	
Cc1cnn(CCNC(=O)NC[C@H](C)CN2CCOCC2)c1	160288527	SXVITOVSEBIMDF-ZDUSSCGKSA-N	309.414	0.459	70	10	DCIE	
COCCOCCCCN1C(=O)NC(=O)[C@H](C(C)C)C1=O	160594843	YMKQCZYHKXXAOF-NSHDSACASA-N	300.355	0.780	70	10	DCIE	
COC[C@H](O)CCNC(=O)C[C@H](NC(C)=O)c1ccccc1	160880717	RDECCRSAIAEISW-CABCVRRESA-N	308.378	0.768	70	10	DCIE	
O=C(CN1CCOC[C@@H]1C[C@@H](O)c1ccco1)N1CCOCC1	159387458	JDOAPNLAYLCCJE-UONOGXRCSA-N	324.377	0.263	70	10	DCIE	
Cc1[nH]nc(C(=O)NCCOCC2CC2)c1S(=O)(=O)Cl	235847031	HYJKQXARNNSBHO-UHFFFAOYSA-N	321.786	0.802	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cc(Cl)ccn1	1974057830	ARUKNFPPLQKKQZ-UHFFFAOYSA-N	307.734	0.611	70	10	DCIE	
C[C@H](C(=O)NC1CCN(S(=O)(=O)F)CC1)C(F)(F)F	1974395230	XNRPKNRGTQDUST-ZCFIWIBFSA-N	306.281	0.980	70	10	DCIE	
Cc1nccnc1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394797	PJEIDDATGDLIOG-UHFFFAOYSA-N	302.331	0.194	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H](F)C(F)(F)F	1974402630	PKFMMISNYCWVLE-ZCFIWIBFSA-N	310.244	0.682	70	10	DCIE	
CC(=O)NCCCCCC(=O)N1CC[C@H](S(=O)(=O)F)C1	2144734015	WHOBEBVWBCNANU-NSHDSACASA-N	308.375	0.583	70	10	DCIE	
O=S1(=O)CC[C@]2(CCCN2c2ncncc2[B-](F)(F)F)C1	2172773019	VTEPWSSLHYTLMS-LLVKDONJSA-N	320.125	0.689	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1C[C@H]1C(F)F	2112725669	ZBPOPUOUXXHHKD-SFYZADRCSA-N	300.302	0.683	70	10	DCIE	
CCc1[nH]nc(C(=O)OC[C@@H]2CCN2C)c1S(=O)(=O)Cl	2360511348	UYBOUQGSLYTURI-ZETCQYMHSA-N	321.786	0.761	70	10	DCIE	
C#C[C@]1(O)CCN(C(=O)c2ccccc2S(=O)(=O)Cl)C1	707974223	GLVHHXGZVPJKOO-ZDUSSCGKSA-N	313.762	0.824	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCCCC(N)=O	2125952941	CXGRLBHRQPBSPK-UHFFFAOYSA-N	309.775	0.613	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@@H]1CCCNC1=O	2125953054	FFNZZFTXZJHHJW-SSDOTTSWSA-N	307.759	0.408	70	10	DCIE	
Cc1cc(C[C@@H](C)NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)n[nH]1	161182492	SORNLPFDAJZMOT-KOLCDFICSA-N	316.365	0.542	70	10	DCIE	
Cn1cc(C(N)=O)cc1C(=O)N1CC[C@H](Oc2cccnc2)C1	161373263	MMVMRJPFSPZLQS-ZDUSSCGKSA-N	314.345	0.813	70	10	DCIE	
CCn1cnc(S(=O)(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)c1	160711701	BYUDCBQEWPCXSE-GHMZBOCLSA-N	312.395	0.192	70	10	DCIE	
CCn1ncnc1Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	160854859	CABMXNUAXDHBHR-UHFFFAOYSA-N	320.718	0.379	70	10	DCIE	
CNC[C@H]1CN(c2cnn(CC(C)C)c(=O)c2Cl)CCO1	159848093	WMEWYTQYWWRFES-NSHDSACASA-N	314.817	0.977	70	10	DCIE	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(S(=O)(=O)F)C1	1883852199	VWDWWGQEFCJOCT-SSDOTTSWSA-N	310.347	0.410	70	10	DCIE	
COc1nn(C)cc1C(=O)N1CCC[C@@H](S(=O)(=O)F)C1	1968235932	QPGGLVDWNAZTLF-MRVPVSSYSA-N	305.331	0.333	70	10	DCIE	
Cn1ncc(Cl)c1C(=O)N1CCC(S(=O)(=O)F)CC1	1968218531	WETNOORUASPKNV-UHFFFAOYSA-N	309.750	0.977	70	10	DCIE	
O=C(CCOCC(F)(F)F)NCC1CN(S(=O)(=O)F)C1	1974058217	DBTZUFQWNDLHCF-UHFFFAOYSA-N	322.280	0.218	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)c1S(=O)(=O)Cl	2151829493	FKBSYGYLIIUDOB-PRJMDXOYSA-N	319.770	0.553	70	10	DCIE	
CN(CC1[C@@H]2CS(=O)(=O)C[C@@H]12)c1ccncc1[B-](F)(F)F	2174648305	LQXYHCGQWAWWSM-UWVGGRQHSA-N	319.137	0.863	70	10	DCIE	
CN(c1ncncc1[B-](F)(F)F)[C@H]1CO[C@]2(CCOC2)C1	2178997280	WKFFPRBHCHAQSA-BXKDBHETSA-N	302.085	0.915	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1CC(=O)N1CCC1	2182344666	SEVLJESQBFCFQS-UHFFFAOYSA-N	321.786	0.579	70	10	DCIE	
COC[C@@H]1C[C@H]1CNC(=O)c1cc(S(=O)(=O)Cl)cn1C	2189953699	MLFNQJFJGSDDCO-IUCAKERBSA-N	320.798	0.965	70	10	DCIE	
Cc1nscc1CC(=O)NCC1CN(S(=O)(=O)F)C1	2265444825	MRSOLCLCCHMXOB-UHFFFAOYSA-N	307.372	0.256	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccc([N+](=O)[O-])cc1	2284151008	NPHLHPXGCGWVSN-UHFFFAOYSA-N	303.271	0.223	70	10	DCIE	
CC1(C)CCC[C@@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)O1	2287079945	OUGGOFDRKWVKCI-UWVGGRQHSA-N	308.375	0.739	70	10	DCIE	
CS[C@@H](C(=O)NC1CCN(S(=O)(=O)F)CC1)C1CC1	2335902015	KKKMAOXIVXHAJO-SNVBAGLBSA-N	310.416	0.923	70	10	DCIE	
O=C([C@H]1CC[C@@H]2C[C@H]1CO2)N1CCN(S(=O)(=O)F)CC1	2359092095	JNKITDPKYRCGHZ-AXFHLTTASA-N	306.359	0.160	70	10	DCIE	
CC#CCNC/C=C/CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1274367518	CAWFAIIFYCUGSN-SNAWJCMRSA-N	313.354	0.572	70	10	DCIE	
O=S1(=O)C[C@@H]2CC(OS(=O)(=O)C(F)(F)F)C[C@H]2C1	1953259102	PKRMAVAOMDLOHM-WDSKDSINSA-N	308.299	0.676	70	10	DCIE	
CNC(=O)CCOc1ccc(C(=O)O)cc1S(=O)(=O)Cl	215670740	IPJNSZALGFEFEV-UHFFFAOYSA-N	321.738	0.827	70	10	DCIE	
CC(C)(C)OC(=O)N(O)CC(=O)N1CC(S(=O)(=O)F)C1	1883850234	CXZFYHDVWXYTRW-UHFFFAOYSA-N	312.319	0.123	70	10	DCIE	
CN(C)CC(C)(C)CNS(=O)(=O)c1cc(CO)n(C)c1	217297554	CSPMTVIERNPGPB-UHFFFAOYSA-N	303.428	0.384	70	10	DCIE	
COc1cccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)c1	2134974713	JIFUFCQXWFKFMK-UHFFFAOYSA-N	309.340	0.367	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)[C@@H]2CCC[C@H]2F)C1	2134974678	IXPYYGJFKHUJJI-NXEZZACHSA-N	317.379	0.828	70	10	DCIE	
Cc1ccc(-c2nnnn2CC(N)=O)cc1S(=O)(=O)Cl	585862058	VXRNYQJXKIQFOF-UHFFFAOYSA-N	315.742	0.061	70	10	DCIE	
COCCNC[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1732359803	GFWHYPGECKUUOJ-VIFPVBQESA-N	321.374	0.275	70	10	DCIE	
COC[C@@H](O)CCNC(=O)c1cnc(-c2cnn(C)c2)s1	161296824	QSGWPOKCDVJYLA-JTQLQIEISA-N	310.379	0.671	70	10	DCIE	
O=C(NC1(CO)CC1)c1cccc(S(=O)(=O)NCC2CC2)c1	160244196	MMWHUDCAQTWSBY-UHFFFAOYSA-N	324.402	0.630	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCCNC(=O)C2CC2)cc1N	160670739	LYTUICBPRIUWOB-UHFFFAOYSA-N	312.395	0.115	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)c1F	159483113	CSDROXYZOPZZBJ-SNVBAGLBSA-N	315.370	0.745	70	10	DCIE	
CCC[C@@H](C(=O)N1CCOC[C@@H]1C(=O)NC(C)C)C(N)=S	159786332	JRTDKXYXODNLBA-GHMZBOCLSA-N	315.439	0.441	70	10	DCIE	
COc1nn(Cc2nc(C)no2)c(OC)c1S(=O)(=O)Cl	2149827145	MLBMQLVMEAPVFI-UHFFFAOYSA-N	322.730	0.568	70	10	DCIE	
C[C@@H]1OC2(C)CC1(C(=O)NCC1CN(S(=O)(=O)F)C1)C2	1974055126	MYVGEWKVQFRTRS-RKWZHAFESA-N	306.359	0.206	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1cncc(F)c1	1974394698	NTNJZSCYKXPTRG-UHFFFAOYSA-N	305.306	0.629	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1ccc(F)nc1	1974402848	RKDABCBPMDNKKN-UHFFFAOYSA-N	305.306	0.629	70	10	DCIE	
C[C@@H]1CS(=O)(=O)CCN1CCC[C@@H](C)S(=O)(=O)Cl	2037933377	BBOIPFYZFCRKKT-NXEZZACHSA-N	317.860	0.843	70	10	DCIE	
COC[C@H](CN(C)C(=O)c1cc(S(=O)(=O)Cl)c[nH]1)OC	701014906	PJOOFPGUZXFOGS-QMMMGPOBSA-N	324.786	0.676	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C[C@]23CC3(F)F)[nH]1	2172026679	QCZQUAGWGKBVSF-ANLVUFKYSA-N	309.269	0.484	70	10	DCIE	
CO[C@@H]1C[C@@]2(C(=O)NC3CCN(S(=O)(=O)F)CC3)C[C@@H]12	2169025068	HLMRASHIWZEQHE-UMNHJUIQSA-N	306.359	0.206	70	10	DCIE	
CC(C)Cn1c([C@H]2CN(C)CCO2)nnc1S(=O)(=O)Cl	2187815035	MTKJNEAJZGAUML-SECBINFHSA-N	322.818	0.865	70	10	DCIE	
Cn1cc(C(=O)N2CC(CCS(=O)(=O)F)C2)ccc1=O	2199688526	MFXCBELPWRKFIB-UHFFFAOYSA-N	302.327	0.147	70	10	DCIE	
CCCN(c1ncc([B-](F)(F)F)cn1)[C@H]1CCS(=O)(=O)C1	2201891096	FELVCNPJYXROML-JTQLQIEISA-N	322.141	0.935	70	10	DCIE	
CC(C)Cn1c(C2COCCOC2)nnc1S(=O)(=O)Cl	2203650666	SPFZVUBSVCGEQD-UHFFFAOYSA-N	323.802	0.992	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C1CC2(CSC2)C1	2271484907	IOFLDTRTTOWXRY-VIFPVBQESA-N	308.400	0.534	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CC(CS(C)(=O)=O)C2)n1	2280489788	AREBREMIQFCNCV-UHFFFAOYSA-N	323.125	0.625	70	10	DCIE	
COCCn1c([C@@H]2C[C@H]3CC[C@@H]2O3)nnc1S(=O)(=O)Cl	2353900877	BIDASVXCQOEMBD-HLTSFMKQSA-N	321.786	0.887	70	10	DCIE	
O=C1CN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)CC(=O)N1	217765540	RANOHWVWKQSBLO-WAYWQWQTSA-N	314.750	0.599	70	10	DCIE	
CC(=O)CCNC(=O)NCCc1ccc(S(N)(=O)=O)cc1	217311814	WKYZVIFGUJHWBS-UHFFFAOYSA-N	313.379	0.155	70	10	DCIE	
C[C@](O)(CNC(=O)C(=O)NCC(F)(F)F)Cc1ccco1	217283243	RVNHGQRDIDZYFU-LLVKDONJSA-N	308.256	0.368	70	10	DCIE	
CC(=O)N1CCC(C(=O)N2CC(CS(=O)(=O)F)C2)CC1	2199697638	KRYBTNOSQVJANK-UHFFFAOYSA-N	306.359	0.003	70	10	DCIE	
CS(=O)(=O)C[C@H]1CCN(c2ncc([B-](F)(F)F)cn2)C1	2116147392	BZDJPZMWUXASMW-QMMMGPOBSA-N	308.114	0.402	70	10	DCIE	
Cn1c(-c2cnn3c2CCCC3)nnc1S(=O)(=O)Cl	2126931886	WMGSGQOYUBVNSQ-UHFFFAOYSA-N	301.759	0.942	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1OCC[C@H]1F	2122533291	SYSINPNANUIWQO-PHDIDXHHSA-N	312.706	0.003	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1C[C@@H]1C1CC1	2135229378	LJPBCCBUDAXXQW-JGVFFNPUSA-N	304.755	0.923	70	10	DCIE	
COCCN(CCO)S(=O)(=O)c1c(C)nn(C)c1Cl	161020335	KQCSCWMFUCNCKO-UHFFFAOYSA-N	311.791	0.011	70	10	DCIE	
Cc1ccccc1[C@H](O)CNC(=O)N[C@@H]1CCc2ncnn2C1	161300436	MIDVBILRVGYENL-TZMCWYRMSA-N	315.377	0.934	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1c1ncnc(Cl)c1CO	160099909	FGOWBTSOKIXHDW-JTQLQIEISA-N	314.773	0.352	70	10	DCIE	
COC[C@@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	163301027	DWCQPCJPLHFGSY-MRVPVSSYSA-N	311.356	0.658	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1c1c(F)cc(C(N)=S)cc1F	159802563	GGQYNTCYCOPMIL-JTQLQIEISA-N	315.345	0.550	70	10	DCIE	
C[C@@H](C(=O)NC1CCN(S(=O)(=O)F)CC1)C(F)(F)F	1974395229	XNRPKNRGTQDUST-LURJTMIESA-N	306.281	0.980	70	10	DCIE	
Cc1nc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)ncc1[B-](F)(F)F	2172770049	FVWTUZBQBMJTKV-WPRPVWTQSA-N	320.125	0.463	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1C[C@]12CCOC2	2198307250	ABVNJAWQZIGEGZ-PWSUYJOCSA-N	318.782	0.861	70	10	DCIE	
CO[C@H](C(=O)NC1CN(S(=O)(=O)F)C1)c1ccccc1	2284151607	RTOREOXKEQNQOH-NSHDSACASA-N	302.327	0.389	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)[C@H]1CC[C@@H](S(C)(=O)=O)C1	2314938299	NAMRKSHICBNHRM-VHSXEESVSA-N	317.860	0.843	70	10	DCIE	
COCCOCCNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	115016541	WXCMWJJLWNPYDB-UHFFFAOYSA-N	310.759	0.335	70	10	DCIE	
O=C([C@@H]1CC[C@@H]2C[C@H]1CO2)N1CC(CCS(=O)(=O)F)C1	2359088021	VEDXZQVEIPYDIK-QJPTWQEYSA-N	305.371	0.949	70	10	DCIE	
CN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)CC1CC1	1714560251	OKDJIKYGVVVQPQ-UHFFFAOYSA-N	303.359	0.745	70	10	DCIE	
Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1	160213396	JNCGKZSUAUSHBT-GHMZBOCLSA-N	314.411	0.359	70	10	DCIE	
NC(=S)c1ncccc1CN1CC[C@@H]2NC(=O)CC[C@@H]2C1	160302268	IACAOYNOEJIRBF-PWSUYJOCSA-N	304.419	0.816	70	10	DCIE	
O=C(NCCc1ccc(S(=O)(=O)Cl)s1)c1c[nH]nn1	159012698	DRIKEBXHFQUPGH-UHFFFAOYSA-N	320.783	0.766	70	10	DCIE	
COCCn1ncc(N[C@H]2[C@H]3OCC[C@@H]3[C@H]2N)c(Cl)c1=O	159708189	GGHOCPSKNULERB-PUYANOKMSA-N	314.773	0.070	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)[C@](C)(CC)C(N)=S	159777719	DPMHRFWXVQGRQH-QMTHXVAHSA-N	315.439	0.442	70	10	DCIE	
O=C(C[C@H]1CCCOCC1)N1CCN(S(=O)(=O)F)CC1	1974013951	CIEJXDKVXNRKAU-NSHDSACASA-N	308.375	0.552	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)CCC2CCNCC2)CCOC1	160541821	CQMNHJWMENNASB-CYBMUJFWSA-N	306.428	0.101	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1cnc2c(n1)CCC2	2028961388	JKWZQGQXZLZPNW-UHFFFAOYSA-N	310.784	0.308	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)n1	2172758528	RFDIRKDMJIGTTL-YUMQZZPRSA-N	322.141	0.851	70	10	DCIE	
COc1nc(N(C)Cc2ncnn2C)ncc1[B-](F)(F)F	2172771192	WKBWKMGYOVSWJJ-UHFFFAOYSA-N	301.061	0.305	70	10	DCIE	
COCC(=O)N1C[C@H](Oc2ccccc2F)C[C@@H]1C(=O)OC	217900045	SXWIKUQMKCQDQF-ZYHUDNBSSA-N	311.309	0.993	70	10	DCIE	
CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C[C@@H](O)COC)cc1	218037500	LIKPRZKUJIYYLK-WCQYABFASA-N	316.423	0.595	70	10	DCIE	
Cn1nnc(NC(=O)c2cc(S(=O)(=O)F)ccc2Cl)n1	1534842325	SZDRGHCACFXEBX-UHFFFAOYSA-N	319.705	0.774	70	10	DCIE	
N#CCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1C1CCC1	1922211209	WKZVHPXLFOTSPJ-UHFFFAOYSA-N	316.770	0.718	70	10	DCIE	
C=CCNC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1731674291	XHHSIWUYXRLXFL-SNVBAGLBSA-N	315.370	0.911	70	10	DCIE	
COC(=O)/C=C/[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1648137454	PQMKWHSCNDSVGK-KGGZQZJCSA-N	304.299	0.520	70	10	DCIE	
O=C(CNC(=O)c1ccccc1)NC[C@H](O)CN1CCCCC1	160382451	ZXWJMEUFEUCMRA-HNNXBMFYSA-N	319.405	0.379	70	10	DCIE	
O=C(CC[C@H]1CCCCO1)N1CCN(S(=O)(=O)F)CC1	1974001234	PIDGFWZQJNZHLW-LLVKDONJSA-N	308.375	0.694	70	10	DCIE	
CN(C)C1(CNC[C@@H](O)COc2cnsn2)CCCC1	160917930	GQLWNELSKCZTQO-LLVKDONJSA-N	300.428	0.742	70	10	DCIE	
CS(=O)(=O)C[C@H]1CCCN(CCCS(=O)(=O)Cl)C1	381287250	WQZICNLYPAHWJZ-JTQLQIEISA-N	317.860	0.702	70	10	DCIE	
COCCn1c(C[C@@H]2CCO[C@H]2C)nnc1S(=O)(=O)Cl	2196352232	JABPNLAZCARSAI-IUCAKERBSA-N	323.802	0.820	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1[C@@H]1CCN(C)C1=O	2182342764	COMZPZYIXLNQSR-MRVPVSSYSA-N	321.786	0.750	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCc1cccnn1	2182342635	CHCVYGWLRCCHBD-UHFFFAOYSA-N	316.770	0.990	70	10	DCIE	
CO[C@H](C(=O)N1CC(CS(=O)(=O)F)C1)C1CCOCC1	2199682534	KXSVWWYFUJQOHK-NSHDSACASA-N	309.359	0.186	70	10	DCIE	
N#Cc1ccc(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)cc1	2199686515	PUULJROCTFUTLP-UHFFFAOYSA-N	318.351	0.478	70	10	DCIE	
COCC1(CNC(=O)c2cc(S(=O)(=O)Cl)c[nH]2)COC1	2203123681	WSMGMGXXKFCNIE-UHFFFAOYSA-N	322.770	0.335	70	10	DCIE	
COCCNC(=O)c1ccc(OC)c(S(=O)(=O)Cl)c1	115017396	BYKMPRLCDCUBJZ-UHFFFAOYSA-N	307.755	0.999	70	10	DCIE	
Cc1cc(S(=O)(=O)Cl)ccc1OCC(=O)NC(N)=O	215971519	RUPKASDQSFTYLY-UHFFFAOYSA-N	306.727	0.496	70	10	DCIE	
COc1nc(OC)c([C@H]2CC(=O)N2S(=O)(=O)Cl)s1	381318733	VFMARKCARHXORL-SCSAIBSYSA-N	312.756	0.917	70	10	DCIE	
CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(CN)cs1	217586695	LRLMSRKLBRVROB-LLVKDONJSA-N	303.453	0.969	70	10	DCIE	
O=S(=O)(CCCO)NC1CCN(Cc2ccccc2)CC1	217923026	FSSBVTVMXRFHOV-UHFFFAOYSA-N	312.435	0.953	70	10	DCIE	
Cc1ccc(S(N)(=O)=O)c(C(=O)N(C)[C@@H]2CCO[C@@H]2C)c1	160509433	QGMUEBHUVJGCEX-ZYHUDNBSSA-N	312.391	0.892	70	10	DCIE	
C[C@H]1CCN(c2cnn(CCN(C)C)c(=O)c2Cl)C[C@@H]1N	159486807	VIJWBWQDKTXBHP-QWRGUYRKSA-N	313.833	0.632	70	10	DCIE	
COCCN1CCC[C@@H]1CNC(=O)N1CCC([C@H](C)O)CC1	159552978	LSULASOSTQDGOL-DZGCQCFKSA-N	313.442	0.900	70	10	DCIE	
COc1ccnc(C(=O)N2CCC(S(=O)(=O)F)CC2)c1	1968217070	GZRWHJRQBWHADE-UHFFFAOYSA-N	302.327	0.994	70	10	DCIE	
COc1nn([C@H]2CCCNC2=O)c(OC)c1S(=O)(=O)Cl	2149822585	NIHMZEFHVPNMHM-LURJTMIESA-N	323.758	0.279	70	10	DCIE	
O=C(c1ccc([N+](=O)[O-])cn1)N1CC(CS(=O)(=O)F)C1	1973028841	UPMOFEROODQMFV-UHFFFAOYSA-N	303.271	0.361	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)C(F)(F)C1CC1	1974394799	PKLFDSFPOCOMGU-UHFFFAOYSA-N	300.302	0.827	70	10	DCIE	
CNS(=O)(=O)c1ccc(CNCC(=O)NC(C)(C)C)o1	159853695	GTROUOHDGJEREP-UHFFFAOYSA-N	303.384	0.192	70	10	DCIE	
CCCNc1nnc(C(=O)N[C@H](C)CS(C)(=O)=O)s1	160340731	SZOCJGMECISJAH-SSDOTTSWSA-N	306.413	0.523	70	10	DCIE	
O=C([C@H]1CN2CCC1CC2)N1CCC[C@H](S(=O)(=O)F)C1	2150808532	QOCLLAILXSGRCM-RYUDHWBXSA-N	304.387	0.619	70	10	DCIE	
CN(C[C@@H]1CO[C@H]2COC[C@H]12)c1ncc([B-](F)(F)F)cn1	2172784681	FTJKEWUOXHLWOC-IEBDPFPHSA-N	302.085	0.629	70	10	DCIE	
Cc1nc(N(C)CCS(=O)(=O)N(C)C)ccc1[B-](F)(F)F	2172783208	BIHTVDIJPJGXIE-UHFFFAOYSA-N	324.157	0.772	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2CC(N(C)C3COC3)C2)n1	2173113350	IWONZIASUOZMHC-UHFFFAOYSA-N	300.113	0.964	70	10	DCIE	
O=C(C[C@H]1C[C@@H]1C(F)(F)F)N1CCN(S(=O)(=O)F)CC1	2185244051	WXNQJOXKZYBQHP-SFYZADRCSA-N	318.292	0.933	70	10	DCIE	
COC[C@H](C)S(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2110214326	DXCRPILNCYFRJB-ZETCQYMHSA-N	312.344	0.516	70	10	DCIE	
CC(C)CCS(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2112717803	ICUFHMCOSMKWMN-UHFFFAOYSA-N	316.420	0.631	70	10	DCIE	
COCc1csc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1	2287075369	CETKLFZWOPVFME-VIFPVBQESA-N	322.383	0.913	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@]12CCC[C@@H]1OCC2	2287075136	LIGJAENKMVXHHE-SCVCMEIPSA-N	306.359	0.350	70	10	DCIE	
COCCn1c(-c2ocnc2C)nnc1S(=O)(=O)Cl	133327632	YDGVPXNHMFOYKQ-UHFFFAOYSA-N	306.731	0.815	70	10	DCIE	
CO[C@H]1CC[C@H]1N(C)C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	724160380	KQMGKIQMTKVCNY-SFYZADRCSA-N	321.786	0.895	70	10	DCIE	
CC(C)(C)c1cc2ncn(CCS(=O)(=O)F)c(=O)n2n1	904999141	IPECZLNIYUZLHR-UHFFFAOYSA-N	302.331	0.488	70	10	DCIE	
CS(=O)(=O)CCCCn1cc(S(=O)(=O)Cl)cn1	689724868	GUTYIDIBSZVRHR-UHFFFAOYSA-N	300.789	0.635	70	10	DCIE	
CS(=O)(=O)N[C@@H]1CCN(c2ccncc2[B-](F)(F)F)C1	2116150559	SCJGCFDCYLJWSF-MRVPVSSYSA-N	308.114	0.264	70	10	DCIE	
CC(=O)N(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1737897665	ORIUJQMXUWEFND-UHFFFAOYSA-N	317.342	0.414	70	10	DCIE	
COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1OCC[C@@H]1C	160269779	DVSXQUFEPCXGBQ-UFBFGSQYSA-N	314.363	0.706	70	10	DCIE	
CCOC(=O)CCC(=O)N1CCOC[C@H]1C(=O)NC(C)C	159468262	ZDYMMUWYRWUGDD-NSHDSACASA-N	300.355	0.082	70	10	DCIE	
CN(C)S(=O)(=O)CCOc1ccc(S(=O)(=O)F)cc1	1875863433	IWBCFHIQAVXDAH-UHFFFAOYSA-N	311.356	0.615	70	10	DCIE	
O=C(c1c(F)cccc1[N+](=O)[O-])N1CC(S(=O)(=O)F)C1	1968215421	FYKWSMPTRBAZRE-UHFFFAOYSA-N	306.246	0.858	70	10	DCIE	
O=C([C@H]1COCCC1(F)F)N1CCC[C@@H](S(=O)(=O)F)C1	1973212430	HSWWFUKDWXQSCE-RKDXNWHRSA-N	315.313	0.949	70	10	DCIE	
Cn1c(C2CCS(=O)(=O)CC2)nnc1S(=O)(=O)Cl	2029370279	HLTYDSGJFSDPFY-UHFFFAOYSA-N	313.788	0.035	70	10	DCIE	
CO[C@@H]1C[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2188246575	MGZHJEVHVNWFGG-HTQZYQBOSA-N	321.786	0.753	70	10	DCIE	
CO[C@H]1CC[C@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2227913393	NJSJHOLTGJHJQA-BQBZGAKWSA-N	308.743	0.301	70	10	DCIE	
CCOc1nc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)co1	2287070890	VXNOOCKNGBDPBY-SSDOTTSWSA-N	307.303	0.092	70	10	DCIE	
C[C@@H](NC(=O)CCc1ccccc1)C(=O)NCc1cn[nH]n1	217346464	RVJHMBXYFZCAAP-LLVKDONJSA-N	301.350	0.558	70	10	DCIE	
CSc1ncccc1C(=O)NCC1CN(S(=O)(=O)F)C1	2164439698	YHLAVMRMBJCIMT-UHFFFAOYSA-N	319.383	0.679	70	10	DCIE	
CC(C)C(=O)N[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1284330746	BNCVLIPYTBESSY-MRVPVSSYSA-N	319.358	0.563	70	10	DCIE	
CC(=O)N[C@H](C(=O)Nc1ncc(S(=O)(=O)F)s1)C(C)C	1587490009	BHZHDKSVQNAWOC-QMMMGPOBSA-N	323.371	0.901	70	10	DCIE	
CN([C@H]1CCOC1)S(=O)(=O)N1CCC(CNC2CC2)CC1	161070555	PUPPGCAHSFRECX-AWEZNQCLSA-N	317.455	0.416	70	10	DCIE	
CCNc1ncccc1S(=O)(=O)NC[C@@]1(OC)CCOC1	161204292	BAQKBVNGOPTNTH-ZDUSSCGKSA-N	315.395	0.597	70	10	DCIE	
CCN1CCO[C@@H](C(=O)NCC(=O)c2ccc(OC)cc2)C1	160049645	RCHVFOBLHIRWRJ-OAHLLOKOSA-N	306.362	0.715	70	10	DCIE	
CCN(C(C)=O)c1nc(CNCCNC(=O)N(C)C)cs1	160768360	WCDXUZQIBZLNPB-UHFFFAOYSA-N	313.427	0.877	70	10	DCIE	
CCc1ccc(S(=O)(=O)NC[C@@]2(OC)CCOC2)cc1N	159901005	MZAVOQAUEMZUMS-AWEZNQCLSA-N	314.407	0.915	70	10	DCIE	
Cc1cc(C(=O)N2CCC(S(=O)(=O)F)CC2)c(C)nn1	1968218869	ZXLHIKPCOVOVFP-UHFFFAOYSA-N	301.343	0.997	70	10	DCIE	
C[C@@]1(C(=O)NCC2CN(S(=O)(=O)F)C2)C[C@H]1C(F)(F)F	1974054809	IYZGGJXCBOUTLC-VXNVDRBHSA-N	318.292	0.837	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cc(N)cc(F)c2)CCOC1	159895931	SYTYOODOJFIUJU-GFCCVEGCSA-N	304.343	0.492	70	10	DCIE	
C[S@](=O)C1(CNC(=O)c2cc(S(=O)(=O)Cl)c[nH]2)CC1	380261891	VZULEXQOLPWZLB-SFHVURJKSA-N	324.811	0.583	70	10	DCIE	
CCc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]3C2)c1S(=O)(=O)Cl	380730157	UHQUWYFKGNQIHW-BQBZGAKWSA-N	303.771	0.992	70	10	DCIE	
Cc1nscc1CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271488078	LMOCCBDAQXACEY-SECBINFHSA-N	307.372	0.399	70	10	DCIE	
CS(=O)(=O)C1CC(Cn2cnc(S(=O)(=O)Cl)c2)C1	2257552513	YXVLXBXRENUIOR-UHFFFAOYSA-N	312.800	0.634	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1O[C@@H]1CCN(S(C)(=O)=O)C1	2285600967	UAGRDALKJGYWMD-SNVBAGLBSA-N	323.125	0.857	70	10	DCIE	
CN1CCC(C)(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CC1	2287065296	LAXFKIANVGDUNE-JTQLQIEISA-N	307.391	0.123	70	10	DCIE	
CO[C@H](C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)C1CCCC1	2287064525	CVBZFEOSYKIHDX-QWRGUYRKSA-N	308.375	0.596	70	10	DCIE	
C[C@H](NC(=O)NC(=O)C1CCNCC1)Oc1ccc(O)cc1	217278009	NCNGWOQZZVQLEV-SNVBAGLBSA-N	307.350	0.942	70	10	DCIE	
CCc1c(C(=O)NCCCF)cnc2c1c(=O)n(C)c(=O)n2C	160458586	PSXBNWKQNFFOAR-UHFFFAOYSA-N	322.340	0.284	70	10	DCIE	
O=C(CCc1cccnc1)N1CCN(S(=O)(=O)F)CC1	1974000512	AXWXYOPSWFCGNJ-UHFFFAOYSA-N	301.343	0.373	70	10	DCIE	
Cc1nn(CCCN)c(C)c1S(=O)(=O)NC[C@H]1C[C@H]1C	160802514	NVYAOKOMNRVIBK-BXKDBHETSA-N	300.428	0.783	70	10	DCIE	
C[C@H](CCCN1C[C@H]2C[C@H]1CS2(=O)=O)S(=O)(=O)Cl	2037940461	XQHPSDDYLIPDGE-KXUCPTDWSA-N	315.844	0.595	70	10	DCIE	
O=C([C@@H]1C[C@@]12CCCOC2)N1CCN(S(=O)(=O)F)CC1	2198140398	FEIVXXKJQIKGCA-CMPLNLGQSA-N	306.359	0.162	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)Cc2ccccc2)C1	2088469752	QIPIKOOFBCHVAF-LLVKDONJSA-N	307.368	0.890	70	10	DCIE	
Cc1ccc(CC(=O)NC2CN(S(=O)(=O)F)C2)cc1C	2284149523	DDNCDJPIOHUTCY-UHFFFAOYSA-N	300.355	0.861	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)c1ccccc1F	124143979	ADZCAGJGCDSAKN-UHFFFAOYSA-N	301.748	0.673	70	10	DCIE	
CC[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)F)nc1	2166522681	ABJQAOYFMYGLMF-VIFPVBQESA-N	303.315	0.593	70	10	DCIE	
CSc1ncccc1C(=O)N1CCN(S(=O)(=O)F)CC1	2163664358	FMTUSQBKMJQNPA-UHFFFAOYSA-N	319.383	0.776	70	10	DCIE	
COCCn1c(-c2nn(C)cc2C)nnc1S(=O)(=O)Cl	723508564	YOHKODOISAXTJZ-UHFFFAOYSA-N	319.774	0.561	70	10	DCIE	
CCc1nn(Cc2nnnn2C)c(CC)c1S(=O)(=O)Cl	698617457	GMLXZPOYILFUNP-UHFFFAOYSA-N	318.790	0.507	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC(F)(F)C[C@H]1CO	1123648077	FLMCMROLHZGMGN-LURJTMIESA-N	312.269	0.515	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)[C@@H]2CCS(=O)(=O)C2)n1	2116129932	KDJGXTJITSXJDW-MRVPVSSYSA-N	308.114	0.463	70	10	DCIE	
CC(=O)N1CCC[C@H]1C(=O)Nc1ncc(S(=O)(=O)F)s1	1331948675	VJYDTVTZEBNZTE-ZETCQYMHSA-N	321.355	0.751	70	10	DCIE	
COc1ccc(S(=O)(=O)NCCNC(=O)C2CC2)cc1N	160648805	VZSOUPWEGJRYFN-UHFFFAOYSA-N	313.379	0.082	70	10	DCIE	
O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](S(=O)(=O)F)C1	1973297542	HYYYTEOXKPMEDU-MRVPVSSYSA-N	303.271	0.504	70	10	DCIE	
CC1(O)CCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)CC1	161241128	PSPGUWZHPNVDAH-LLVKDONJSA-N	304.412	0.031	70	10	DCIE	
CC[C@@H](CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl)OC	388709847	IDFQJCXCNZZGQF-ZETCQYMHSA-N	309.775	0.800	70	10	DCIE	
COc1nc(N2C[C@H]3C[C@H]2CN(C)C3)ncc1[B-](F)(F)F	2172758488	QSPPXDBTJMRZDN-IUCAKERBSA-N	301.101	0.680	70	10	DCIE	
O=S(=O)(Cl)c1nnc([C@@H]2Cc3nncn3C2)n1C1CC1	2167743892	DGUPVAZBGBMNLR-ZCFIWIBFSA-N	314.758	0.472	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCc1cnn(C)c1	2182344848	TWDOWGZSYASFBK-UHFFFAOYSA-N	318.786	0.933	70	10	DCIE	
COCCNC(=O)COc1ccc(S(=O)(=O)F)cc1F	2191434817	OGLOMCRTJPWKDM-UHFFFAOYSA-N	309.290	0.625	70	10	DCIE	
CC(=O)N1CCC[C@H]1C(=O)N1CC(CCS(=O)(=O)F)C1	2199684788	URNKAPUOWWCLMX-NSHDSACASA-N	306.359	0.145	70	10	DCIE	
CCCCN(C)S(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2088472882	VJLPZAMXDBXCHY-JTQLQIEISA-N	316.420	0.727	70	10	DCIE	
CO[C@@H]1CN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)C[C@H]1F	2090291324	NUQBJGDXRRIQEP-VXNVDRBHSA-N	310.734	0.751	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)[C@H]2CCC[C@@H]2F)CC1	2118899914	XTAXKTZSTNZWNM-UWVGGRQHSA-N	317.379	0.971	70	10	DCIE	
O=C([C@H]1CC[C@H]1C(F)(F)F)N1CCN(S(=O)(=O)F)CC1	2232577736	RDALVBCLTWOGJZ-JGVFFNPUSA-N	318.292	0.933	70	10	DCIE	
N#CCNC(=O)COc1c(F)cc(S(=O)(=O)Cl)cc1F	216057891	DEGHBUAZGJTBJN-UHFFFAOYSA-N	324.692	0.911	70	10	DCIE	
CC12CC(C1)[C@@H](C(=O)N1CCN(S(=O)(=O)F)CC1)CO2	2362909642	ANDFNWSPZYFIAW-YZRBJQDESA-N	306.359	0.160	70	10	DCIE	
O=S(=O)(Cl)c1nnc(CCn2cccn2)n1C1CC1	382475076	GMGZJVVHBOMSCL-UHFFFAOYSA-N	301.759	0.980	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@@H]1C[C@@H]2COC[C@H]2O1	724637216	SHKYLMPLEZSKNZ-KXUCPTDWSA-N	306.771	0.923	70	10	DCIE	
COC[C@@H](Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1)OC	694624011	UIYJBCQMRGHDIH-ZCFIWIBFSA-N	313.719	0.380	70	10	DCIE	
CS(=O)(=O)N1CC[C@@H](CC2(S(=O)(=O)Cl)CC2)C1	696310627	UKXJXQZYBDQATA-QMMMGPOBSA-N	301.817	0.759	70	10	DCIE	
CCO[C@H]1CS(=O)(=O)C[C@H]1C1(S(=O)(=O)Cl)CC1	696656521	SAYSEFMCBKQSQT-SFYZADRCSA-N	302.801	0.537	70	10	DCIE	
CCNCc1cc(S(=O)(=O)NCCCN(C)C)cn1C	217472235	CDIXIQABRDSCNH-UHFFFAOYSA-N	302.444	0.365	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CCN(c2ncncc2[B-](F)(F)F)C1	2116149860	IVVHCNUFJMYQMW-MRVPVSSYSA-N	308.114	0.402	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cccc([C@H](C)O)c2)CCOC1	161088322	WKZLQEFQYLEPRJ-FZMZJTMJSA-N	315.391	0.824	70	10	DCIE	
O[C@@H](C[C@H]1COCCN1Cc1nnnn1C1CC1)c1ccco1	159652371	NEIDNJBBGUXYIQ-STQMWFEESA-N	319.365	0.926	70	10	DCIE	
CC(=O)N1CC[C@H](NC(=O)c2cc3c([nH]c2=O)CCCCC3)C1	159745772	BYEUKYGMLZOUMO-ZDUSSCGKSA-N	317.389	0.994	70	10	DCIE	
O=C([C@H]1COCCC1(F)F)N1CCC(S(=O)(=O)F)CC1	1972664870	PUEYWNQTMVBNMY-SECBINFHSA-N	315.313	0.949	70	10	DCIE	
O=C([C@H]1COCCC1(F)F)N1CC[C@H](S(=O)(=O)F)C1	1973300591	VGJBWMIMOPDPTH-JGVFFNPUSA-N	301.286	0.558	70	10	DCIE	
C[C@H]1C[C@H]1CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N	160028282	HDABAABHDVFUND-IUCAKERBSA-N	318.420	0.607	70	10	DCIE	
CCc1[nH]nc(C(=O)NCC2(C)COC2)c1S(=O)(=O)Cl	2154135236	YAFBQHQFECUISY-UHFFFAOYSA-N	321.786	0.666	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)NC2CCC2)CC1	2028773139	XEGZMBVCIIKQHW-UHFFFAOYSA-N	300.377	0.137	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)[C@@H]2CC2(F)F)C1	2049737855	AXTNROJIIDCNCW-RNFRBKRXSA-N	307.315	0.488	70	10	DCIE	
Cc1cnc(N2CC[C@H](NS(C)(=O)=O)C2)c([B-](F)(F)F)c1	2172799847	LIZNTFBIUKEABR-VIFPVBQESA-N	322.141	0.572	70	10	DCIE	
CC[C@@H](C)NC(=O)Cn1cc(S(=O)(=O)Cl)nc1COC	2182343340	MOFBINFUKHYGNA-MRVPVSSYSA-N	323.802	0.872	70	10	DCIE	
N#CCNC(=O)COc1c(F)cc(S(=O)(=O)F)cc1F	2191422266	RRFYLMCKDFGSHI-UHFFFAOYSA-N	308.237	0.642	70	10	DCIE	
CC(C)n1c(-c2nccnc2O)nnc1S(=O)(=O)Cl	2110825930	JDHHZDNZPWTYBF-UHFFFAOYSA-N	303.731	0.949	70	10	DCIE	
COc1cscc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271497470	IINWLOXWLLXFDQ-SSDOTTSWSA-N	308.356	0.775	70	10	DCIE	
COCc1csc(C(=O)NC2CN(S(=O)(=O)F)C2)c1	2268803682	JKUJGLOQXMALEN-UHFFFAOYSA-N	308.356	0.523	70	10	DCIE	
CC1(C)OCCO[C@@H]1COCCOCCS(=O)(=O)Cl	2130422982	QAZVJLSGQYOQEN-SNVBAGLBSA-N	316.803	0.782	70	10	DCIE	
CO[C@@]1(CNc2nc(Cl)nc(-n3ccnc3)n2)CCOC1	161049272	CRDITWLMGJYOMU-GFCCVEGCSA-N	310.745	0.928	70	10	DCIE	
CC(C)c1nc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)n[nH]1	2144732070	BBWMWFXKKHVXFZ-QMMMGPOBSA-N	304.347	0.832	70	10	DCIE	
C=CCOCCNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	1970993408	WEXCBDJPCQGOKA-UHFFFAOYSA-N	323.367	0.826	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2sc(N)nc2C)CCOC1	160677321	OHHDUIYFFXNDBQ-JTQLQIEISA-N	307.397	0.118	70	10	DCIE	
Cn1nnc(C(=O)Nc2ccc(S(=O)(=O)Cl)c(F)c2)n1	697220273	DXOJEIAAAJCNAQ-UHFFFAOYSA-N	319.705	0.529	70	10	DCIE	
CCCc1[nH]nc(C(=O)NC[C@@H]2CCO2)c1S(=O)(=O)Cl	2189563041	MCKGCBURNLVRHM-ZETCQYMHSA-N	321.786	0.808	70	10	DCIE	
Cc1cc(C(=O)N2CC(CCS(=O)(=O)F)C2)cc(O)n1	2236097510	SDJCACDXNVXKCF-UHFFFAOYSA-N	302.327	0.857	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CC[C@H]2C[C@H]1CO2	2287064885	HDYHERNDZPEVCY-VLEAKVRGSA-N	306.359	0.206	70	10	DCIE	
O=C(NC[C@H](O)Cn1ccccc1=O)c1ccc(F)c(F)c1	218410617	CMVBOTVXKHFILL-NSHDSACASA-N	308.284	0.917	70	10	DCIE	
COCCn1c(-c2cncn2C)nnc1S(=O)(=O)Cl	234675400	KRRSBXSJLLOTEZ-UHFFFAOYSA-N	305.747	0.253	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1Cc1nnnn1C(C)C	698609212	PVYBMNARXNXTLM-UHFFFAOYSA-N	318.790	0.989	70	10	DCIE	
CC#CCNC[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1319244290	HJVIPSLJXOTNPL-SNVBAGLBSA-N	315.370	0.652	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1	2134974206	BVBAFEWTOXZISH-URLYPYJESA-N	311.400	0.736	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1CC(=O)NCCOC	215723808	CXYKVLBDCDBLQQ-UHFFFAOYSA-N	323.802	0.526	70	10	DCIE	
C[C@H](CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC#N	1283680336	TUMJUFMDYVFUSK-MRVPVSSYSA-N	302.331	0.247	70	10	DCIE	
CNc1ncc(S(=O)(=O)NCCCCOCCOC)cn1	160014476	WBASHPCUDQLOLC-UHFFFAOYSA-N	318.399	0.240	70	10	DCIE	
CCOC(CCN1CCOC[C@@H]1C(=O)NC1CC1)OCC	160135257	KPOURIWNJWNOEB-CYBMUJFWSA-N	300.399	0.755	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1(C(F)(F)F)CC1	1974057884	BJHREUDDWDGQEC-UHFFFAOYSA-N	304.265	0.591	70	10	DCIE	
C[C@H]1OCC[C@@H]1CC(=O)Nc1nn(C)cc1S(=O)(=O)F	2196351544	DNPVAUBAQRLORD-HTQZYQBOSA-N	305.331	0.832	70	10	DCIE	
Cn1cccc(C(=O)N2CCC(S(=O)(=O)F)CC2)c1=O	2236089614	RYKUNJDWEGZLIB-UHFFFAOYSA-N	302.327	0.289	70	10	DCIE	
C[C@]1([B-](F)(F)F)CCN(S(=O)(=O)CS(C)(=O)=O)C1	2303150849	IUUYNRAITKEKSF-ZETCQYMHSA-N	308.132	0.632	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NCC[S@](C)=O	135261630	NJXZMTUJJIEBRA-QGZVFWFLSA-N	312.800	0.061	70	10	DCIE	
CS(=O)(=O)CCC(=O)Nc1ncc(S(=O)(=O)F)s1	1438190286	WQSXOSRIMMHFJN-UHFFFAOYSA-N	316.357	0.175	70	10	DCIE	
COC1CC(N(C)C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	1914824098	SEBCUCGTPXIEPK-UHFFFAOYSA-N	321.786	0.895	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N(C)C1COC1	1915687086	QTTCSGYKUMXSSY-UHFFFAOYSA-N	306.771	0.906	70	10	DCIE	
CCC(=O)NCC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1530671247	FHKPDUYLWWWADS-UHFFFAOYSA-N	317.342	0.271	70	10	DCIE	
C[C@H](NC(=O)c1cc(S(=O)(=O)F)ccc1Cl)C(N)=O	1536879704	YYZGOPHPANFVAV-YFKPBYRVSA-N	308.718	0.602	70	10	DCIE	
CCN(C)C[C@H](O)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1649476732	VBDDOLKREVKIES-VIFPVBQESA-N	321.374	0.058	70	10	DCIE	
CC(=O)NC[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1688852452	ACCFNDDMBXPISK-SSDOTTSWSA-N	305.331	0.175	70	10	DCIE	
CN(C)CCn1ncc(N(C)[C@H](CN)C2CC2)c(Cl)c1=O	160049353	ZYYRPCBRGMCSFO-LLVKDONJSA-N	313.833	0.632	70	10	DCIE	
Cc1cccc2c(=O)n(CCC(=O)NC3(CO)CC3)cnc12	160258871	PJPRYXAAJXTXAZ-UHFFFAOYSA-N	301.346	0.736	70	10	DCIE	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC(S(=O)(=O)F)C1	1897481031	IRYNQYULDJFVEG-MRVPVSSYSA-N	324.374	0.657	70	10	DCIE	
O=C(c1ccnc(Cl)c1)N1CCN(S(=O)(=O)F)CC1	1974000987	KTCPOKRTSQRFRS-UHFFFAOYSA-N	307.734	0.707	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]32)c1S(=O)(=O)Cl	2176539537	QXLAKSJCMXVAST-OOZYFLPDSA-N	319.770	0.553	70	10	DCIE	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)cc1	2199699425	ZQRRKWZTGWTIOZ-UHFFFAOYSA-N	324.311	0.267	70	10	DCIE	
O=C1CCC(=O)N1CCCn1cc(S(=O)(=O)Cl)cn1	2113410469	HHDRPNCOQPHCSO-UHFFFAOYSA-N	305.743	0.350	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC(F)(F)C1CC1	2225546255	DAZUYRLZWWKFFH-UHFFFAOYSA-N	314.697	0.922	70	10	DCIE	
O=C(NCCN1CCNCC1)NCOc1ccc(Cl)cc1	217301628	GUWVVMZSARMFOA-UHFFFAOYSA-N	312.801	0.881	70	10	DCIE	
CSC[C@](C)(O)CNC(=O)CN(C)C(=O)c1ccco1	217671312	UVYVBGFBOLGYTC-CYBMUJFWSA-N	300.380	0.582	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1cc(C(N)=S)cc(C)n1	161364586	OCPRHNQPQLPYSD-LLVKDONJSA-N	308.407	0.366	70	10	DCIE	
COc1cccc(CS(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)c1	160058149	WEWYEMIDCGPVHF-GFCCVEGCSA-N	312.391	0.735	70	10	DCIE	
CNC(=O)COc1cccc(CC(=O)NC[C@H]2CCC[C@@H]2O)c1	159942982	MDWQRKOZOKCGJF-HIFRSBDPSA-N	320.389	0.631	70	10	DCIE	
Cc1ccc(O)cc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001276	QJEROFOGGOCYAG-UHFFFAOYSA-N	302.327	0.673	70	10	DCIE	
COc1ccc(S(=O)(=O)Cl)cc1NC(=O)c1c[nH]nn1	157408710	GMORVIONSJDDGG-UHFFFAOYSA-N	316.726	0.993	70	10	DCIE	
O=C(NC1CC1)[C@H]1COCCN1c1nc(Cl)nnc1Cl	160279595	ZSUUNKVBJOLCIO-SSDOTTSWSA-N	318.164	0.662	70	10	DCIE	
N[C@@H]1CCC[C@H](CCC(=O)NC2CCS(=O)(=O)CC2)C1	160974518	BPSIEAUNUONBLX-VXGBXAGGSA-N	302.440	0.978	70	10	DCIE	
CS(=O)(=O)CC1CCN(c2ncncc2[B-](F)(F)F)CC1	2172774389	NUHWZTJZOHAFOM-UHFFFAOYSA-N	322.141	0.792	70	10	DCIE	
Cc1cc(F)cnc1C(=O)N1CCN(S(=O)(=O)F)CC1	2281093149	DFHCXGHMEODWHH-UHFFFAOYSA-N	305.306	0.501	70	10	DCIE	
COCCn1c([C@@H]2CCO[C@H]2C)nnc1S(=O)(=O)Cl	133334810	VMAWDUSKJIVCCW-JGVFFNPUSA-N	309.775	0.744	70	10	DCIE	
CCN(CCCS(=O)(=O)Cl)[C@H]1CCS(=O)(=O)C1	387372358	LZEDAVAAKJIQQI-VIFPVBQESA-N	303.833	0.454	70	10	DCIE	
CCN1C[C@@H](Cn2cc(S(=O)(=O)Cl)nc2C)OC1=O	690560880	ZXCCFXMFFDMUBI-QMMMGPOBSA-N	307.759	0.960	70	10	DCIE	
Cc1cc(N2C[C@H]3C[C@H]2CS3(=O)=O)ncc1[B-](F)(F)F	2116137995	GVILTFCGSXWCHY-DTWKUNHWSA-N	305.110	0.820	70	10	DCIE	
CC[C@@]1(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CC1(F)F	1923179142	XRVJZXMZNNMZPX-VIFPVBQESA-N	311.285	0.874	70	10	DCIE	
O=C(NC/C=C/CNCC1CC1)c1cc(S(=O)(=O)F)c[nH]1	1568919875	KEFBZEYBXMMSRU-OWOJBTEDSA-N	315.370	0.959	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1c1ncnc(Cl)c1OC	160273614	JOXUWXDRHPSQHW-SECBINFHSA-N	314.773	0.870	70	10	DCIE	
CC1CC(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)(C(N)=S)C1	160293859	RXNSHWBUGPBERZ-YJVGMPMCSA-N	309.435	0.816	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCN(C2CC2)CC1	160348868	YQRFHMIOWPEFTC-UHFFFAOYSA-N	306.366	0.791	70	10	DCIE	
NNc1nnc(CN2CCn3c(nnc3C(F)(F)F)C2)s1	159680464	OCYSXQWKKAGVTC-UHFFFAOYSA-N	320.304	0.450	70	10	DCIE	
C[C@@]1(C(=O)N2CCN(S(=O)(=O)F)CC2)C[C@@H]1C(F)(F)F	1974014559	KEIYKKZTTXTLGG-IONNQARKSA-N	318.292	0.933	70	10	DCIE	
C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCN(S(=O)(=O)F)CC2)[C@H]1C	1974015332	SLMLCLTVKWNARV-UKKRHICBSA-N	308.375	0.404	70	10	DCIE	
Cc1nnc(Cn2nc([N+](=O)[O-])c(S(=O)(=O)Cl)c2C)o1	312653270	VGGYIAAPWWNPFX-UHFFFAOYSA-N	321.702	0.767	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N(C)Cc2nnnn2C)n1	2172770028	FPVVMCALBCTVMK-UHFFFAOYSA-N	300.077	0.308	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@@H]2CCO[C@H]21	2176536140	XJCFRZGCBRXAPW-JMJZKYOTSA-N	318.782	0.953	70	10	DCIE	
C#CC[C@H](Cn1cc(S(=O)(=O)Cl)c(O)nc1=O)C1CC1	2196827601	RZYBJGLGPHEFKZ-SECBINFHSA-N	316.766	0.926	70	10	DCIE	
O=C(N1CC(S(=O)(=O)F)C1)C12CC(C1)[C@@H](C(F)(F)F)O2	2199685827	IAFSBNJYEJFRBM-JWHAPHLESA-N	317.260	0.606	70	10	DCIE	
O=C1CN(C(=O)/C=C\c2cccc(Br)c2)CC(=O)N1	217753479	FDNVEBKIEBFBOR-PLNGDYQASA-N	323.146	0.947	70	10	DCIE	
CCO[C@H](C)CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	133190893	QMRUMVVAJDSCQS-ZCFIWIBFSA-N	309.775	0.800	70	10	DCIE	
O=S(=O)(F)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1	1954487334	YOOCDVWEFVCTFW-CHWSQXEVSA-N	300.355	0.786	70	10	DCIE	
COCCn1c([C@H](COC)OC)nnc1S(=O)(=O)Cl	691128722	SKXFXIQXWLDOEH-ZETCQYMHSA-N	313.763	0.186	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1C[C@H]2CCO[C@H]2C1	2115459336	KBXRLFGCXUBNFV-XCBNKYQSSA-N	304.755	0.803	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@H]1CCO1	2133033035	QMRKWOWIKGHQTK-MRVPVSSYSA-N	306.771	0.954	70	10	DCIE	
CNC(=O)C1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCC1	1359936121	RBKBURGLQWMYLY-UHFFFAOYSA-N	317.342	0.462	70	10	DCIE	
COCCNC(=O)Cc1ccc(OC)c(S(=O)(=O)Cl)c1	115785359	GHZURAMTOKCXQI-UHFFFAOYSA-N	321.782	0.928	70	10	DCIE	
CC(=O)N(C)[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1734811561	MUUWVFYAZMOVPK-ZETCQYMHSA-N	305.331	0.270	70	10	DCIE	
CC(C)[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)Nc1ccccc1	159557210	DIAOSXJJHZIUKN-QWHCGFSZSA-N	318.377	0.837	70	10	DCIE	
O=S1(=O)CC(c2nnc(S(=O)(=O)Cl)n2C2CC2)C1	2036166245	IGRSGIKIUXHHLF-UHFFFAOYSA-N	311.772	0.053	70	10	DCIE	
CN1CCC[C@H]1CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	692666956	OEVZKARQEKOGGT-QMMMGPOBSA-N	321.786	0.361	70	10	DCIE	
O=S1(=O)CC[C@H](CCn2cc(S(=O)(=O)Cl)cn2)C1	694592432	FPKOBORZGYWLCK-QMMMGPOBSA-N	312.800	0.635	70	10	DCIE	
CCc1[nH]nc(C(=O)O[C@H]2CCN(C)C2)c1S(=O)(=O)Cl	2198023420	IHOFZNXDQSGCMB-ZETCQYMHSA-N	321.786	0.761	70	10	DCIE	
CN1CCO[C@H](C(=O)Nc2ccc(S(=O)(=O)F)nc2)C1	2187814415	IISCUJNWDOYKEB-VIFPVBQESA-N	303.315	0.009	70	10	DCIE	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC(S(=O)(=O)F)C1	2199699204	WXEFVCWAHMMZQS-UHFFFAOYSA-N	324.311	0.267	70	10	DCIE	
CCn1c([C@@H]2CO[C@@H]3COC[C@@H]32)nnc1S(=O)(=O)Cl	2101887947	AJANIXLPVPQSRD-BWZBUEFSSA-N	307.759	0.354	70	10	DCIE	
O=S(=O)(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCC[C@H]1F	2271516240	MQYDWOJMKUPBPL-HLTSFMKQSA-N	318.367	0.085	70	10	DCIE	
C[C@]1(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C[C@H]1C(F)(F)F	2287073847	YULVODJCSFOIFS-OOZYFLPDSA-N	318.292	0.980	70	10	DCIE	
CC1(C)CCC[C@@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)O1	2287079947	OUGGOFDRKWVKCI-ZJUUUORDSA-N	308.375	0.739	70	10	DCIE	
N#CC1(CS(=O)(=O)Nc2ccc(S(=O)(=O)F)nc2)CC1	2166535724	YMYKRIIRDFMPJC-UHFFFAOYSA-N	319.339	0.785	70	10	DCIE	
Cc1cnc(NS(=O)(=O)c2cnn(CCCO)c2)s1	218425822	UCVBWQBKRUERBX-UHFFFAOYSA-N	302.381	0.831	70	10	DCIE	
CSC[C@@](C)(O)CNC(=O)CCNC(=O)C1CCCC1	217621631	SEARWDVIJYARIN-AWEZNQCLSA-N	302.440	0.913	70	10	DCIE	
O=C(CN1CCCC1=O)Nc1ccccc1S(=O)(=O)F	228313341	PWHQVJNBGXDGCG-UHFFFAOYSA-N	300.311	0.906	70	10	DCIE	
CC#CCN[C@H](C)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1571406240	XOZPSRYXURICFS-SNVBAGLBSA-N	315.370	0.746	70	10	DCIE	
NC(=O)c1cccc(OCCC(=O)N2C[C@@H]3CCC[C@H](C2)N3)c1	160002859	HALWKLOAXYQUET-OKILXGFUSA-N	317.389	0.907	70	10	DCIE	
CCOCCN1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@@H]1C	160882100	XWOQQMZFDCVPDP-NSHDSACASA-N	322.409	0.570	70	10	DCIE	
Cc1cc(N)nc(CN2C(=O)N[C@@](C)(C(F)(F)F)C2=O)n1	159881424	MIYKWDWFXOARRI-SNVBAGLBSA-N	303.244	0.740	70	10	DCIE	
C[C@H]1C[C@H](C(=O)NCC2CN(S(=O)(=O)F)C2)CCS1	1974055192	NUDSCDRVQPVEDM-WCBMZHEXSA-N	310.416	0.780	70	10	DCIE	
Cn1c(C(=O)N2CCN(S(=O)(=O)F)CC2)cnc1Cl	1974001343	RMKDXQLZPXYHPL-UHFFFAOYSA-N	310.738	0.046	70	10	DCIE	
CC(C)(C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)S(C)(=O)=O	160433706	BXHDPULTPRGQPB-FZMZJTMJSA-N	303.424	0.963	70	10	DCIE	
CNc1ccc(S(=O)(=O)NC[C@@]2(OC)CCOC2)cc1	160676550	TYODTHCMHUMCAY-ZDUSSCGKSA-N	300.380	0.812	70	10	DCIE	
COCCNS(=O)(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2073786049	GYEYSVBNRUQCQP-BDAKNGLRSA-N	301.119	0.781	70	10	DCIE	
O=C(c1ccc(F)c([N+](=O)[O-])c1)N1CC(S(=O)(=O)F)C1	2199686923	DENMVGKSJFWXLA-UHFFFAOYSA-N	306.246	0.858	70	10	DCIE	
CCN(CC)S(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2110223417	XGBUIQWUENBVGS-UHFFFAOYSA-N	311.360	0.738	70	10	DCIE	
C[C@H](CC(F)(F)F)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271486706	AHGSJAPDFYZUHO-RNFRBKRXSA-N	306.281	0.980	70	10	DCIE	
Cc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)c(F)c1F	2284151762	SQZIHMZDSQRGJV-UHFFFAOYSA-N	308.281	0.902	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC2(CCC2)CO1	2287071329	IIEVQGKELWBKPK-ZJUUUORDSA-N	306.359	0.350	70	10	DCIE	
O=C(Cc1ccc(F)cc1)NC[C@@H](O)Cn1ccccc1=O	218417386	JXVNRRURISBQDB-CQSZACIVSA-N	304.321	0.707	70	10	DCIE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@@H](S(=O)(=O)Cl)C1	713302737	QOEYWSHUEZOFAK-RQJHMYQMSA-N	313.759	0.875	70	10	DCIE	
CC1(C)CO[C@@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1	708533810	RDPNKDXFMWPXJK-SSDOTTSWSA-N	322.770	0.692	70	10	DCIE	
CO[C@H]1C[C@@H]1CNC(=O)c1cc(S(=O)(=O)Cl)cn1C	2131640146	SVPGJDLYEPVSHN-XCBNKYQSSA-N	306.771	0.717	70	10	DCIE	
CCNC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1483588219	SIRTZUROZUJHLP-LLVKDONJSA-N	303.359	0.791	70	10	DCIE	
CC(C)(C)n1c(Cn2cncn2)nnc1S(=O)(=O)Cl	232526563	KLJXUADSMMVXNJ-UHFFFAOYSA-N	304.763	0.600	70	10	DCIE	
O=C(Cc1ccccc1)NCC(=O)N1C[C@@H]2CCC[C@H](C1)N2	160111507	DIAUUNWBPGEJHQ-GASCZTMLSA-N	301.390	0.698	70	10	DCIE	
CCc1onc(C)c1C(=O)NC[C@H]1CCCN1S(C)(=O)=O	160479666	SRQBKHMAHWLJFY-SNVBAGLBSA-N	315.395	0.699	70	10	DCIE	
CNc1ncc(Cl)c(N2CCOC[C@H]2C(=O)NC2CC2)n1	160573874	CISZVBVSRYKZOS-JTQLQIEISA-N	311.773	0.656	70	10	DCIE	
CC(=O)N1CCC[C@@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1	159927054	IEUANEUSOVLYKL-GFCCVEGCSA-N	316.423	0.281	70	10	DCIE	
COCCn1ncc(N2CCO[C@H]([C@@H](C)N)C2)c(Cl)c1=O	159948631	MCXLZFYGFGICRL-KOLCDFICSA-N	316.789	0.096	70	10	DCIE	
COc1cc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)cc(C)n1	1968235252	JQRFVOFWAFYFQX-JTQLQIEISA-N	302.327	0.912	70	10	DCIE	
CCn1c(-c2cnc3cccnn23)nnc1S(=O)(=O)Cl	2172266379	IJCOYOJTSWNXEQ-UHFFFAOYSA-N	312.742	0.935	70	10	DCIE	
COCCN1CCN(c2ncc([B-](F)(F)F)c(C)n2)CC1	2172764936	KJMPEXNOYQRDGI-UHFFFAOYSA-N	303.117	0.608	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2191019720	GFCIXILFVFONBW-KDQWQRHNSA-N	302.371	0.683	70	10	DCIE	
O=C(N[C@@H]1[C@@H]2CCOC[C@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2093705661	ISHLLKJTLXPMNI-NQMVMOMDSA-N	304.755	0.707	70	10	DCIE	
COCCc1nc(Cn2cc(S(=O)(=O)Cl)cn2)no1	2113472779	JUHCBUMBNMOOEK-UHFFFAOYSA-N	306.731	0.431	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CC[C@H](C(F)(F)F)C1	2284149576	DOBZAIGKGCOZBY-BQBZGAKWSA-N	318.292	0.980	70	10	DCIE	
O=C(CCc1cccc(F)c1)NC1CN(S(=O)(=O)F)C1	2284152899	DYDQKUYCWWWKJO-UHFFFAOYSA-N	304.318	0.773	70	10	DCIE	
CC[C@@H](CO)NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	217287093	DUQPDBZVWHHRDW-UONOGXRCSA-N	305.378	0.858	70	10	DCIE	
COCCCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1C	215831991	IPCNVJLDDUBZQO-UHFFFAOYSA-N	309.775	0.272	70	10	DCIE	
CSc1nc([C@@H]2CCCO2)nc2c1c(=O)n(C)c(=O)n2C	217416743	KPLLBDVNYWAVPV-ZETCQYMHSA-N	308.363	0.601	70	10	DCIE	
O=S1(=O)CC[C@H]2CN(c3ncc([B-](F)(F)F)cn3)C[C@@H]21	2116146515	UMSASDIMGZPHOU-CBAPKCEASA-N	306.098	0.154	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCO[C@@H](CCF)C1	1347765681	XQWQKHFETOIKAG-QMMMGPOBSA-N	308.306	0.874	70	10	DCIE	
CN(C)CC(C)(C)CNS(=O)(=O)N1CCCC[C@@H]1CO	217297474	TWGMEACKYJRWFQ-GFCCVEGCSA-N	307.460	0.255	70	10	DCIE	
C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCCF	1480538157	JDYUBWRWFWAUHT-MRVPVSSYSA-N	309.338	0.740	70	10	DCIE	
C[C@H]1CCCN(S(=O)(=O)N(CCO)Cc2cccnc2)C1	161219585	ZGLYHYFUICDYNX-ZDUSSCGKSA-N	313.423	0.853	70	10	DCIE	
O=C([C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@H]21)N1CCC[C@H](S(=O)(=O)F)C1	2144733074	MGGFQYAQFZERLA-UFFGRJIKSA-N	303.355	0.700	70	10	DCIE	
CC(C)N(C)S(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1O	160328944	JYKWDTJLEHQLAQ-UHFFFAOYSA-N	322.408	0.793	70	10	DCIE	
Cc1nc(N2CC[C@@H]3OCCO[C@@H]3C2)ncc1[B-](F)(F)F	2172769497	YMKLBNJJKJFETJ-WDEREUQCSA-N	302.085	0.834	70	10	DCIE	
CCCOC1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CC1	2169023292	JWKURGMIPDJMLA-UHFFFAOYSA-N	308.375	0.741	70	10	DCIE	
O=S(=O)(N1CCOCC1)N1CCC[C@@H]([B-](F)(F)F)C1	2070257592	YJJDUFVFSHLWKW-SECBINFHSA-N	301.119	0.877	70	10	DCIE	
CN1CCO[C@H]2CN(c3ncc(F)cc3[B-](F)(F)F)C[C@@H]21	2188592852	XNCSKTLVYGTVPL-QWRGUYRKSA-N	304.076	0.794	70	10	DCIE	
CO[C@@H]1CC[C@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2227913394	NJSJHOLTGJHJQA-NKWVEPMBSA-N	308.743	0.301	70	10	DCIE	
Cc1ccnc(O[C@H]2CCN(S(C)(=O)=O)C2)c1[B-](F)(F)F	2285600129	MXMUZDRSZGDFLM-VIFPVBQESA-N	323.125	0.857	70	10	DCIE	
Cc1cc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)ccc1O	2287076739	TYDKHVMXVLWGFZ-JTQLQIEISA-N	302.327	0.719	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1cnnc(Cl)c1	2289591555	PBCTWWFDMDZAMP-UHFFFAOYSA-N	322.749	0.539	70	10	DCIE	
CS[C@H]1C[C@@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)C1	2335875044	LXNSLOZNFAUKQM-KNVOCYPGSA-N	307.372	0.580	70	10	DCIE	
COC(=O)[C@H](O)CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC	217826901	FHNHNQLIBOLPHC-NXEZZACHSA-N	319.354	0.757	70	10	DCIE	
C[C@H]1CN(CCCCS(=O)(=O)Cl)CCS1(=O)=O	708313475	MEDSLBXBZOGODW-VIFPVBQESA-N	303.833	0.454	70	10	DCIE	
Cc1nc(N(C)[C@@H](C)CS(C)(=O)=O)ncc1[B-](F)(F)F	2116132351	NKINQSHJFHJTEF-ZETCQYMHSA-N	310.130	0.709	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1Cc1cnn(C)c1	2125954283	SFVISEJYTYEIBC-UHFFFAOYSA-N	304.759	0.739	70	10	DCIE	
CCOC1CC(NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	233726955	ZFQGNFDQYFGMNS-UHFFFAOYSA-N	321.786	0.943	70	10	DCIE	
COCCN(CC(F)F)C(=O)N[C@H]1CCc2ncnn2C1	161357915	RPFAHEGOWRKLFU-VIFPVBQESA-N	303.313	0.516	70	10	DCIE	
CN(C(=O)c1cc(S(=O)(=O)Cl)cn1C)[C@H]1CCOC1	161848917	GNABGBRDWWXYNH-QMMMGPOBSA-N	306.771	0.814	70	10	DCIE	
CN1C[C@@H](NS(=O)(=O)N(C)C2CCCCC2)CCC1=O	160059388	DBHKHFHANNGACD-NSHDSACASA-N	303.428	0.706	70	10	DCIE	
NCc1cccc(CS(=O)(=O)NCCNC(=O)C2CC2)c1	160724022	ZTFFATZPFDUPPH-UHFFFAOYSA-N	311.407	0.091	70	10	DCIE	
COC[C@]1(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)CCCO1	1968234833	GDKQGJVRRHGWQG-JQWIXIFHSA-N	309.359	0.472	70	10	DCIE	
C[C@@H](CC(=O)N1CCN(S(=O)(=O)F)CC1)C(F)(F)F	1974000708	FJDKMXWOZYCPPC-ZETCQYMHSA-N	306.281	0.933	70	10	DCIE	
Cc1cccc(C(=O)N2CCN(S(=O)(=O)F)CC2)c1N	1974001484	UUDVXVUMXMQLLX-UHFFFAOYSA-N	301.343	0.549	70	10	DCIE	
O=C([C@@H]1CCc2nccn2C1)N1CC[C@H](S(=O)(=O)F)C1	2159907828	GKNHUZIAONAXMG-ZJUUUORDSA-N	301.343	0.346	70	10	DCIE	
O=C([C@@H](O)Cc1ccccc1)N1CC(CS(=O)(=O)F)C1	2205349943	MGXAMKYHXAMBSY-LBPRGKRZSA-N	301.339	0.348	70	10	DCIE	
COCC(COC)S(=O)(=O)N1CC[C@@H]([B-](F)(F)F)C1	2319681677	CAULUYZFDYZAJF-MRVPVSSYSA-N	304.119	0.901	70	10	DCIE	
CS(=O)(=O)[C@H]1C[C@H](COc2ncc([B-](F)(F)F)cn2)C1	2352804876	NRXVXVAGPKWKEP-XWEPSHTISA-N	309.098	0.733	70	10	DCIE	
COc1ccc(CCNC(=O)N(C=O)CCCN)cc1OC	217308041	CIXFAVIEGKBRFW-UHFFFAOYSA-N	309.366	0.763	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CNC(=O)O1	215791335	POYOAYQJOVQUKV-SSDOTTSWSA-N	307.759	0.872	70	10	DCIE	
O=C1CN(c2ncc(Cl)cc2Br)CC(=O)N1	159827869	NMAWUWPPZVNJMV-UHFFFAOYSA-N	304.531	0.960	70	10	DCIE	
CC12CC(C(=O)N3CCN(S(=O)(=O)F)CC3)(CCO1)C2	2164980904	MMYCQIKZQHHACZ-UHFFFAOYSA-N	306.359	0.304	70	10	DCIE	
C#C[C@]1(O)CCN(C(=O)c2cccc(S(=O)(=O)Cl)c2)C1	707974511	IDKKFEPFZULVQW-ZDUSSCGKSA-N	313.762	0.824	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)[C@H]2CCCC[C@H]2F)C1	2118937203	QIPGZPRHDZPBCD-BBBLOLIVSA-N	317.379	0.971	70	10	DCIE	
Cc1cc(O)nc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1	1639659850	LSRJQLBBOJHWGD-UHFFFAOYSA-N	314.298	0.407	70	10	DCIE	
CN(CCNCCCF)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1664190688	LCPQCPQTLHIZJF-UHFFFAOYSA-N	309.338	0.694	70	10	DCIE	
NC(=O)[C@@H]1CNCCN1C(=O)c1cc2ccc(F)cc2s1	161208980	ZNKPIUDPAZLLGU-JTQLQIEISA-N	307.350	0.940	70	10	DCIE	
CO[C@@]1(CNC(=O)Cc2ccc(C(N)=S)cc2)CCOC1	160495478	ONNZJOFXOGWSFV-OAHLLOKOSA-N	308.403	0.785	70	10	DCIE	
CCOC(=O)CCCN1CCC[C@H](C(=O)N2CCOCC2)C1	160963521	HBEFQLGHCKNAPK-AWEZNQCLSA-N	312.410	0.901	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCCN(C)CCOC)cc1N	159618191	WLHXTQYMEHOCNM-UHFFFAOYSA-N	316.427	0.167	70	10	DCIE	
COc1cc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)cc(C)n1	1968235253	JQRFVOFWAFYFQX-SNVBAGLBSA-N	302.327	0.912	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc(N)c(F)c2)CCOC1	159910551	SRSXISQERLNPDE-GFCCVEGCSA-N	304.343	0.492	70	10	DCIE	
CN1C(=O)C[C@@H](Oc2ccc(S(=O)(=O)Cl)cc2F)C1=O	2152388723	GMYMGYSUDFRAHA-SECBINFHSA-N	321.713	0.889	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1Cc1nnc(C)n1C	2182345207	YHGFAIHHJOURAD-UHFFFAOYSA-N	319.774	0.442	70	10	DCIE	
CC1(C)OCCC[C@H]1C(=O)N1CCN(S(=O)(=O)F)CC1	2187185082	OMVCMKSXVMOLKA-JTQLQIEISA-N	308.375	0.550	70	10	DCIE	
Cc1[nH]nc(C(=O)NCC[C@@H]2CCO2)c1S(=O)(=O)Cl	2278596978	GVOCVDVNFMILJI-SSDOTTSWSA-N	307.759	0.554	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cc(Cl)cnc1F	2268806399	VBJTXXOLWAVJHT-UHFFFAOYSA-N	311.697	0.502	70	10	DCIE	
CC1(C)CO[C@@H](CC(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2287076418	SARTUBOKMMLVKD-ZJUUUORDSA-N	308.375	0.596	70	10	DCIE	
CCn1cc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c(C)n1	2287074434	FMAGKBRVZVRLFE-SECBINFHSA-N	304.347	0.230	70	10	DCIE	
COCCn1c(C[C@@H](C)COC)nnc1S(=O)(=O)Cl	133336020	KHPCWCQEDRNZAI-MRVPVSSYSA-N	311.791	0.677	70	10	DCIE	
N#CC1(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)F)C2)CCC1	2166365944	KVZHUQVRHJZOFF-SNVBAGLBSA-N	324.399	0.774	70	10	DCIE	
C[C@@]1(C(F)(F)F)C[C@H]1C(=O)N1CCN(S(=O)(=O)F)CC1	2163652700	QAJGESINRBMXRX-IONNQARKSA-N	318.292	0.933	70	10	DCIE	
CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NS(=O)(=O)F)C1	1953574886	YFHIUPHRNFUAFE-SFHVURJKSA-N	316.376	0.918	70	10	DCIE	
CC1(C)C[C@H](O)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1347765195	UWPAVKZTCOSKAD-QMMMGPOBSA-N	304.343	0.906	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@H]2C[C@H](O)C[C@H]1C2	1347256441	RCSUYSVEAZTMFG-HLTSFMKQSA-N	302.327	0.658	70	10	DCIE	
Cc1cc(S(=O)(=O)NCCN2CCOCC2)sc1CN	217296357	FVMLNBRTQUEUFZ-UHFFFAOYSA-N	319.452	0.126	70	10	DCIE	
C=CCN[C@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1282193151	PLMIKRCZCQPSQH-RKDXNWHRSA-N	303.359	0.955	70	10	DCIE	
CCN(C(C)=O)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1702038048	GSAZHZIKWTZBBI-MRVPVSSYSA-N	319.358	0.660	70	10	DCIE	
Cc1cc(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)sn1	1923168381	VMFUIRFIKQGNFQ-UHFFFAOYSA-N	304.328	0.517	70	10	DCIE	
CN(CCNCC1CC1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1493698766	ISBZXSPULFLWFI-UHFFFAOYSA-N	303.359	0.745	70	10	DCIE	
CO[C@]1(CNC(=O)c2sc3nnccc3c2N)CCOC1	161498089	AKOGRYAWIAWMLW-ZDUSSCGKSA-N	308.363	0.809	70	10	DCIE	
COC(=O)Cn1cc(CCn2cnc(C(C)C)cc2=O)nn1	160773781	SWOPRDRNMMTVSO-UHFFFAOYSA-N	305.338	0.374	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)C[C@@H]1CCS(=O)(=O)C1	1943908290	HVMRJSCAEXANIE-VIFPVBQESA-N	303.833	0.312	70	10	DCIE	
N#Cc1ncccc1S(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2144732177	CKMMEKWYSDEBKG-QMMMGPOBSA-N	319.339	0.016	70	10	DCIE	
O=C(CC[C@H]1CCOC1)NC1CCN(S(=O)(=O)F)CC1	1974395056	UMAASEZBXJQQFX-JTQLQIEISA-N	308.375	0.598	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)c2ccns2)CC1	2028131332	UCVIIOMHLSHFTR-UHFFFAOYSA-N	314.385	0.596	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2COC(C)(C)C2)[nH]1	2159348567	DDVVVHFPYHEJMW-ZETCQYMHSA-N	305.331	0.254	70	10	DCIE	
CCCn1c([C@@H]2CO[C@H]3COC[C@@H]32)nnc1S(=O)(=O)Cl	2158060991	XEQQHIFYVIHTFZ-HLTSFMKQSA-N	321.786	0.744	70	10	DCIE	
Cc1[nH]nc(C(=O)OCCN2CCCC2)c1S(=O)(=O)Cl	2175870397	OXXDWRPROFGMOY-UHFFFAOYSA-N	321.786	0.898	70	10	DCIE	
Cc1nc(N2CCN(C3COC3)CC2)ncc1[B-](F)(F)F	2172758337	OKQJDLIHDVVVMI-UHFFFAOYSA-N	301.101	0.360	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ncc([B-](F)(F)F)cc3F)C[C@H]2C1	2172787419	FELZXZOYPZGJDG-YUMQZZPRSA-N	323.100	0.756	70	10	DCIE	
COc1nc(N2C[C@H]3OCCO[C@@H]3C2)ncc1[B-](F)(F)F	2172758831	VWAJEBWOQQOFQQ-RKDXNWHRSA-N	304.057	0.144	70	10	DCIE	
COc1cccc(C(=O)N2CC(S(=O)(=O)F)C2)c1OC	2199683255	WLNINELKJHYAQM-UHFFFAOYSA-N	303.311	0.828	70	10	DCIE	
O=C(c1cn(C2CC2)nn1)N1CC(CCS(=O)(=O)F)C1	2199687873	IZZWRKPQOQQVSL-UHFFFAOYSA-N	302.331	0.374	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)c2cccnc2F)C1	2088473117	XNWAGLOBVDDUBI-ZETCQYMHSA-N	312.319	0.283	70	10	DCIE	
O=C([C@H]1OCC[C@H]1C(F)(F)F)N1CC(S(=O)(=O)F)C1	2231812429	LRHBVWIFFDCXJB-RQJHMYQMSA-N	305.249	0.464	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H](C)COC)c1S(=O)(=O)Cl	115017115	IEWSUMPQDJZMIY-LURJTMIESA-N	309.775	0.664	70	10	DCIE	
O=C(COc1ccc(F)cc1)NC[C@@H](O)Cn1ccccc1=O	218416669	IKKRYDHERRMDHL-CYBMUJFWSA-N	320.320	0.544	70	10	DCIE	
COC(=O)CS(=O)(=O)NC[C@@H]1CCCN1c1nccs1	217805829	KOKOIGSCEHTQME-VIFPVBQESA-N	319.408	0.204	70	10	DCIE	
O=S1(=O)CC[C@@H](COc2ccc(F)c([B-](F)(F)F)c2)N1	2116236311	KYPVVQUDBHGGBC-ZETCQYMHSA-N	312.073	0.951	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1COCCO1	2125954531	WBDPUZAJLMMMRC-MRVPVSSYSA-N	310.759	0.372	70	10	DCIE	
CCN(CC)CCCNS(=O)(=O)N1CCCC[C@@H]1CO	218634079	MWRADIBXHOSBTB-CYBMUJFWSA-N	307.460	0.400	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CCC[C@@H](F)C2)[nH]1	1923174034	MSPPQSAMVJPOBE-HTQZYQBOSA-N	307.322	0.967	70	10	DCIE	
COC[C@H](C)N(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1714559870	HSRRHIFLYCRBRN-VIFPVBQESA-N	321.374	0.369	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)NCCC(=O)N[C@@H](C)CC	160225314	AUVXKIFKIIQYQD-VIFPVBQESA-N	324.381	0.905	70	10	DCIE	
CCc1c(C(=O)N[C@@H](C(=O)OC)C(C)C)[nH]c(C)c1C(N)=O	160577850	UTDDIQWGOOFILR-LLVKDONJSA-N	309.366	0.912	70	10	DCIE	
Cc1cc(N)c(S(=O)(=O)NCCNC(=O)C2CC2)cc1C	160653014	NTJUOPCXYLTPFD-UHFFFAOYSA-N	311.407	0.690	70	10	DCIE	
CC(F)(F)C1(C(=O)NCC2CN(S(=O)(=O)F)C2)CC1	1974055969	YPVBCVGXVLBOSU-UHFFFAOYSA-N	300.302	0.684	70	10	DCIE	
CCc1nnsc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001274	QHSCNIKSCHXOGX-UHFFFAOYSA-N	308.360	0.073	70	10	DCIE	
N[C@@H]1CCCCC[C@@H]1Nc1cnn(CCO)c(=O)c1Cl	159363460	QBQFLFYXLDJYBP-ZJUUUORDSA-N	300.790	0.961	70	10	DCIE	
CNC[C@H](C)CNc1cnn(CCN(C)C)c(=O)c1Cl	159872036	UULIIFKZRBANNQ-JTQLQIEISA-N	301.822	0.726	70	10	DCIE	
CN(C)C1(CNS(=O)(=O)c2c(N)ncn2C)CCCC1	160679407	VTSFAHUKPXQWJA-UHFFFAOYSA-N	301.416	0.155	70	10	DCIE	
N[C@@H]1CCC[C@@H](CCC(=O)NC2CCS(=O)(=O)CC2)C1	160974641	BPSIEAUNUONBLX-NWDGAFQWSA-N	302.440	0.978	70	10	DCIE	
CC(=O)c1ccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)cc1	2199695903	VCBDGKHBMAHLLO-UHFFFAOYSA-N	321.351	0.561	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1	2088468306	AHDUHUPRYNERNZ-SNVBAGLBSA-N	311.331	0.888	70	10	DCIE	
Cc1cn2ccnc(S(=O)(=O)CCS(=O)(=O)Cl)c2n1	2224443913	JVTKVLRNQRLWKC-UHFFFAOYSA-N	323.783	0.380	70	10	DCIE	
NC(=O)NC(=O)COc1ccc(S(=O)(=O)Cl)cc1F	215996254	IZACCRNMZUDBEE-UHFFFAOYSA-N	310.690	0.327	70	10	DCIE	
CC(C)(C)OC(=O)N1CCC(=O)[C@@H](CC(=O)NCCO)C1	160645150	ZCBLCZDNMQWMSH-JTQLQIEISA-N	300.355	0.311	70	10	DCIE	
CCOC(=O)CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1346847723	FGHARBSGUKKXAN-UHFFFAOYSA-N	306.315	0.698	70	10	DCIE	
C[C@@H]([C@@H](C)N(C)c1ncc([B-](F)(F)F)cn1)S(C)(=O)=O	2116149012	XRNZLYPYYZNMOL-SFYZADRCSA-N	310.130	0.789	70	10	DCIE	
CCCn1c([C@H]2CN(C)CCO2)nnc1S(=O)(=O)Cl	2131266774	SZZZRGBEUCJLHH-MRVPVSSYSA-N	308.791	0.619	70	10	DCIE	
O=C(NC[C@@H](O)Cc1ccccc1)N[C@H]1CCc2ncnn2C1	161308059	RDFQIZMAXFDTPC-KBPBESRZSA-N	315.377	0.496	70	10	DCIE	
CO[C@]1(CNC(=O)Cc2ccc(C(N)=S)cc2)CCOC1	160495354	ONNZJOFXOGWSFV-HNNXBMFYSA-N	308.403	0.785	70	10	DCIE	
CCCc1nnsc1-c1nc2c(=O)[nH]c(=O)n(CC)c2[nH]1	159804546	KWOJEUXQIJOMIL-UHFFFAOYSA-N	306.351	0.904	70	10	DCIE	
CCOC(=O)[C@H]1CNCCN1c1cnn(CC)c(=O)c1Cl	159618942	SPKPWVBWNFLUOI-SNVBAGLBSA-N	314.773	0.258	70	10	DCIE	
COc1cc(N)cc(-c2nnnn2[C@H](C)CS(C)(=O)=O)c1	159869236	LHDMMBMSFXYGBD-MRVPVSSYSA-N	311.367	0.537	70	10	DCIE	
CN([C@H](CN)C1CC1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2	159969301	CBBODOAESLWAHV-CYBMUJFWSA-N	309.391	0.539	70	10	DCIE	
Cc1cnn(-c2ccc(NC(=O)[C@@H]3C[C@H](O)CN3)cc2F)c1	159776665	QQQOOXWDOFALKK-AAEUAGOBSA-N	304.325	0.981	70	10	DCIE	
COC(=O)[C@H](c1cccnc1)N1CCO[C@H](Cn2cccn2)C1	159982953	SXUODJLWHNETCA-GJZGRUSLSA-N	316.361	0.893	70	10	DCIE	
O=C([C@@H]1COCCC1(F)F)N1CC[C@H](S(=O)(=O)F)C1	1973300593	VGJBWMIMOPDPTH-YUMQZZPRSA-N	301.286	0.558	70	10	DCIE	
CC(C)(CC(F)F)C(=O)NCC1CN(S(=O)(=O)F)C1	1974056034	ZQFZFGZOHLRHQM-UHFFFAOYSA-N	302.318	0.930	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1CCCSC1	1974395028	SZWVISQBHHMZEE-SECBINFHSA-N	310.416	0.925	70	10	DCIE	
CNc1ncccc1S(=O)(=O)NC[C@@]1(OC)CCOC1	161205786	XMTSBSFMLZVWTI-LBPRGKRZSA-N	301.368	0.207	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCO[C@@]3(CCOC3)C2)n1	2172765021	LPNXXSWAGZVGDU-LBPRGKRZSA-N	302.085	0.835	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@]23COC[C@H]2C3)c1S(=O)(=O)Cl	689325328	AVMUNXUAFWGOTA-RDDDGLTNSA-N	319.770	0.412	70	10	DCIE	
COCCn1c([C@H]2C[C@H]3CC[C@H]2O3)nnc1S(=O)(=O)Cl	387094735	BIDASVXCQOEMBD-HRDYMLBCSA-N	321.786	0.887	70	10	DCIE	
COCCn1c(-c2cc(C)ncn2)nnc1S(=O)(=O)Cl	2177370148	HOTXHQLUMQKGLA-UHFFFAOYSA-N	317.758	0.617	70	10	DCIE	
Cn1c(C2(S(C)(=O)=O)CCC2)nnc1S(=O)(=O)Cl	2047887447	ITUMUMUSSJFXLJ-UHFFFAOYSA-N	313.788	0.166	70	10	DCIE	
O=S1(=O)CC[C@@H]2CN(c3ncc(F)cc3[B-](F)(F)F)C[C@H]21	2188590934	TWIHGSZOEBTVTF-GMSGAONNSA-N	323.100	0.898	70	10	DCIE	
C[C@@H](CO[C@H]1CCN(S(C)(=O)=O)C1)CS(=O)(=O)Cl	2257818041	KURGTLZTTNWEIP-IUCAKERBSA-N	319.832	0.242	70	10	DCIE	
CCOCCCc1nnc(S(=O)(=O)Cl)n1CCOC	133334437	MZEJNBXSGDUSAP-UHFFFAOYSA-N	311.791	0.821	70	10	DCIE	
O=C(NC[C@H](O)Cn1ccccc1=O)c1cnc2ccccc2n1	218428331	CHAPNRVDNHDHLP-LBPRGKRZSA-N	324.340	0.582	70	10	DCIE	
O=C(N1CC(S(=O)(=O)F)C1)[C@]12CO[C@](C(F)(F)F)(C1)C2	2363794193	TXEQGTDZMPRQBY-KYZUINATSA-N	317.260	0.608	70	10	DCIE	
CC(C)Cn1c(=O)nc(O)c2cc(S(=O)(=O)F)cnc21	675065846	RLZQJKYVRYEAQV-UHFFFAOYSA-N	301.299	0.811	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N[C@]23COC[C@H]2C3)cc1	718103376	XIQNVZZMLOAGTH-LDYMZIIASA-N	321.351	0.412	70	10	DCIE	
Cc1nc(C)c(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)s1	1923179061	WGLODLOAVLUGJR-UHFFFAOYSA-N	318.355	0.826	70	10	DCIE	
CCc1c(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)nnn1CC	1923533387	ODCNJCQJNGPWPO-MRVPVSSYSA-N	304.347	0.374	70	10	DCIE	
COc1cc(NC(=O)[C@@H]2OCC[C@@H]2C)ccc1S(N)(=O)=O	160278998	IDYSQSMRVLNYLO-QPUJVOFHSA-N	314.363	0.706	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c1F	159453468	SOQMPTDSMZZGLR-UHFFFAOYSA-N	315.370	0.602	70	10	DCIE	
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](S(=O)(=O)F)C1	2144732832	JWBAWAAAPLFIMV-BDAKNGLRSA-N	308.375	0.437	70	10	DCIE	
O=C(Cc1ccc(F)cc1)NCC1CN(S(=O)(=O)F)C1	1974060776	XSFLNTMPOKDCRD-UHFFFAOYSA-N	304.318	0.631	70	10	DCIE	
COC(=O)Cn1ncc(N[C@@H](CN)C(C)C)c(Cl)c1=O	159602812	OQTHJPXOSBVWKQ-QMMMGPOBSA-N	302.762	0.465	70	10	DCIE	
Nc1ccc(F)cc1S(=O)(=O)NCCNC(=O)C1CC1	160646040	BUKKVZZYTMMECO-UHFFFAOYSA-N	301.343	0.212	70	10	DCIE	
C[S@@](=O)C1(CNC(=O)c2cc(S(=O)(=O)Cl)c[nH]2)CC1	380261889	VZULEXQOLPWZLB-GOSISDBHSA-N	324.811	0.583	70	10	DCIE	
CO[C@@H]1CN(c2nc(C)ncc2[B-](F)(F)F)[C@@H]2COC[C@@H]12	2172766210	CRLYDKXSEJSYHP-FBIMIBRVSA-N	302.085	0.689	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1COCCCO1	2182345189	XYEMICSXOMDNPP-SECBINFHSA-N	324.786	0.763	70	10	DCIE	
COCCn1c(C2(OC)CCC2)nnc1S(=O)(=O)Cl	2111534142	PKKNOPICUSVWHD-UHFFFAOYSA-N	309.775	0.878	70	10	DCIE	
NCC1(NS(=O)(=O)F)CCN(Cc2ccccc2)CC1	2241920750	NQVNURVWWNIZHE-UHFFFAOYSA-N	301.387	0.784	70	10	DCIE	
Cc1ccc(N)c(C(=O)NCC2CN(S(=O)(=O)F)C2)c1	2286933978	QZGACGSUVBIJDV-UHFFFAOYSA-N	301.343	0.453	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2CCC[C@H](C1)C2O	1123616703	NFPOIRJEQIQQDH-USUYBEQLSA-N	316.354	0.906	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cc1F)[C@@H]1CCS(=O)(=O)C1	2116157623	IVJYCFKKUZZTFW-MRVPVSSYSA-N	311.089	0.898	70	10	DCIE	
Cc1cc(C(N)=S)cc(N2CC[C@H](N3CCOCC3)C2)n1	161304963	GQDUGPPHXFQIMB-ZDUSSCGKSA-N	306.435	0.935	70	10	DCIE	
Nc1ncccc1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	160341082	UEEPAQNCLYBPMC-RISCZKNCSA-N	311.407	0.980	70	10	DCIE	
Cc1cc(OCC(=O)NC[C@H]2CN(CC(C)C)CCO2)nn1C	159740325	PDUOGPOSCITUTD-AWEZNQCLSA-N	324.425	0.580	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NS(=O)(=O)CC2CC2)c1	160329084	NRQBNZDXKJGZOE-UHFFFAOYSA-N	305.377	0.947	70	10	DCIE	
N[C@H]1CCC[C@@H](CCC(=O)NC2CCS(=O)(=O)CC2)C1	160974955	BPSIEAUNUONBLX-RYUDHWBXSA-N	302.440	0.978	70	10	DCIE	
C[C@H](CNC[C@H]1CCCN(S(C)(=O)=O)C1)N1CCCC1	161198338	CSMUVSXYWWDNHC-ZIAGYGMSSA-N	303.472	0.732	70	10	DCIE	
C[C@H](CN(C)C)Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	2224594180	WJALQXKBCXOSPI-SSDOTTSWSA-N	310.763	0.917	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1c(F)cccc1F	2287066559	CAYNJMLFBVBSRC-SSDOTTSWSA-N	308.281	0.983	70	10	DCIE	
NC(=S)c1ccc(OC[C@@H](O)CN2CCC[C@@H](O)C2)cc1	218448398	ZIPZZUMXVXDWNZ-OLZOCXBDSA-N	310.419	0.517	70	10	DCIE	
C=CCN(CC)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1317486842	DHGUVQDMISIVNY-UHFFFAOYSA-N	303.359	0.911	70	10	DCIE	
Cc1nn2cccnc2c1C(=O)N1CCS(=O)(=O)C(C)(C)C1	159942171	HNVFFPZOYGOLIK-UHFFFAOYSA-N	322.390	0.687	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1c1cccc(Cl)c1C(N)=S	159797170	VDCWLXBKHOUQLC-JTQLQIEISA-N	313.810	0.925	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1C[C@@H]1Br	1991400649	XCKHNXSJVBYUDD-BQBZGAKWSA-N	315.164	0.032	70	10	DCIE	
CCOC(=O)c1cnn(-c2nccn2C)c1S(=O)(=O)Cl	700991843	LNJOJBJIMXYSFW-UHFFFAOYSA-N	318.742	0.710	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCS(=O)(=O)[C@H](C)[C@H]2C)n1	2172757407	AXSKTNKPWTWGMX-HTQZYQBOSA-N	322.141	0.851	70	10	DCIE	
O=S1(=O)CC2(CCN(c3ncncc3[B-](F)(F)F)CC2)C1	2172775048	WKMOHDDWRRLOFX-UHFFFAOYSA-N	320.125	0.546	70	10	DCIE	
O=C(C[C@@H]1C[C@H]1C(F)(F)F)N1CCN(S(=O)(=O)F)CC1	2185244050	WXNQJOXKZYBQHP-JGVFFNPUSA-N	318.292	0.933	70	10	DCIE	
Cc1ccc(C#N)cc1S(=O)(=O)N1CC(S(=O)(=O)F)C1	2199697188	YUNAZPIMZPICPM-UHFFFAOYSA-N	318.351	0.539	70	10	DCIE	
C[C@H]1CCC[C@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)O1	2235192142	AUMJREBQKXHDMB-GXSJLCMTSA-N	308.375	0.739	70	10	DCIE	
O=[N+]([O-])c1nn(Cc2ncccn2)cc1S(=O)(=O)Cl	215923126	OITJKMBMKOACKQ-UHFFFAOYSA-N	303.687	0.557	70	10	DCIE	
CN(C[C@H]1CCCS1(=O)=O)c1ncc([B-](F)(F)F)cn1	2116150038	LABGRSOHNLBADP-SECBINFHSA-N	308.114	0.544	70	10	DCIE	
O=C1CC(S(=O)(=O)Nc2ccccc2S(=O)(=O)F)C1	2116698260	IZGVGAJVTGPVIX-UHFFFAOYSA-N	307.324	0.818	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)[C@H]2CCC[C@H]2F)CC1	2118899921	XTAXKTZSTNZWNM-ZJUUUORDSA-N	317.379	0.971	70	10	DCIE	
O=C(CCOCC(F)(F)F)N1CC(CS(=O)(=O)F)C1	2134973037	LKVMPGHTJUKUSF-UHFFFAOYSA-N	307.265	0.713	70	10	DCIE	
O=C(N[C@@H]1CC[C@H](O)[C@H](O)CC1)c1cc(S(=O)(=O)F)c[nH]1	1596717169	HTJIEGKNCXTCRH-FJPPDTINSA-N	320.342	0.067	70	10	DCIE	
Cc1cccc2[nH]c(CNC(=O)CN(C)S(C)(=O)=O)nc12	160531972	SOPXXXCWOHIVSY-UHFFFAOYSA-N	310.379	0.379	70	10	DCIE	
O=C(NCCNc1nc(Cl)nc(-n2cncn2)n1)C1CC1	160903693	WUTIWJSAVMAOGK-UHFFFAOYSA-N	308.733	0.044	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2[C@H]3CC[C@@H]2CC(O)C3)cc1N	159627277	GJRWYDNWUCFMPM-DHHPTOIESA-N	311.407	0.669	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)N(C)CCc2nccs2)C[C@H](C)O1	159633690	ZCTQITRQXBMACK-QWRGUYRKSA-N	319.452	0.971	70	10	DCIE	
COC(=O)Cn1ncc(N2C[C@@H](C)C[C@H](N)C2)c(Cl)c1=O	159799358	DCFPAALXRVUMFS-IUCAKERBSA-N	314.773	0.243	70	10	DCIE	
COC1CN(S(=O)(=O)N2CCC([B-](F)(F)F)CC2)C1	2223252069	ZQFRXXBZHAMOGO-UHFFFAOYSA-N	301.119	0.875	70	10	DCIE	
Cc1cc(O)cc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1	2287062454	GGZCNLUIWHONMW-SNVBAGLBSA-N	302.327	0.719	70	10	DCIE	
O=C(C[C@@H]1CCC1(F)F)N1CCN(S(=O)(=O)F)CC1	2335375133	WPMKMCMNQUQHBR-QMMMGPOBSA-N	300.302	0.780	70	10	DCIE	
O=C(N[C@@H](CS(=O)(=O)Cl)C(=O)O)OCc1ccccc1	306492301	PYEINAUQTIMUFH-VIFPVBQESA-N	321.738	0.935	70	10	DCIE	
COC(CNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1)OC	217287270	HCZWRJVUKCZTDR-ZDUSSCGKSA-N	321.377	0.706	70	10	DCIE	
Cc1nn(C[C@]2(C)CCNC2=O)c(C)c1S(=O)(=O)Cl	698366929	OLLAWDAPLMAQQK-NSHDSACASA-N	305.787	0.954	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](CNCCF)C1	1714365100	ACWMVADDTOPEHL-VIFPVBQESA-N	321.349	0.694	70	10	DCIE	
CCCOc1nc(Cl)nc(N2CCOC[C@H]2C(=O)NC)n1	160268451	XBODIXIHDQKJPO-QMMMGPOBSA-N	315.761	0.265	70	10	DCIE	
O=C(c1ccc2c(c1)OCCO2)N1CC(S(=O)(=O)F)C1	1968217349	JZIQWRZJFPTBQN-UHFFFAOYSA-N	301.295	0.582	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C[C@]12CCOC2	1974394844	QHYJSVGRKTWJBT-JQWIXIFHSA-N	306.359	0.208	70	10	DCIE	
CCNC[C@H](C)C(=O)Nc1cc(S(C)(=O)=O)ccc1O	160305186	NTJWULBEKUHSNW-VIFPVBQESA-N	300.380	0.980	70	10	DCIE	
C[C@@H]1C[C@H]1CNS(=O)(=O)N1CCC(CNC2CC2)CC1	160796322	SGGYBOQIABKAIJ-YPMHNXCESA-N	301.456	0.941	70	10	DCIE	
Cc1ncnc(N2C[C@@H]3OCCN(C)[C@@H]3C2)c1[B-](F)(F)F	2172757720	FUHUPHHHFHAGIK-ZJUUUORDSA-N	301.101	0.359	70	10	DCIE	
COc1nc(N2C[C@H](C)[C@@H](N(C)C)C2)ncc1[B-](F)(F)F	2172764910	KAFJYCPIQWWIEX-WPRPVWTQSA-N	303.117	0.926	70	10	DCIE	
CS(=O)(=O)CCOc1ccc(S(=O)(=O)F)cc1F	2071433363	YLLMEDQWLDZWFO-UHFFFAOYSA-N	300.304	0.907	70	10	DCIE	
COc1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)nc1	2287073595	WOMIMLWTKRTTTO-MRVPVSSYSA-N	303.315	0.109	70	10	DCIE	
CC1(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)F)C2)COC1	2271537342	SLTPVHWNWCYUSS-SECBINFHSA-N	315.388	0.116	70	10	DCIE	
C[C@]1(C(F)(F)F)C[C@@H]1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287080537	SEWRYDKYRBVODA-BHNWBGBOSA-N	318.292	0.980	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1c(O)cccc1O	2287077379	WJXGYBLNJZEOPV-SSDOTTSWSA-N	304.299	0.116	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2CCCO2)c1S(=O)(=O)Cl	115016897	LETAIXOLXYUEHT-ZETCQYMHSA-N	307.759	0.554	70	10	DCIE	
CCOC(=O)N1CCC(NC(=O)NCOCCOC)CC1	217311174	WRAPODGSNJOEKQ-UHFFFAOYSA-N	303.359	0.527	70	10	DCIE	
C[C@@H](C(=O)N1CCN(S(=O)(=O)F)CC1)[C@H]1CCCCO1	2163667818	QJRXPFMXRRDPTR-GHMZBOCLSA-N	308.375	0.550	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@H]2COC[C@H]21	2118024199	WXDUZDIYAFNZAZ-MBTKJCJQSA-N	304.755	0.327	70	10	DCIE	
CC[C@](C)(NC(=O)c1cccc(S(=O)(=O)F)c1)C(N)=O	1538433267	XSCBXUYRXHYTCT-LBPRGKRZSA-N	302.327	0.729	70	10	DCIE	
O=C(N[C@@H](CNCCF)C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1670522671	MPFOPGBZMDQMOU-NSHDSACASA-N	321.349	0.740	70	10	DCIE	
COC[C@@H](O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1	161121821	QCPWXSJYSFHJAT-HIFRSBDPSA-N	320.389	0.862	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1Cc1nc(N)c2ccsc2n1	160381886	ZTLDOUDNCRKTGT-VIFPVBQESA-N	307.379	0.220	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NCCNC(=O)C2CC2)c1F	160644535	LOWUEDXWXHYEKZ-UHFFFAOYSA-N	315.370	0.521	70	10	DCIE	
O=C(N[C@H]1CCc2ncnn2C1)N[C@@H](CO)Cc1ccccc1	160941347	XVZAPCQMTXLRQX-UONOGXRCSA-N	315.377	0.496	70	10	DCIE	
CNC(=O)[C@@H]1CCCN1C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	159559238	FUPQSUULZFPBLL-QWRGUYRKSA-N	310.398	0.306	70	10	DCIE	
COc1cccc(C(=O)NCC2CN(S(=O)(=O)F)C2)c1	1974059341	LCECRDSHFWKFAH-UHFFFAOYSA-N	302.327	0.571	70	10	DCIE	
CS[C@H]1CN(CCCS(=O)(=O)Cl)C[C@@H]1N(C)C	2004060096	UVTROICSRANAEJ-UWVGGRQHSA-N	300.877	0.923	70	10	DCIE	
COC(=O)Cn1ncc(NC[C@@H]2CCNC2)c(Cl)c1=O	159823284	VRPUQTXKMMKVBT-MRVPVSSYSA-N	300.746	0.091	70	10	DCIE	
CC(C)NCCn1cc(S(=O)(=O)NC[C@@H]2C[C@H]2C)cn1	160833131	VDXBXXIIZNUSJW-NEPJUHHUSA-N	300.428	0.815	70	10	DCIE	
COc1ccc(C(=O)NCC2COC2)cc1S(=O)(=O)Cl	2154132963	OIVVVJJBBCSEGR-UHFFFAOYSA-N	319.766	0.999	70	10	DCIE	
C[C@@H](Oc1ccc(F)cc1S(=O)(=O)F)C(=O)NC(N)=O	2191413906	LGICKOPCQNIXSV-RXMQYKEDSA-N	308.262	0.446	70	10	DCIE	
O=C(Nc1ccc(S(=O)(=O)Cl)cc1)C1CS(=O)(=O)C1	2097402110	SXXNZWBQWIYKTN-UHFFFAOYSA-N	323.779	0.597	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cnc(Cl)cn1	2271496127	UIRHSXNRKFQTMX-LURJTMIESA-N	308.722	0.148	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1[C@H]1CCS(=O)(=O)C1	112141794	DQERYQMKXKEPTP-ZETCQYMHSA-N	312.800	0.733	70	10	DCIE	
C[C@H](Oc1ccc(S(=O)(=O)Cl)cc1C(=O)O)C(N)=O	215641506	ZEJHJWZBLYVRPH-YFKPBYRVSA-N	307.711	0.565	70	10	DCIE	
C#CC1CCC(C(=O)N2CCN(S(=O)(=O)F)CC2)CC1	2363932499	USOPYYRKRHJMNE-UHFFFAOYSA-N	302.371	0.785	70	10	DCIE	
CC[C@@H](NC(C)=O)C(=O)Nc1ncc(S(=O)(=O)F)s1	1131810142	HUMDSLQQEWMVTQ-ZCFIWIBFSA-N	309.344	0.655	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1[C@H]2CC[C@H]1[C@@H](CO)C2	1351947363	WCHOAWBGUJRFSL-FYBVGQRMSA-N	302.327	0.658	70	10	DCIE	
CC[C@]1(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CC1(F)F	1923179141	XRVJZXMZNNMZPX-SECBINFHSA-N	311.285	0.874	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cccc(Cl)n2)[nH]1	1923141408	KGNXDISABWARPC-UHFFFAOYSA-N	318.717	0.801	70	10	DCIE	
CC(=O)N[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(C)C	1582930061	XBNMQOWINLZANF-LLVKDONJSA-N	319.358	0.563	70	10	DCIE	
CCOc1c(F)cccc1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1	161297454	XIXHSTRUUYHJLP-BXKDBHETSA-N	310.325	0.987	70	10	DCIE	
C[C@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCC(=O)N(C)C3)ccc2O1	160084028	PIIRZJDVVFOPSS-CMPLNLGQSA-N	324.402	0.909	70	10	DCIE	
O=C(NC[C@@H]1CN(C2CC2)CCO1)C(=O)Nc1ccccc1	160405431	NJCRDSCCJCLRTM-CQSZACIVSA-N	303.362	0.605	70	10	DCIE	
N[C@H]1CCC[C@@H](NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1	160888715	ZGJLZAQSXAETJO-WDEREUQCSA-N	316.361	0.076	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)[C@@H]1[C@H]2CCCC[C@H]21	1945736191	WLTUQLMTBCAXGZ-BRPSZJMVSA-N	301.817	0.663	70	10	DCIE	
C[C@H]1CCO[C@H]1CC(=O)NC1CCN(S(=O)(=O)F)CC1	1974394656	MRABCAOWBCZUNQ-ONGXEEELSA-N	308.375	0.596	70	10	DCIE	
C[C@H]1CC[C@H](CN)CN1c1cnn(CCO)c(=O)c1Cl	159530298	NAKLPNHOQUFZFW-VHSXEESVSA-N	300.790	0.453	70	10	DCIE	
CS(=O)(=O)N1CCN(C(=O)c2cccc(N)c2Cl)CC1	160287353	GFLQSSLXQNZYPA-UHFFFAOYSA-N	317.798	0.640	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1C[C@H]2OCCN(C)[C@@H]2C1	2172790470	SXZKOLOKKPYLMI-VXGBXAGGSA-N	300.113	0.964	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@]12CCOC[C@@H]1C2	2194442842	GIBNJTONAKKEMT-CABZTGNLSA-N	306.359	0.208	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1COC[C@H]1F	2191489050	NBTAZRIFVHWOFA-RKDXNWHRSA-N	324.761	0.902	70	10	DCIE	
O=C(c1n[nH]c2c1CCCC2)N1CC(CS(=O)(=O)F)C1	2199684384	NTELEGRFAYEYAM-UHFFFAOYSA-N	301.343	0.660	70	10	DCIE	
O=C([C@@H]1CCn2nccc2C1)N1CC(CS(=O)(=O)F)C1	2199684447	OUOWHUDINQXBLA-SNVBAGLBSA-N	301.343	0.203	70	10	DCIE	
O=C([C@H]1C[C@H]2COC[C@H](C2)C1)N1CC(CS(=O)(=O)F)C1	2206844414	GPVPHLADSZZMFX-PEGIJTEDSA-N	305.371	0.807	70	10	DCIE	
Cc1nc(CC(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cs1	2271503208	PEKPGGGFEJWHRP-MRVPVSSYSA-N	307.372	0.399	70	10	DCIE	
COCCn1c(-c2c[nH]nc2OC)nnc1S(=O)(=O)Cl	2283800723	USKPAUCUEYTIQU-UHFFFAOYSA-N	321.746	0.251	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C(F)(F)C12CCC2	2287066372	WEGSZNJAPNFGGE-YUMQZZPRSA-N	312.313	0.827	70	10	DCIE	
NC(=O)COc1cc(F)c(S(=O)(=O)Cl)cc1[N+](=O)[O-]	215632426	NJPICFHSOZNIQN-UHFFFAOYSA-N	312.662	0.526	70	10	DCIE	
Cc1nn(C[C@H]2CN(C)C(=O)O2)c(C)c1S(=O)(=O)Cl	690559266	QCCWTWKQZVGQOR-MRVPVSSYSA-N	307.759	0.878	70	10	DCIE	
COC(=O)[C@@H]1C[C@H](S(=O)(=O)F)CN1C(=O)OC(C)(C)C	1887435006	NMZUVQOIUHMLEK-YUMQZZPRSA-N	311.331	0.837	70	10	DCIE	
CN(C)C(=O)COc1ccc(C(=O)O)cc1S(=O)(=O)Cl	215657600	FWJSJSZEWUSVJY-UHFFFAOYSA-N	321.738	0.779	70	10	DCIE	
Cc1cc(C[C@@H](C)NC(=O)c2ccccc2OCC(N)=O)n[nH]1	161226577	SBSVBSBFFDJWLA-SNVBAGLBSA-N	316.361	0.943	70	10	DCIE	
COCC(=O)N(C)CC(=O)NCc1nc2c(C)cccc2[nH]1	160476831	SYODXXNQMFEHHZ-UHFFFAOYSA-N	304.350	0.592	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)C1(C(N)=S)CCC1	159777192	FGKAGDNSTGWYKB-SNVBAGLBSA-N	313.423	0.196	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCN(C3CC3)CC2)cc1N	159587265	ISGWIFQBAHXQHZ-UHFFFAOYSA-N	310.423	0.461	70	10	DCIE	
COCCn1c(-c2c[nH]ccc2=O)nnc1S(=O)(=O)Cl	234671667	JUOWEDNDDBJBMV-UHFFFAOYSA-N	318.742	0.207	70	10	DCIE	
C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CC[C@H](S(=O)(=O)F)C1	2144732394	FHNNMTBNCSZTNL-KXUCPTDWSA-N	306.359	0.049	70	10	DCIE	
COc1ccccc1CC(=O)N1CC(CS(=O)(=O)F)C1	1968215967	QAHDHZQMCVBZBK-UHFFFAOYSA-N	301.339	0.995	70	10	DCIE	
CC(=O)N[C@H](C(=O)N1CCC[C@@H](S(=O)(=O)F)C1)C(C)C	1968227668	QFOJEHVZDAWEEU-MNOVXSKESA-N	308.375	0.437	70	10	DCIE	
O=C([C@@H]1CC2(CCC2)CO1)N1CCN(S(=O)(=O)F)CC1	1974015213	RCDIJZUKFNVDFN-JTQLQIEISA-N	306.359	0.304	70	10	DCIE	
CCNC(=O)CCn1nc([N+](=O)[O-])c(S(=O)(=O)Cl)c1C	302313475	ONBNBKHYWZGYCE-UHFFFAOYSA-N	324.746	0.553	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2CC(Cl)C2)c1	2223827649	BTHYXWKMHPOCHS-UHFFFAOYSA-N	313.759	0.957	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@H]2[C@@H](C1)C2(F)F	2287078561	IEZDKVQBPOEVCW-XSPKLOCKSA-N	312.313	0.683	70	10	DCIE	
Cn1cnc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)n1	460097433	SZGLNNPXTCVJNB-UHFFFAOYSA-N	320.327	0.274	70	10	DCIE	
C[C@H](CCCN1C[C@@H]2[C@H](C1)CS2(=O)=O)S(=O)(=O)Cl	2314813282	DRBJVRZSZQBLAO-OPRDCNLKSA-N	315.844	0.453	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CO[C@@H](C)[C@@H]2C)c1S(=O)(=O)Cl	405554868	BUOPWHINMHNAKZ-APQOSEDMSA-N	321.786	0.799	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC[C@H]2C[C@@H]1CO2	2359646938	HDYHERNDZPEVCY-CHWFTXMASA-N	306.359	0.206	70	10	DCIE	
C#CC1CCC(C(=O)NCC2CN(S(=O)(=O)F)C2)CC1	2363808686	XFQCCTDPLKOOLO-UHFFFAOYSA-N	302.371	0.688	70	10	DCIE	
CC(C)n1c(-c2nnn3c2CCC3)nnc1S(=O)(=O)Cl	2363961347	FLHGKJSYQRTDCS-UHFFFAOYSA-N	316.774	0.991	70	10	DCIE	
CCNC(=O)[C@@H](C)n1cc(S(=O)(=O)Cl)nc1COC	2125953222	HCBYKSOOHFHSLW-SSDOTTSWSA-N	309.775	0.654	70	10	DCIE	
CN(C)C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1263716847	OSHYUYRYONBDCX-VIFPVBQESA-N	303.359	0.839	70	10	DCIE	
O=C1CNC(=O)N1CCN1CC[C@@H](CNc2ccccn2)C1	160906389	KOFPKAHMRUQCRD-LBPRGKRZSA-N	303.366	0.367	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cc(N)cc(F)c2F)CCOC1	159902595	FGDWBLBDEJNCSG-GFCCVEGCSA-N	322.333	0.631	70	10	DCIE	
CS(=O)(=O)CCCN1CCOC[C@@H]1C[C@H](O)c1ccco1	159513779	JGZJFNVEARROIP-STQMWFEESA-N	317.407	0.839	70	10	DCIE	
CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	159558945	FUPQSUULZFPBLL-WDEREUQCSA-N	310.398	0.306	70	10	DCIE	
Cc1nc(Cn2nc(C)c(S(=O)(=O)Cl)c2C)n(C)n1	707892695	KQQVPAIOCMGLAM-UHFFFAOYSA-N	303.775	0.913	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CCNC1=O	2185182600	LGEROERIJYZLEW-QMMMGPOBSA-N	321.786	0.483	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ncoc1C1CCC1	2284150166	HRXBDEOCVDZNGZ-UHFFFAOYSA-N	303.315	0.570	70	10	DCIE	
CCC(=O)NC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1358543626	WCKUGXOOWKJIHG-ZETCQYMHSA-N	305.331	0.317	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2CCO[C@H]2C)c1S(=O)(=O)Cl	300589379	JZNXRCHQXOBXSB-JGVFFNPUSA-N	321.786	0.800	70	10	DCIE	
COc1ccc([C@@H](O)CNC(=O)C(=O)NC2CC2)cc1OC	217377937	BXLNXMNHRNWZRN-NSHDSACASA-N	308.334	0.132	70	10	DCIE	
CC(C)[C@@H](O)C(C)(C)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2365776921	SEAWNZNCVNSMHH-VHSXEESVSA-N	310.391	0.434	70	10	DCIE	
C[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C[C@@H](C)O1	2163664778	GEZZZAPIPISXHW-URLYPYJESA-N	308.375	0.549	70	10	DCIE	
CCN(c1ncncc1[B-](F)(F)F)[C@@H]1CCS(=O)(=O)C1	2116142662	POZBBIMRHNEZJV-MRVPVSSYSA-N	308.114	0.544	70	10	DCIE	
CN1C[C@H](NS(=O)(=O)N(C)C2CCCCC2)CCC1=O	160059263	DBHKHFHANNGACD-LLVKDONJSA-N	303.428	0.706	70	10	DCIE	
O=C(NC[C@H](O)CN1CCCCC1)c1cccc2c1OCO2	160470586	SVIFDMSHMRLJOS-LBPRGKRZSA-N	306.362	0.992	70	10	DCIE	
CCNC(=O)NC(=O)[C@H](C)OC1CCC(C(=O)OC)CC1	160485490	WHFZWBQGTPNJCC-WHXUTIOJSA-N	300.355	0.969	70	10	DCIE	
COCCC[C@@H](N)C(=O)Nc1ccccc1S(N)(=O)=O	159379505	YMJOZXMEFRMUBO-SECBINFHSA-N	301.368	0.026	70	10	DCIE	
Cc1cc(=O)c(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)c[nH]1	2144732130	BTVRTODHXXSOQP-VIFPVBQESA-N	302.327	0.587	70	10	DCIE	
O=C(c1cc(Cl)ccn1)N1CCN(S(=O)(=O)F)CC1	1974000933	JOZGABQQMHYHGY-UHFFFAOYSA-N	307.734	0.707	70	10	DCIE	
CCc1nc(C(=O)NCC2CN(S(=O)(=O)F)C2)c(C)o1	1974055786	WEUQGQITYMCHKL-UHFFFAOYSA-N	305.331	0.421	70	10	DCIE	
CCOC1CC(CC(=O)NCC2CN(S(=O)(=O)F)C2)C1	1974054717	HOWFCGQJOBMSKF-UHFFFAOYSA-N	308.375	0.454	70	10	DCIE	
N#CC1(CS(=O)(=O)N2CC(CCS(=O)(=O)F)C2)CCC1	2199687283	GKEOJTIRBACGLG-UHFFFAOYSA-N	324.399	0.631	70	10	DCIE	
CC(C)c1[nH]nc(C(=O)NC2COC2)c1S(=O)(=O)Cl	2109038468	HNYDRLIFJYALSC-UHFFFAOYSA-N	307.759	0.589	70	10	DCIE	
COCCn1c(-c2coc(C)n2)nnc1S(=O)(=O)Cl	2092730053	CDFMCYQRVZFNKO-UHFFFAOYSA-N	306.731	0.815	70	10	DCIE	
Cc1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c(O)n1	2287075824	PFENGUDWDNJDKY-MRVPVSSYSA-N	303.315	0.114	70	10	DCIE	
CC(=O)N[C@H](C)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1287723078	WACRQVFXUYKQPG-SSDOTTSWSA-N	305.331	0.270	70	10	DCIE	
C[C@@H](C(=O)Nc1ncc(S(=O)(=O)F)s1)S(C)(=O)=O	1534595545	KYEGDNSVZHHOFV-BYPYZUCNSA-N	316.357	0.173	70	10	DCIE	
Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CCN(c2ccccn2)C1	161437009	XOCKBGOSKAZMCZ-GFCCVEGCSA-N	313.361	0.528	70	10	DCIE	
COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1OCC[C@H]1C	160269698	DVSXQUFEPCXGBQ-PELKAZGASA-N	314.363	0.706	70	10	DCIE	
CN(C)CCn1ncc(N[C@@](C)(CN)C2CC2)c(Cl)c1=O	159890810	PXHLPCMTBLWJTO-AWEZNQCLSA-N	313.833	0.998	70	10	DCIE	
CNS(=O)(=O)c1ccc(NC[C@@]2(OC)CCOC2)cc1N	159976983	NXMXXRIVYAVRGG-ZDUSSCGKSA-N	315.395	0.394	70	10	DCIE	
CO[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	234931472	YAZKJIZVDRYFJW-VIFPVBQESA-N	323.367	0.754	70	10	DCIE	
COc1cccc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)n1	1968227614	PPOSQZNEJVJDTK-VIFPVBQESA-N	302.327	0.994	70	10	DCIE	
CCOC(=O)CCC(=O)NC1CCN(S(=O)(=O)F)CC1	1974403496	ZPBXLKROUXPWOI-UHFFFAOYSA-N	310.347	0.125	70	10	DCIE	
COCCn1c([C@@H]2C[C@]23CCOC3)nnc1S(=O)(=O)Cl	2156717641	CTUJRRLHRPTWPY-KWQFWETISA-N	321.786	0.746	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)[C@@H]2CO[C@H](C)C2)c1S(=O)(=O)Cl	401384404	JJDRIAWYKFZJHI-SVRRBLITSA-N	321.786	0.895	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2CC[C@@H](C)OC2)c1S(=O)(=O)Cl	401390567	NMUDQYFZCQCCSY-SVRRBLITSA-N	321.786	0.943	70	10	DCIE	
CC1(C)OCCO[C@H]1C(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2186788886	NTMIAJSYCAUFDD-ZJUUUORDSA-N	309.359	0.471	70	10	DCIE	
CCN1CC[C@H](OC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	2238499380	NSCBRIHDIXYGQT-QMMMGPOBSA-N	321.786	0.897	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)C1(CC(F)(F)F)CC1	2268794368	CJJZTYABSKVFKQ-UHFFFAOYSA-N	304.265	0.734	70	10	DCIE	
CC1(OCC(=O)NC2CN(S(=O)(=O)F)C2)CCCCC1	2284143030	SDBZTWBSUOXCQS-UHFFFAOYSA-N	308.375	0.741	70	10	DCIE	
CC12CC(C(=O)N[C@H]3CCN(S(=O)(=O)F)C3)(CCO1)C2	2287079567	MTJOVRFMQUXOGF-GCVQQVDUSA-N	306.359	0.350	70	10	DCIE	
COCc1nc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cs1	2287078349	ZZRWGOQPEKCODK-SSDOTTSWSA-N	323.371	0.308	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1cnc2c(n1)CCCC2	312031324	XURKKFKHEKJQCO-UHFFFAOYSA-N	324.811	0.698	70	10	DCIE	
C[C@@H](c1ccccc1)N1C[C@H](NC(=O)N(C)CCO)CC1=O	217284239	BMMYOSZSTSBGPZ-GXTWGEPZSA-N	305.378	0.982	70	10	DCIE	
CN(C)CCN(C1CCOCC1)S(=O)(=O)c1cccnc1	217284712	HWIYXLVTYMYXFU-UHFFFAOYSA-N	313.423	0.813	70	10	DCIE	
C#C[C@@]1(O)CCN(C(=O)c2ccc(S(=O)(=O)Cl)cc2)C1	707973749	BZUVPRNSZHPWPY-CYBMUJFWSA-N	313.762	0.824	70	10	DCIE	
C#CCOCCNC(=O)c1ccc(S(=O)(=O)F)c(OC)c1	904388680	MUQOPPOUDOIKAS-UHFFFAOYSA-N	315.322	0.733	70	10	DCIE	
CN1CCN(C[B-](F)(F)F)[C@@H](CNC(=O)C(F)(F)F)C1	1954657167	VWKCHXAQTCGONL-ZETCQYMHSA-N	306.039	0.668	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CC(=O)NCCOC	215803697	QELSKCOOKDSYAF-UHFFFAOYSA-N	309.775	0.136	70	10	DCIE	
CCOCCN[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1317262369	CHKPHOBZYOXARL-SECBINFHSA-N	321.374	0.417	70	10	DCIE	
C[C@@H](CNC[C@@H](C)O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1666619656	HTRDQOWJYZFRLN-DTWKUNHWSA-N	321.374	0.009	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1c1ccnc(C(N)=S)c1	159814166	XJOIXMXTCJTDNM-GFCCVEGCSA-N	308.407	0.446	70	10	DCIE	
CCc1nc(CC)n(-c2ccc(S(=O)(=O)NC)c(N)c2)n1	159655437	JESJAZANENHSRQ-UHFFFAOYSA-N	309.395	0.882	70	10	DCIE	
COC(=O)Cn1ncc(N[C@@](C)(CN)C(C)C)c(Cl)c1=O	159913945	BWYDAMUYILFQGT-ZDUSSCGKSA-N	316.789	0.855	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1C[C@@H]2OCC[C@H]21	2151831148	SPUXJDGMVHPAEK-NGZCFLSTSA-N	318.782	0.860	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)c2ccc(Cl)o2)C1	2022183129	NDZLKLYDKJVKSE-UHFFFAOYSA-N	303.720	0.605	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C[C@H]1C(F)(F)F	2169024227	DLSGTQZAHIULQF-HTQZYQBOSA-N	318.292	0.980	70	10	DCIE	
COC1CN(S(=O)(=O)N2CCC[C@H]([B-](F)(F)F)C2)C1	2070264095	MKRWQEXMJOHTBT-QMMMGPOBSA-N	301.119	0.875	70	10	DCIE	
O=C(COc1cccc(F)c1)N1CC(CS(=O)(=O)F)C1	2199693267	OCJWANMONBWBRJ-UHFFFAOYSA-N	305.302	0.962	70	10	DCIE	
Cn1nccc1CNC(=O)c1cccc(C(=O)N2CCCC2)n1	160095201	JBRLXAIZDZJYBN-UHFFFAOYSA-N	313.361	0.981	70	10	DCIE	
C[C@@H]1C[C@H]1CNC(=O)[C@@H]1COc2ccc(S(N)(=O)=O)cc21	160341034	JEEWEUDWSXDIRL-VDDIYKPWSA-N	310.375	0.582	70	10	DCIE	
C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)[C@@H](C)CO	160401010	BTZHVNNZRIRFLO-IUCAKERBSA-N	304.368	0.277	70	10	DCIE	
COC(=O)[C@@H](O)CNC(=O)/C=C/c1c(C)nn(C)c1Cl	217742256	IMNYMZFTFOQMAE-MOVJSRMASA-N	301.730	0.045	70	10	DCIE	
O=C(N[C@@H]1CCC[C@H](OCC(F)(F)F)C1)[C@@H]1C[C@@H](O)CN1	217743154	WBYRYLSZIOTAMK-ZNSHCXBVSA-N	310.316	0.716	70	10	DCIE	
CCN1C[C@H](C(=O)N2CCC[C@H](S(=O)(=O)F)C2)CC1=O	1968226857	HQLARGGDULEZNQ-ZJUUUORDSA-N	306.359	0.145	70	10	DCIE	
Cc1ncn(C)c1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394626	MCHZKPFLIQRSQB-UHFFFAOYSA-N	304.347	0.137	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCS(=O)(=O)C(C)(C)C2)n1	2172757721	FVFLJYSHXHFSSE-UHFFFAOYSA-N	322.141	0.853	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1C[C@@H]2C[C@H]2CO1	2179429647	PMULQUXELGWUNO-FXQIFTODSA-N	320.754	0.301	70	10	DCIE	
NC(=O)CCOc1c(F)cc([N+](=O)[O-])cc1S(=O)(=O)F	2191426825	UUPFPNVGXDSSCL-UHFFFAOYSA-N	310.234	0.646	70	10	DCIE	
NC(=O)c1ccc(C(=O)N2CC(CS(=O)(=O)F)C2)cc1	2199698860	SFXSTWKYCPHPKH-UHFFFAOYSA-N	300.311	0.157	70	10	DCIE	
COc1ccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)cn1	2207113530	IMULNAFTDFQWKY-SECBINFHSA-N	324.355	0.153	70	10	DCIE	
COc1ccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)cn1	2207113531	IMULNAFTDFQWKY-VIFPVBQESA-N	324.355	0.153	70	10	DCIE	
O=C([C@H]1OCC[C@@H]1C(F)(F)F)N1CC(S(=O)(=O)F)C1	2231812421	LRHBVWIFFDCXJB-BQBZGAKWSA-N	305.249	0.464	70	10	DCIE	
O=C(C=Cc1ccc(O)cc1)NC1CN(S(=O)(=O)F)C1	2284152429	XHKPYMFECDSHMK-UHFFFAOYSA-N	300.311	0.420	70	10	DCIE	
CC(C)Cn1c(-c2cnn(C)n2)nnc1S(=O)(=O)Cl	302663096	JROIHKFUAUMRPJ-UHFFFAOYSA-N	304.763	0.657	70	10	DCIE	
CN[C@H](C)c1ccc(S(=O)(=O)N(C)C[C@@H](O)COC)cc1	218037588	LIKPRZKUJIYYLK-DGCLKSJQSA-N	316.423	0.595	70	10	DCIE	
COc1cccc(CN(C)S(=O)(=O)N2CCC[C@@H](N)C2)c1	217838433	VBXOVJLJLUJODD-CYBMUJFWSA-N	313.423	0.795	70	10	DCIE	
COc1nc(N2CC[S@](=O)[C@@H](C)C2)ncc1[B-](F)(F)F	2116130901	OSMGKJIPPONISW-JKNYTWMOSA-N	308.114	0.497	70	10	DCIE	
CN(CCCO)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1265036651	IFSBGFYCHZIXOW-UHFFFAOYSA-N	321.374	0.107	70	10	DCIE	
COCC(COC)c1nnc(S(=O)(=O)Cl)n1C1CC1	1910288141	PBQOYRBRLRNDFU-UHFFFAOYSA-N	309.775	0.917	70	10	DCIE	
CS(=O)(=O)CCCCN1CCN(C(=O)[C@H]2CCCO2)CC1	161174055	UOJFYWMUBZOLCR-CYBMUJFWSA-N	318.439	0.134	70	10	DCIE	
CC(C)N1C[C@@H](C)[C@@H](NC(=O)CCSc2nnnn2C)C1	161388440	SAMPDHOJSYTPIV-MNOVXSKESA-N	312.443	0.537	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1ccc(CN)cc1	161488065	HREQSTFVWBFJPD-UHFFFAOYSA-N	314.407	0.307	70	10	DCIE	
C[C@@H](N)[C@@H]1CCN(c2cnn(CCN(C)C)c(=O)c2Cl)C1	160002452	IGCIODPDHVJPOX-GHMZBOCLSA-N	313.833	0.632	70	10	DCIE	
C[C@H]1C[C@H](N)CN(c2cnn(CCN(C)C)c(=O)c2Cl)C1	159798304	DLTQUFKMECIGQA-QWRGUYRKSA-N	313.833	0.632	70	10	DCIE	
O=S(=O)(N1CCOCC1)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	1879776076	MOXHFGLHLYPNKI-ZJUUUORDSA-N	313.130	0.877	70	10	DCIE	
O=C(NCC(=O)N1CC[C@@H](S(=O)(=O)F)C1)c1cccs1	2144733679	SGECOXLGOFVYFW-MRVPVSSYSA-N	320.367	0.378	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C(F)(F)C12CC2	1974394465	JKCSCLSFPXKTMR-QMMMGPOBSA-N	312.313	0.827	70	10	DCIE	
CCCN(CCCS(=O)(=O)Cl)CCS(C)(=O)=O	2003846382	YVLQSHKHIZATRV-UHFFFAOYSA-N	305.849	0.702	70	10	DCIE	
CNC(=O)[C@H]1COCCN1c1ccc(C(N)=S)cc1Cl	159799948	IGTKHWYLXOYTRT-LLVKDONJSA-N	313.810	0.925	70	10	DCIE	
Nc1cc(S(=O)(=O)NCCNC(=O)C2CC2)ccc1Cl	160643575	GQTZLEXENHERSW-UHFFFAOYSA-N	317.798	0.727	70	10	DCIE	
COCCOCCOCCOc1ncc([B-](F)(F)F)cn1	2172634401	OKOPHOQNKGWCFT-UHFFFAOYSA-N	309.073	0.589	70	10	DCIE	
CN(c1nccc(OS(=O)(=O)C(F)(F)F)n1)C1CNC1	2081067093	VZFQAMTWEOCAFX-UHFFFAOYSA-N	312.273	0.113	70	10	DCIE	
CO[C@H](C)[C@H](C)NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2105039043	WGZXQGUFVXHNQZ-CAHLUQPWSA-N	309.775	0.799	70	10	DCIE	
COC[C@@H]1C[C@@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2117728687	QVXBSCSVUSZZHG-BQBZGAKWSA-N	307.759	0.410	70	10	DCIE	
CCC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC	1652888754	QCKAOKUWTQJZAA-MRVPVSSYSA-N	306.315	0.744	70	10	DCIE	
COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1nocc1C	161262574	SQWGPWBMOPRCEV-NSHDSACASA-N	310.354	0.149	70	10	DCIE	
CO[C@H](C(=O)N1CCC(S(=O)(=O)F)CC1)[C@@H]1CCCO1	1972663983	FYRNROINHKOVDY-QWRGUYRKSA-N	309.359	0.471	70	10	DCIE	
O=S(=O)(Cl)CCOCCOC[C@H]1COCCCO1	2036482188	GJJLOKQNIAHSOS-SNVBAGLBSA-N	302.776	0.394	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)C1CC2(COC2)C1	2176499881	WUABDXPCWWEEMY-UHFFFAOYSA-N	306.359	0.208	70	10	DCIE	
CN(C[C@@H]1CC(=O)N1S(=O)(=O)Cl)C(=O)OC(C)(C)C	2242015306	JQERCGLXTFJYOK-ZETCQYMHSA-N	312.775	0.938	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cc(O)ccc1O	2287064891	HEDWGCBNAITADF-ZETCQYMHSA-N	304.299	0.116	70	10	DCIE	
CC(C)c1nnsc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287069456	QMCVPUUDURXMGL-SSDOTTSWSA-N	322.387	0.680	70	10	DCIE	
CC(=O)N1CCN(C(=O)N[C@H](C)Oc2ccc(O)cc2)CC1	217277528	DDLCQPLBOXPMQF-NSHDSACASA-N	307.350	0.991	70	10	DCIE	
C#CCN(C)S(=O)(=O)c1cccc(S(=O)(=O)Cl)c1	130163622	RWMXICUQAHHJPK-UHFFFAOYSA-N	307.780	0.868	70	10	DCIE	
Cc1[nH]nc(C(=O)N2C[C@H](F)[C@H](F)C2)c1S(=O)(=O)Cl	714535791	CTEPRTNOTMYCDW-OLQVQODUSA-N	313.713	0.778	70	10	DCIE	
COCCn1c([C@@H]2[C@H]3CCO[C@@H]23)nnc1S(=O)(=O)Cl	2119955466	UUKRCAAGRDZNQL-BWZBUEFSSA-N	307.759	0.354	70	10	DCIE	
CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2S(=O)(=O)F	1903813186	AZTMCGSFYUYCPI-VHSXEESVSA-N	324.374	0.911	70	10	DCIE	
COC[C@@H](C)NS(=O)(=O)c1ccc(OCCCO)cc1	217296748	QIALWWBQHSVICX-LLVKDONJSA-N	303.380	0.761	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2c(Cl)cnn2C)[nH]1	1923163227	CPRBPNGQCGPSJN-UHFFFAOYSA-N	321.721	0.139	70	10	DCIE	
COC(=O)C[C@H]1CN(c2cc(C(N)=S)cc(C)n2)CCO1	161357830	LEOAHNIACHIJAB-NSHDSACASA-N	309.391	0.793	70	10	DCIE	
C[C@@H](NCCNC(=O)N(C)C)c1ccc(S(N)(=O)=O)cc1	160765049	GNIARTCXQPQHEK-SNVBAGLBSA-N	314.411	0.256	70	10	DCIE	
Cc1nn(C)c(Cl)c1CN1CCOC[C@H]1C(=O)NC1CC1	159496480	WSNIFKINABXKCF-LBPRGKRZSA-N	312.801	0.861	70	10	DCIE	
N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2144732865	KCBYEXAMJVWIRV-SNVBAGLBSA-N	318.351	0.621	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C(F)(F)CC1CC1	1974055285	OYZUACUZVCDNSL-UHFFFAOYSA-N	300.302	0.684	70	10	DCIE	
Cn1c(C[C@@H]2CN3CCC2CC3)nnc1S(=O)(=O)Cl	2094948926	HDARNOVNVWSRPH-SECBINFHSA-N	304.803	0.627	70	10	DCIE	
O=C(C[C@@H]1CCCC1(F)F)NC1CN(S(=O)(=O)F)C1	2268806826	YTJXHMBNQAIMHK-ZETCQYMHSA-N	300.302	0.827	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cc(O)cc(Cl)c1	2268805509	YKASUPYZSINYLU-UHFFFAOYSA-N	308.718	0.674	70	10	DCIE	
O=c1ccccn1C[C@@H](O)CNS(=O)(=O)Cc1ccccc1	218465779	UCFWZJSRXMSOBB-AWEZNQCLSA-N	322.386	0.329	70	10	DCIE	
CCOc1ccc(OCNC(=O)NCCN2CCNCC2)cc1	217307444	USANIHYFXNIGMA-UHFFFAOYSA-N	322.409	0.626	70	10	DCIE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)c1cc(S(=O)(=O)Cl)c[nH]1	250754325	PYPDNFVWSYPSEJ-GTNGPMTGSA-N	304.755	0.992	70	10	DCIE	
O=C(NC[C@@]12COC[C@H]1C2)c1cc(S(=O)(=O)Cl)c[nH]1	689331638	WBEUIOVACUUKHC-HQJQHLMTSA-N	304.755	0.709	70	10	DCIE	
C[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	699720494	BHIXFHOPPBUETO-KWQFWETISA-N	323.367	0.658	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2COC[C@@H]2C)c1S(=O)(=O)Cl	699809696	HVMPSMPPMVCUGW-CAHLUQPWSA-N	307.759	0.410	70	10	DCIE	
C[C@H](COCCOCCS(=O)(=O)Cl)N1CCOCC1	2130302951	KZKSLOHPEBOUDG-LLVKDONJSA-N	315.819	0.309	70	10	DCIE	
NN[C@@H](Cc1ccc(Br)cn1)[C@H]1COCCO1	161122583	OVDHBFDFFSWDFO-WDEREUQCSA-N	302.172	0.634	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)C(=O)N[C@H](C)CC	160357517	ZEVUDQNHSJKPEQ-BDAKNGLRSA-N	324.381	0.903	70	10	DCIE	
C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2)CCS1(=O)=O	160741215	QFZRVDKOOXFFOC-SNVBAGLBSA-N	303.405	0.713	70	10	DCIE	
COCc1nnc(S(=O)(=O)CCS(=O)(=O)Cl)s1	2025024559	USNPXGWYFRWWQS-UHFFFAOYSA-N	320.801	0.027	70	10	DCIE	
O=C(N[C@H]1COc2ccc(S(=O)(=O)Cl)cc21)C1COC1	2176500048	YYPMAPGAFXEGMP-JTQLQIEISA-N	317.750	0.810	70	10	DCIE	
O=C1C[C@@H](COc2ccc([N+](=O)[O-])cc2S(=O)(=O)F)N1	2191432694	YITFYEZHQZXCLS-LURJTMIESA-N	304.255	0.520	70	10	DCIE	
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NCCNC(N)=O	160865565	YDKHLYSCQRLFPS-QWRGUYRKSA-N	300.403	0.938	70	10	DCIE	
O=S(=O)(Cl)CCOCCO[C@H]1C[C@H](n2cncn2)C1	2127414344	BIJFUMADDPAVTN-MGCOHNPYSA-N	309.775	0.583	70	10	DCIE	
CSC[C@@](C)(O)CNC(=O)CCNC(=O)c1ccoc1	217620893	UIFSWEBFVOYKGL-ZDUSSCGKSA-N	300.380	0.630	70	10	DCIE	
C[C@H](CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCCO	1700770600	OEWXQAOZDZTZAK-SECBINFHSA-N	321.374	0.105	70	10	DCIE	
O=C(NC[C@H](O)c1ccccc1F)N[C@H]1CCc2ncnn2C1	161330425	IVYOTMXSCCHUHN-GWCFXTLKSA-N	319.340	0.765	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1c1cc(N)nc(SC)n1	160560000	DPAJJWSKELMFNA-SECBINFHSA-N	311.411	0.512	70	10	DCIE	
C[C@@H](O)c1cccc(S(=O)(=O)NCCNC(=O)C2CC2)c1	160914878	RAIUXWBDMBQQKP-SNVBAGLBSA-N	312.391	0.544	70	10	DCIE	
COC(=O)[C@@H](c1cccnc1)N1CCO[C@H](Cn2cccn2)C1	159982832	SXUODJLWHNETCA-LSDHHAIUSA-N	316.361	0.893	70	10	DCIE	
CC(C)n1cccc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974059356	LIFIJGMANPCRTK-UHFFFAOYSA-N	303.359	0.945	70	10	DCIE	
O=S1(=O)CCN[C@@H](Cc2nc([C@@H]3CCCS3)no2)C1	160600094	KLUDLLIWHQXIKO-IUCAKERBSA-N	303.409	0.567	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@]23COC[C@H]2C3)c1S(=O)(=O)Cl	718099662	PBWLCSMBARKOOV-KBUNVGBDSA-N	319.770	0.418	70	10	DCIE	
COCCn1c(S(=O)(=O)Cl)nnc1[C@]12C[C@H](CCO1)C2	2196626568	KGWRWURWKUZAMB-DKTWLAJQSA-N	321.786	0.878	70	10	DCIE	
C[C@H]1C[C@@H]1CS(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	2108443357	HIHUMWNSASYTOS-NKWVEPMBSA-N	311.360	0.476	70	10	DCIE	
O=c1ccccn1C[C@@H](O)CNS(=O)(=O)c1ccccc1	218461947	BYMWFYSUMCHEJS-LBPRGKRZSA-N	308.359	0.188	70	10	DCIE	
O=S(=O)(Cl)C[C@@H]1CCOC2(CCS(=O)(=O)CC2)C1	958678301	NZKCWQILMSGOPC-SECBINFHSA-N	316.828	0.929	70	10	DCIE	
O=C(Cn1ncnn1)Nc1ccc(F)c(CS(=O)(=O)F)c1	1132439131	UBGGUBFKRJCWIG-UHFFFAOYSA-N	317.277	0.250	70	10	DCIE	
Cc1[nH]nc(C(=O)N2CCO[C@@H]3C[C@@H]32)c1S(=O)(=O)Cl	2115272655	XZFMTNJZZZTFMA-NKWVEPMBSA-N	305.743	0.259	70	10	DCIE	
COc1nc(N(C)[C@@H](C)C[S@@](C)=O)ncc1[B-](F)(F)F	2116129575	WVLAXDBZCPDQOF-SVWIBVJCSA-N	310.130	0.743	70	10	DCIE	
COC(=O)[C@@H](CCF)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1263791583	ZHORUBQZXLKNGA-SSDOTTSWSA-N	310.278	0.304	70	10	DCIE	
COCCNC(=O)[C@@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1	115785339	RJPDAJRSPARQCX-NSHDSACASA-N	319.766	0.680	70	10	DCIE	
O=S(=O)(OCC(F)(F)SC[C@@H](O)CO)C(F)(F)F	1923805215	DFIHWSMCDSCLSC-BYPYZUCNSA-N	320.257	0.532	70	10	DCIE	
CCOCCN1CCN(C(=O)C(=O)Nc2nocc2C)C[C@@H]1C	161238042	NIMYNCKCMLCHEC-LBPRGKRZSA-N	324.381	0.491	70	10	DCIE	
C[C@H]1OCC[C@@H]1N(C)C(=O)c1ccc(S(N)(=O)=O)cc1F	160509176	KLGDKEAAKNRJGH-PELKAZGASA-N	316.354	0.723	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1Cc1ccccc1C(N)=S	159815682	YQTRRRLPLWXWOX-CYBMUJFWSA-N	307.419	0.658	70	10	DCIE	
C#CCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1964000088	ZXRRXZBPDUJTMX-UHFFFAOYSA-N	305.352	0.989	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cc(O)ccc1Cl	1974059894	PGLQRUROROYWFR-UHFFFAOYSA-N	322.745	0.922	70	10	DCIE	
Cc1ccc(O)c(C(=O)NCC2CN(S(=O)(=O)F)C2)c1	1974060541	VBASRMNOZIHBIZ-UHFFFAOYSA-N	302.327	0.577	70	10	DCIE	
C[C@@H](C(=O)NC1CCN(S(=O)(=O)F)CC1)[C@@H]1CCCO1	1974394966	SCYRDQYJVBXNTB-KOLCDFICSA-N	308.375	0.596	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NC[C@@H]2COCCO2)c1F	159476979	UOYBBBPJXXAMPS-SNVBAGLBSA-N	304.343	0.410	70	10	DCIE	
Cc1nn(C)c(C)c1S(=O)(=O)NCC1(CN)CCCC1	160450127	QFURQLZQGIFFJI-UHFFFAOYSA-N	300.428	0.834	70	10	DCIE	
C[C@H]1C[C@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C[C@@H](C)O1	2164439174	UIACCSRMEMRXIT-DOFRTFSJSA-N	308.375	0.452	70	10	DCIE	
COc1nn(C)cc1C(=O)N1CCC(S(=O)(=O)F)CC1	2167910715	XMDLBEUYZCHDTD-UHFFFAOYSA-N	305.331	0.333	70	10	DCIE	
CN(C[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21)c1ccc([B-](F)(F)F)cn1	2174649257	QHQGMOKSLKMSJR-JGPRNRPPSA-N	319.137	0.863	70	10	DCIE	
CC(F)(F)c1nnc(S(=O)(=O)CCS(=O)(=O)Cl)o1	2061124891	QGKAMTWIMOIZJW-UHFFFAOYSA-N	324.714	0.524	70	10	DCIE	
N#CC1(CS(=O)(=O)N2CC(CS(=O)(=O)F)C2)CCCC1	2199695972	VRKMRFFGWDRDMO-UHFFFAOYSA-N	324.399	0.631	70	10	DCIE	
COC1(CNC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)CC1	2110291789	JKQHIJJDGOTYCI-UHFFFAOYSA-N	307.759	0.554	70	10	DCIE	
CN(C)S(=O)(=O)[C@@H]1CCN(c2ccc([B-](F)(F)F)cn2)C1	2279305315	KPCVQQSBFQUECL-SNVBAGLBSA-N	322.141	0.606	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)Cc2nnnn2C)n1	2280498122	AWCDTRVZFPBTRL-UHFFFAOYSA-N	301.061	0.305	70	10	DCIE	
CS(=O)(=O)[C@H]1C[C@H](COc2ncncc2[B-](F)(F)F)C1	2352795964	IBRSIOBKPUVLKQ-ZKCHVHJHSA-N	309.098	0.733	70	10	DCIE	
Cc1cc(F)ccc1S(=O)(=O)NCCS(=O)(=O)Cl	124145174	HMXFRYVBVIRHHL-UHFFFAOYSA-N	315.775	0.981	70	10	DCIE	
C[C@]1(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)CC1(F)F	689314717	OWWGWVBWEGLRAY-MRVPVSSYSA-N	314.697	0.922	70	10	DCIE	
CN(c1ncncc1[B-](F)(F)F)[C@H]1CS(=O)(=O)C1(C)C	2116144714	KGVKYBYBLHTPLD-QMMMGPOBSA-N	308.114	0.543	70	10	DCIE	
CCS(=O)(=O)CCN(C)c1nc(C)ncc1[B-](F)(F)F	2116125456	AJKRGDULBRRDHK-UHFFFAOYSA-N	310.130	0.710	70	10	DCIE	
O=S1(=O)C[C@H]2CN(c3ncccc3[B-](F)(F)F)C[C@@H]2C1	2116142772	RAYLWALQVTVFDX-RKDXNWHRSA-N	305.110	0.617	70	10	DCIE	
C[C@H](O)CN(C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1498384935	BMPYAFCGEFEGSX-IUCAKERBSA-N	321.374	0.104	70	10	DCIE	
CC(C)COCCC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O	160235324	ZEHIQTVWLMRUQX-CHWSQXEVSA-N	320.455	0.883	70	10	DCIE	
CCNc1cc(S(=O)(=O)NCCNC(=O)C2CC2)ccn1	160961450	KCHOCRZJXKOXNJ-UHFFFAOYSA-N	312.395	0.318	70	10	DCIE	
CNc1ccc(S(=O)(=O)NC[C@@]2(OC)CCOC2)cn1	161204047	CVGBLFMWPINYFK-LBPRGKRZSA-N	301.368	0.207	70	10	DCIE	
Cc1[nH]nc(C(=O)OCCOC2CC2)c1S(=O)(=O)Cl	712047835	FKWUFINBVWUXNK-UHFFFAOYSA-N	308.743	0.981	70	10	DCIE	
Cc1nccn1[C@@H](C)C(=O)N1CCN(S(=O)(=O)F)CC1	2186050659	LMVMXVGLWITDCO-VIFPVBQESA-N	304.347	0.111	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1	2088472758	UAXQOFYYYSKFOF-SNVBAGLBSA-N	314.404	0.481	70	10	DCIE	
Cc1nscc1CC(=O)NC1CCN(S(=O)(=O)F)CC1	2280165900	FTDSWNYSUXXERM-UHFFFAOYSA-N	321.399	0.789	70	10	DCIE	
C[C@]1(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C[C@H]1C(F)(F)F	2287073845	YULVODJCSFOIFS-BHNWBGBOSA-N	318.292	0.980	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2CCCOC2)c1S(=O)(=O)Cl	115020797	ICVREJBQLCFDBD-ZETCQYMHSA-N	307.759	0.554	70	10	DCIE	
CS(=O)(=O)N[C@@H]1COc2ccc(S(=O)(=O)Cl)cc21	112161752	XSSDOZIPWMASSE-MRVPVSSYSA-N	311.768	0.597	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2COCC2(C)C)[nH]1	2361337674	AKCXQFCSDOQIKC-ZETCQYMHSA-N	305.331	0.111	70	10	DCIE	
O=C(Cn1cnnn1)Nc1ccc(F)c(CS(=O)(=O)F)c1	1132436671	UEXFSHKEFQANMA-UHFFFAOYSA-N	317.277	0.250	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CCCC(F)F	688709828	JSYLJADVRKMDAW-UHFFFAOYSA-N	302.686	0.922	70	10	DCIE	
CCC(=O)NC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1701163519	NOBCZNOSPRGFGE-QMMMGPOBSA-N	319.358	0.660	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@H]3CCC[C@@H]32)[nH]1	1923166744	DGLWGRZSXBBTST-HRDYMLBCSA-N	301.343	0.875	70	10	DCIE	
C[C@@H]1C(S(=O)(=O)Nc2nn(C)cc2S(=O)(=O)F)[C@H]1C	1923157327	VPXHPFCQRQOYIX-WDSKDSINSA-N	311.360	0.474	70	10	DCIE	
COC[C@H](C)N[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1774037800	FSTIHKSKSBOCJR-BDAKNGLRSA-N	321.374	0.416	70	10	DCIE	
CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H](O)C1)CC2	161367454	UQJFZLULLANUSS-VXGBXAGGSA-N	307.398	0.883	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1nc(Cl)nc2[nH]ncc12	160257039	HHLXPQBKKAMARB-QMMMGPOBSA-N	310.745	0.348	70	10	DCIE	
CC(=O)N(C)c1cccc(NC(=O)CN2CCNCC2=O)c1	160334984	GEUUUCBYMSAAPT-UHFFFAOYSA-N	304.350	0.040	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)CC	160357265	ZEVUDQNHSJKPEQ-IUCAKERBSA-N	324.381	0.903	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccc3c(c2)CCN3)CCOC1	160678773	XNDZWYRCOMZCNC-AWEZNQCLSA-N	312.391	0.738	70	10	DCIE	
O=C(c1cnc2sccn2c1=O)N1C[C@@H]2CCC[C@H](C1)N2	160692002	NDYZHWPSVCFZKW-AOOOYVTPSA-N	304.375	0.723	70	10	DCIE	
C#Cc1cc(CN2CCNCC2)cc(OS(=O)(=O)F)c1C	1887510169	FZQFTHLNGBNMGJ-UHFFFAOYSA-N	312.366	0.975	70	10	DCIE	
Cc1nn(C)c(C)c1CCC(=O)N1CC(S(=O)(=O)F)C1	1968215408	FRNOTMXQRUIGHU-UHFFFAOYSA-N	303.359	0.480	70	10	DCIE	
C[C@@]1(C(=O)NCC2CN(S(=O)(=O)F)C2)C[C@@H]1C(F)(F)F	1974054808	IYZGGJXCBOUTLC-IONNQARKSA-N	318.292	0.837	70	10	DCIE	
CC1(OCC(=O)N2CCN(S(=O)(=O)F)CC2)CCCC1	1974015605	VUEJCOOODVEFHV-UHFFFAOYSA-N	308.375	0.694	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1C(=O)[C@](C)(CC)C(N)=S	159772938	FVCKWXOZTOQLDM-TVQRCGJNSA-N	301.412	0.052	70	10	DCIE	
C[C@@H](CCCN1CC(N2CCN(C)CC2)C1)S(=O)(=O)Cl	2155496604	AVAYPSFHJZSNPE-LBPRGKRZSA-N	323.890	0.655	70	10	DCIE	
CC(C)(C)NS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2028132037	XYOKQGROKZHGDE-MRVPVSSYSA-N	302.393	0.383	70	10	DCIE	
CCc1[nH]nc(C(=O)NC2[C@@H]3COC[C@@H]23)c1S(=O)(=O)Cl	2174646606	DGSIVMUTHAIDDY-PHDIDXHHSA-N	319.770	0.274	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccc(O)cc1O	2287075064	KZPOEFKXPSAMTK-SSDOTTSWSA-N	304.299	0.116	70	10	DCIE	
O=C(N[C@H]1CCN(C2CC2)C1)c1cc(S(=O)(=O)Cl)c[nH]1	115782458	WIDYWBIUTDZNAC-QMMMGPOBSA-N	317.798	0.909	70	10	DCIE	
O=S(=O)(Cl)c1cc(F)cc(F)c1OCc1nnn[nH]1	312120223	UPWNPSANOASWFP-UHFFFAOYSA-N	310.669	0.984	70	10	DCIE	
C[C@@H]1CS(=O)(=O)CCN1c1ncc(F)cc1[B-](F)(F)F	2132072757	ADEWCRSYDOJHHU-SSDOTTSWSA-N	311.089	0.898	70	10	DCIE	
COCCn1ncc(N2CCO[C@@H]([C@@H](C)N)C2)c(Cl)c1=O	159948832	MCXLZFYGFGICRL-MWLCHTKSSA-N	316.789	0.096	70	10	DCIE	
CC(C)n1nccc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974000730	FSKQTDUIUNAAGA-UHFFFAOYSA-N	304.347	0.436	70	10	DCIE	
C[C@@H]1CC[C@H](CC(=O)Nc2nn(C)cc2S(=O)(=O)F)O1	2161089590	PRWYIRQLRIOXTL-HTQZYQBOSA-N	305.331	0.974	70	10	DCIE	
C[C@H](C(=O)NC(N)=O)n1cc(S(=O)(=O)Cl)nc1C1CC1	704292416	GTKQHRBXJMRKJX-RXMQYKEDSA-N	320.758	0.444	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1CC[C@H](NS(C)(=O)=O)C1	2172776227	MUWADCWQADXVAP-JTQLQIEISA-N	322.141	0.572	70	10	DCIE	
CC12CC(C(=O)NC3CCN(S(=O)(=O)F)CC3)(CO1)C2	2169024181	CVJCJGBVAPZEJR-UHFFFAOYSA-N	306.359	0.350	70	10	DCIE	
CCNC(=O)CCn1cc(S(=O)(=O)Cl)nc1COCC	2182342974	FEIVYUVSTVGVMB-UHFFFAOYSA-N	323.802	0.873	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)[C@H]2COC[C@H]2OC)n1	2280490590	KPWSXGDTHONJOO-VHSXEESVSA-N	305.085	0.995	70	10	DCIE	
C[C@H]1C(=O)Nc2ccc(S(=O)(=O)NC3[C@@H]4CNC[C@@H]34)cc21	217801053	YQBPYGUAFIPAAJ-AVPPRXQKSA-N	307.375	0.238	70	10	DCIE	
COc1nn(C)cc1C(=O)N(CCN(C)C)C1CCOCC1	217284519	HJLWVNGAKVSNSZ-UHFFFAOYSA-N	310.398	0.612	70	10	DCIE	
COCCCNC(=O)[C@@H](C)n1cnc(S(=O)(=O)Cl)c1	215831293	QWFNLMOJWVJSEZ-MRVPVSSYSA-N	309.775	0.524	70	10	DCIE	
O=S(=O)(F)c1ccc(NS(=O)(=O)N2CCCCC2)cn1	2166518436	FBAKXJLTXGNQDH-UHFFFAOYSA-N	323.371	0.882	70	10	DCIE	
COCC1(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)CC1	1882295867	BNQMSFOZOQVNNG-UHFFFAOYSA-N	308.743	0.303	70	10	DCIE	
O=C(N1CC[C@H](S(=O)(=O)F)C1)C(F)(F)[C@@H]1CCOC1	2128779927	BXLMLKLIGPSMCW-SFYZADRCSA-N	301.286	0.558	70	10	DCIE	
C[C@H]1CS(=O)(=O)CCN1c1ncc(F)cc1[B-](F)(F)F	2132072758	ADEWCRSYDOJHHU-ZETCQYMHSA-N	311.089	0.898	70	10	DCIE	
COC(=O)CCN(C)S(=O)(=O)Nc1cccc(N(C)C)c1	161123506	RZXRXLHDPUXZDL-UHFFFAOYSA-N	315.395	0.904	70	10	DCIE	
COC[C@H](N)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1	159445672	NOQUSTBOIDNBBD-LBPRGKRZSA-N	313.379	0.040	70	10	DCIE	
COc1nc(N2C[C@@H]3OCCO[C@@H]3C2)ncc1[B-](F)(F)F	2172758829	VWAJEBWOQQOFQQ-DTORHVGOSA-N	304.057	0.144	70	10	DCIE	
COCCn1nnnc1Sc1ncnc(C)c1[B-](F)(F)F	2172717886	RCWSOPYQHBLLFK-UHFFFAOYSA-N	319.101	0.624	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)c1S(=O)(=O)Cl	384652631	CFUAAQAYVQKGED-MHSYXAOVSA-N	321.786	0.941	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)Cc2ccncc2)C1	2170912568	TYSZKGJHHDNHEH-LLVKDONJSA-N	322.383	0.675	70	10	DCIE	
COC(=O)[C@H]1C[C@@H](S(=O)(=O)F)CN1C(=O)OC(C)(C)C	2081005378	NMZUVQOIUHMLEK-HTQZYQBOSA-N	311.331	0.837	70	10	DCIE	
NC(=O)c1cccc(C(=O)N2CC(CS(=O)(=O)F)C2)c1	2199687544	APAMOCNNAQDEIE-UHFFFAOYSA-N	300.311	0.157	70	10	DCIE	
CC12CC(CS(=O)(=O)Cl)(C1)[C@H](CCS(C)(=O)=O)O2	2043850123	NBWVSYCGFFMIPO-IDKOKCKLSA-N	316.828	0.927	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1COC[C@@H]1F	2191489048	NBTAZRIFVHWOFA-DTWKUNHWSA-N	324.761	0.902	70	10	DCIE	
Cc1cc(O)ccc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287074502	GIYJUQKDPSTRJR-SECBINFHSA-N	302.327	0.719	70	10	DCIE	
CN1CCC(CC(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CC1	2287064349	AFFAHTLJRVRHJB-LLVKDONJSA-N	307.391	0.123	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1CCOC[C@@H](F)C1	2336664503	BBCYJSXETDNHCL-ZETCQYMHSA-N	310.734	0.753	70	10	DCIE	
O=C(CN1CCOCC1)Nc1ccc(S(=O)(=O)F)nc1	2166522385	RVDQWMBHEWVXQO-UHFFFAOYSA-N	303.315	0.011	70	10	DCIE	
CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCN(C)C1	1123915695	DSINXWJQFIYBHU-SECBINFHSA-N	303.359	0.839	70	10	DCIE	
CCCCNC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1568579517	COEJSRFVGJCQKA-SECBINFHSA-N	321.374	0.153	70	10	DCIE	
C[C@@H]1C[C@H]1CNS(=O)(=O)c1cnn(CCCNC2CC2)c1	160851271	WGDSRFICQVOOIO-NEPJUHHUSA-N	312.439	0.960	70	10	DCIE	
Nc1ccncc1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	160896120	DEULGIZFMAAMMX-RISCZKNCSA-N	311.407	0.980	70	10	DCIE	
CCCN(c1cnn(CC(=O)OC)c(=O)c1Cl)C1CNC1	159689299	TZLBFSFSOGDLDL-UHFFFAOYSA-N	314.773	0.258	70	10	DCIE	
C[C@H]1CN(c2cnn(CCN(C)C)c(=O)c2Cl)[C@@H](C)CN1	159568235	WAXJMCCISULXTN-QWRGUYRKSA-N	313.833	0.645	70	10	DCIE	
O=C([C@H]1CCC(F)(F)C1)N1CCN(S(=O)(=O)F)CC1	1974014507	JSVXQYMUMKNTRN-QMMMGPOBSA-N	300.302	0.780	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N2CCS(=O)(=O)CC2)c1F	159471987	KTQCCIUEDAIKRL-UHFFFAOYSA-N	322.383	0.135	70	10	DCIE	
C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)C(=O)NCC(F)(F)F	159782227	SJXYUZHVAUUQHL-SFYZADRCSA-N	302.318	0.078	70	10	DCIE	
CSCC[C@H](C)N(C)C(=O)C[C@H]1CS(=O)(=O)CCN1	161249636	MAXKYGOXGKXNKV-QWRGUYRKSA-N	308.469	0.363	70	10	DCIE	
Cc1[nH]nc(C(=O)NCC2[C@@H]3COC[C@@H]23)c1S(=O)(=O)Cl	385936840	LACXQRDXDAOMIA-YUMQZZPRSA-N	319.770	0.268	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)C2CC(S(C)(=O)=O)C2)n1	2172769022	RFEXCWPKBOQLNS-UHFFFAOYSA-N	322.141	0.851	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@@H]1OC[C@H]2CCO[C@@H]12	2089696388	OYIUSRKHTFVADF-WCABBAIRSA-N	306.771	0.923	70	10	DCIE	
O=C([C@@H]1OC[C@@H]2CCCC[C@@H]21)N1CC(CS(=O)(=O)F)C1	2233186279	NNIGORPJFOOWLW-SDDRHHMPSA-N	305.371	0.949	70	10	DCIE	
C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)NC3[C@@H]4CNC[C@@H]34)cc21	217800956	YQBPYGUAFIPAAJ-WHGOUJPWSA-N	307.375	0.238	70	10	DCIE	
Cc1ccnc(C(=O)NCC2CN(S(=O)(=O)F)C2)c1C	2164430667	JLJRKUCNKZELDY-UHFFFAOYSA-N	301.343	0.574	70	10	DCIE	
CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cl	1953309653	JHIJVMVOZHEUEC-UHFFFAOYSA-N	300.764	0.953	70	10	DCIE	
CCc1[nH]nc(C(=O)NC2(COC)CC2)c1S(=O)(=O)Cl	697503139	NKSURKNZFJPJES-UHFFFAOYSA-N	321.786	0.808	70	10	DCIE	
CCS(=O)(=O)CC(=O)Nc1ccccc1S(=O)(=O)F	2132915864	OARNPUUFCQYVNU-UHFFFAOYSA-N	309.340	0.718	70	10	DCIE	
CC1(CS(C)(=O)=O)CN(CCCS(=O)(=O)Cl)C1	2005274118	GTMGLPMKLGEVJL-UHFFFAOYSA-N	303.833	0.312	70	10	DCIE	
CCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1571747267	QKPGHZUAWLNONC-JGVFFNPUSA-N	319.358	0.706	70	10	DCIE	
Cc1nn(C)c(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1C(N)=S	160298596	PJEQABKRZOSUPT-ZJUUUORDSA-N	307.423	0.468	70	10	DCIE	
O=C(NC[C@@H](O)c1ccc(F)cc1)N[C@@H]1CCc2ncnn2C1	160939412	LWCYMYOCBOZQKZ-CHWSQXEVSA-N	319.340	0.765	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cc(N)c(F)cc2C)CCOC1	159912665	UXXOHVDYKRWBHL-CYBMUJFWSA-N	318.370	0.800	70	10	DCIE	
C[C@@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(N)=O	159952262	CKCNIAPXLUJRCY-NXEZZACHSA-N	302.338	0.501	70	10	DCIE	
O=C(Cc1ccccn1)NC1CCN(S(=O)(=O)F)CC1	2169008960	HJAPUWZOIMATRK-UHFFFAOYSA-N	301.343	0.419	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@@H]2C[C@H]2OC)c1S(=O)(=O)Cl	2188223415	LQBGUNFKXJMKDZ-POYBYMJQSA-N	321.786	0.664	70	10	DCIE	
COC[C@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C1	2181791866	SIRNZIIHNGRYDP-QWRGUYRKSA-N	308.375	0.408	70	10	DCIE	
COCCn1c(-c2nnccc2C)nnc1S(=O)(=O)Cl	2192718957	BOEHFHUEQJWWEJ-UHFFFAOYSA-N	317.758	0.617	70	10	DCIE	
O=S1(=O)CC[C@H]2CN(c3nc([B-](F)(F)F)cs3)C[C@H]21	2052596870	FDTWIIHMXPWRAC-NKWVEPMBSA-N	311.139	0.821	70	10	DCIE	
CC12CC(Cn3cc(S(=O)(=O)Cl)c(O)nc3=O)(CO1)C2	2202720914	AEZKODFBHLOHNL-UHFFFAOYSA-N	320.754	0.446	70	10	DCIE	
COC1(C(F)(F)C(=O)NC2CN(S(=O)(=O)F)C2)CCC1	2284150987	NKVWWZAIDHUFEZ-UHFFFAOYSA-N	316.301	0.206	70	10	DCIE	
C[C@H]1C[C@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C[C@@H](C)O1	2287076979	USDGLFDFUFOFNN-LMLFDSFASA-N	308.375	0.595	70	10	DCIE	
Nc1cccc(F)c1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287064471	BZIPEWMJAALTQR-SSDOTTSWSA-N	305.306	0.426	70	10	DCIE	
Cc1nc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)no1	215921076	CXMMTIXYPDULJY-UHFFFAOYSA-N	307.675	0.459	70	10	DCIE	
O=C1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)F)nc2)N1	2166523096	BSYSMGVSRIVEKC-MRVPVSSYSA-N	301.299	0.347	70	10	DCIE	
Cc1cnc(N2CCS(=O)(=O)CCO2)c([B-](F)(F)F)c1	2116158479	UBNYFJXAVNKRON-UHFFFAOYSA-N	309.098	0.611	70	10	DCIE	
CC(C)(CNCc1nnc2n1CCCC2)NS(C)(=O)=O	217319227	HBEWXNHUAPQJMX-UHFFFAOYSA-N	301.416	0.032	70	10	DCIE	
Cc1nonc1CNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1583720296	ONQMSDNIGAPQEM-UHFFFAOYSA-N	313.310	0.895	70	10	DCIE	
CC(C)(C)OC(=O)NCC[C@H]1CC(=O)N1S(=O)(=O)Cl	1931193304	DBSWBAVREIVUGX-ZETCQYMHSA-N	312.775	0.986	70	10	DCIE	
COC[C@H](O)CCNC(=O)Cn1cc(-c2ccccc2)nn1	161253576	DGPVNPAPCAYOHN-CYBMUJFWSA-N	304.350	0.459	70	10	DCIE	
C[C@@H](O)CCNC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1	160041195	LMVMYZWZZSHRFH-SECBINFHSA-N	320.349	0.719	70	10	DCIE	
CN(C)c1nc(Cl)nc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)n1	160519833	HYJQMAKWLRDKQC-RKDXNWHRSA-N	310.789	0.696	70	10	DCIE	
CNS(=O)(=O)c1cccc(C(=O)Nc2c[nH]c(=O)c(C)c2)c1	159403996	DBBMZBIISCJYCD-UHFFFAOYSA-N	321.358	0.844	70	10	DCIE	
Cc1cc(C)n(CC(=O)NC2CCC(C(=O)NC(N)=O)CC2)n1	159545442	XVDGKVQVTICOLS-UHFFFAOYSA-N	321.381	0.370	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1nccc(C)c1C(N)=S	159790861	YJOOWFRFEDGXLR-JTQLQIEISA-N	308.407	0.366	70	10	DCIE	
COC1CN(S(=O)(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)C1	1879791012	APPCLVPMYKMYDR-WCBMZHEXSA-N	313.130	0.875	70	10	DCIE	
CO[C@H]1C[C@@H](C(=O)N2CC[C@H](S(=O)(=O)F)C2)C[C@H]1OC	1973295768	ALFNRVXFDMXQIF-MMWGEVLESA-N	309.359	0.327	70	10	DCIE	
CN([C@H]1CCOC1)S(=O)(=O)c1ccccc1C(N)=S	159445383	DTPLNYAVHSSTIP-VIFPVBQESA-N	300.405	0.730	70	10	DCIE	
CCN(c1cnn(CCO)c(=O)c1Cl)[C@@H]1CCCNC1	159431552	UJPMRWKPLNAIHK-SNVBAGLBSA-N	300.790	0.467	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2CO[C@@H](C)C2)c1S(=O)(=O)Cl	2158033727	SCBXKDIYQMSDDM-XPUUQOCRSA-N	321.786	0.800	70	10	DCIE	
O=C(O)c1cc(S(=O)(=O)Cl)ccc1OCc1nn[nH]n1	380586924	WWKRCYLTSVVSDP-UHFFFAOYSA-N	318.698	0.404	70	10	DCIE	
CS(=O)(=O)N[C@@H]1CCCN(c2ncc([B-](F)(F)F)cn2)C1	2172773829	HBNYDEBJDSSUQS-SECBINFHSA-N	323.129	0.049	70	10	DCIE	
O=C([C@@H]1COCCC1(F)F)N1CC(CCS(=O)(=O)F)C1	2199689529	RQCMAWHQSRBBSG-VIFPVBQESA-N	315.313	0.806	70	10	DCIE	
O=C(CCOCC(F)(F)F)N1CC[C@H](S(=O)(=O)F)C1	2088472772	UDPZXAPRRUESIP-ZETCQYMHSA-N	307.265	0.856	70	10	DCIE	
O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cc(S(=O)(=O)Cl)c[nH]1	2328813364	KVQPMBRBZTWCRY-WEDXCCLWSA-N	304.755	0.849	70	10	DCIE	
C[C@@H]1CCCN(S(=O)(=O)NCCS(=O)(=O)Cl)C1	124142197	SMZGEEYQXHIILB-MRVPVSSYSA-N	304.821	0.121	70	10	DCIE	
O=C(NC[C@H](O)Cn1ccccc1=O)[C@@H](O)c1ccccc1	218438282	SVZHVDWWTBEIOO-ZFWWWQNUSA-N	302.330	0.059	70	10	DCIE	
CC(C)Cn1c([C@@H]2COCCO2)nnc1S(=O)(=O)Cl	133437422	DRTWFJRVDHKNIJ-QMMMGPOBSA-N	309.775	0.950	70	10	DCIE	
CNC(=O)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Cl)cc1	216019359	XYWWFLPWPYWXEL-SSDOTTSWSA-N	320.754	0.837	70	10	DCIE	
CCCCNC(=O)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1626786713	SNECVBATEIMLJC-UHFFFAOYSA-N	306.319	0.417	70	10	DCIE	
CC(=O)N[C@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1725885652	CDUYZPCXJUSUIT-RNFRBKRXSA-N	305.331	0.316	70	10	DCIE	
C[C@@H]1OCC[C@@H]1N(C)C(=O)c1cc(F)cc(S(N)(=O)=O)c1	160505833	ICGISHVADVAMNZ-UFBFGSQYSA-N	316.354	0.723	70	10	DCIE	
COc1ccc(C#N)c(S(=O)(=O)CCS(=O)(=O)Cl)c1	155641361	PROWZAAXUDXBDL-UHFFFAOYSA-N	323.779	0.909	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C[C@H]2C[C@H]2CO1	1974395009	SQZIYCCOELTSSK-YWVKMMECSA-N	306.359	0.206	70	10	DCIE	
Cc1ccc(C(=O)NC2CCN(S(=O)(=O)F)CC2)nc1	1974395061	UQFXSSNGGGTKMN-UHFFFAOYSA-N	301.343	0.799	70	10	DCIE	
Cc1noc(Cn2nc([N+](=O)[O-])c(S(=O)(=O)Cl)c2C)n1	312461147	SOTMCMKCKSRJPM-UHFFFAOYSA-N	321.702	0.767	70	10	DCIE	
CN1CC[C@H]2OCCN(c3ncncc3[B-](F)(F)F)[C@@H]2C1	2185498297	WPETVTYFUHFBJW-GHMZBOCLSA-N	301.101	0.440	70	10	DCIE	
C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)Oc1ccc(O)cc1	217277842	HLUJVNIWQHBUNJ-UWVGGRQHSA-N	314.363	0.603	70	10	DCIE	
C=CCNC(=O)Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215926992	SYYBRAPONFRZPH-UHFFFAOYSA-N	308.703	0.021	70	10	DCIE	
Cc1ccc(S(=O)(=O)NC[C@H](O)Cn2ccccc2=O)cc1	218462138	RVAXLYGYKHVZCR-ZDUSSCGKSA-N	322.386	0.496	70	10	DCIE	
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)F)CC2)cc1	2163654005	ZKGMKBDCWCKQMB-UHFFFAOYSA-N	322.383	0.516	70	10	DCIE	
CC1(C)[C@H]2CC(C(=O)NCC3CN(S(=O)(=O)F)C3)C[C@@H]21	2164432202	VCGXAWFQWSOASR-QWRGUYRKSA-N	304.387	0.931	70	10	DCIE	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](S(=O)(=O)Cl)C1	713302736	QOEYWSHUEZOFAK-RNFRBKRXSA-N	313.759	0.875	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ncnc2ncccc12	2127412609	YJYHENIQEHAZBW-UHFFFAOYSA-N	321.767	0.367	70	10	DCIE	
CCc1cc(S(=O)(=O)Cl)n([C@@H]2CCS(=O)(=O)C2)n1	203239804	KJQAFODVVIZUHR-MRVPVSSYSA-N	312.800	0.733	70	10	DCIE	
C[C@@H](O)CN[C@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1662974613	LZMNJDHYHSJSLR-RKDXNWHRSA-N	321.374	0.152	70	10	DCIE	
Cc1ccccc1[C@@H](O)CNC(=O)N[C@@H]1CCc2ncnn2C1	161300499	MIDVBILRVGYENL-OCCSQVGLSA-N	315.377	0.934	70	10	DCIE	
CCCC[C@H](NC(N)=O)C(=O)NC[C@H](O)CN1CCCCC1	160049257	WHRNFQHKZPPFRV-STQMWFEESA-N	314.430	0.177	70	10	DCIE	
NCCCNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1	160138627	CWCVQOXYIPUCER-UHFFFAOYSA-N	311.407	0.454	70	10	DCIE	
COc1ccc(NC(=O)[C@@H]2OCC[C@@H]2C)cc1S(N)(=O)=O	160251484	VCHVBUIVQDBJMV-QPUJVOFHSA-N	314.363	0.706	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CC[C@@H](CN)O2)c1	160301730	YEFGDQIQGSIGHC-UFBFGSQYSA-N	314.363	0.241	70	10	DCIE	
COCCN1CCN([C@H](C(=O)OC)c2cccnc2)C[C@@H]1C	159919794	ULNVFDURVJYRKE-ZFWWWQNUSA-N	307.394	0.948	70	10	DCIE	
Cc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1O[C@H](C)C(N)=O	2155019708	WBNOXSGGJYAZDG-ZCFIWIBFSA-N	321.738	0.873	70	10	DCIE	
C[C@]1(C2CCS(=O)(=O)CC2)CC(=O)N1S(=O)(=O)Cl	2029449812	HURBRDSLQSTGMU-SECBINFHSA-N	315.800	0.286	70	10	DCIE	
C[C@]1([C@H]2CCCS(=O)(=O)C2)CC(=O)N1S(=O)(=O)Cl	2029450257	KARCOSWCTIIRMJ-IONNQARKSA-N	315.800	0.286	70	10	DCIE	
C=CCNC(=O)[C@@H](C)n1cc(S(=O)(=O)Cl)nc1COC	2182344346	TUZCAGHCCSPPKG-MRVPVSSYSA-N	321.786	0.820	70	10	DCIE	
CC(C)N1CCN(C2CN(CCCS(=O)(=O)Cl)C2)CC1	2193426261	CXUMJDWDNNBQHM-UHFFFAOYSA-N	323.890	0.655	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CCCSCC1	2108154676	RDIREJUZCWFTLP-SNVBAGLBSA-N	310.416	0.782	70	10	DCIE	
C[C@@H](CO[C@@H]1CCN(S(C)(=O)=O)C1)CS(=O)(=O)Cl	2257818040	KURGTLZTTNWEIP-DTWKUNHWSA-N	319.832	0.242	70	10	DCIE	
CC(C)/C=C/NC(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1	218520432	HIBALOWTOFKZDN-IYNGYCSASA-N	317.455	0.916	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)N2C[C@H]3CC[C@@H](N)C[C@H]3C2)C[C@H](C)O1	218250253	GVSWNLWXEHTVDY-PDWCTOEPSA-N	317.455	0.400	70	10	DCIE	
CC1(C)CO[C@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1	708533811	RDPNKDXFMWPXJK-ZETCQYMHSA-N	322.770	0.692	70	10	DCIE	
CC(C)c1nc(S(=O)(=O)Cl)cn1Cc1nnnn1C	698617952	OOHAYASDXCMHQO-UHFFFAOYSA-N	304.763	0.506	70	10	DCIE	
CC[C@@H](Oc1ccc(C(=O)O)cc1S(=O)(=O)Cl)C(N)=O	215649433	JODBQKARKFUWMJ-SSDOTTSWSA-N	321.738	0.955	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2CCC[C@H](F)C2)[nH]1	1923174037	MSPPQSAMVJPOBE-YUMQZZPRSA-N	307.322	0.967	70	10	DCIE	
COCCn1c(CC[C@H](C)OC)nnc1S(=O)(=O)Cl	228514108	DQAVELIGQVZVGG-QMMMGPOBSA-N	311.791	0.820	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1	161121562	YFNUKRQYDRMIIM-SKDRFNHKSA-N	324.381	0.319	70	10	DCIE	
CO[C@H](C)[C@](C)(CN)N1CCn2c(nnc2C(F)(F)F)C1	161338063	CAMDRZOHNYFHSQ-KCJUWKMLSA-N	307.320	0.865	70	10	DCIE	
Cc1cc(N2CC[C@H](SCCN3CCOCC3)C2=O)n(C)n1	160000072	SWAANMIGBILTSI-ZDUSSCGKSA-N	324.450	0.899	70	10	DCIE	
O=C(NCC(F)(F)F)Nc1cccc2c(=O)[nH][nH]c(=O)c12	160332736	PFUJVTRGJXJKLU-UHFFFAOYSA-N	302.212	0.900	70	10	DCIE	
CC(C)(C)OC(=O)NCC(=O)N1CC(CS(=O)(=O)F)C1	1883851619	OYMRAAFERRUIPA-UHFFFAOYSA-N	310.347	0.269	70	10	DCIE	
C[C@@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)F)CC2)CCS1	1974014853	NIMMEBODCJXOLA-ZJUUUORDSA-N	310.416	0.877	70	10	DCIE	
Cc1nn(CCCO)c(C)c1S(=O)(=O)NC[C@H]1C[C@H]1C	160758767	UKEOBHFTVXWEBZ-BXKDBHETSA-N	301.412	0.817	70	10	DCIE	
O=[N+]([O-])c1nn(C[C@@H]2COCCO2)cc1S(=O)(=O)Cl	690723608	GBVPVDYADISYFC-ZCFIWIBFSA-N	311.703	0.134	70	10	DCIE	
Cc1ncnc(N2CCO[C@H]3COCC[C@H]32)c1[B-](F)(F)F	2172764351	BIOYKADHTKILKX-ZJUUUORDSA-N	302.085	0.834	70	10	DCIE	
CC[C@H](Oc1ccc(S(=O)(=O)F)cc1C(=O)O)C(N)=O	2191434759	NPPPLMHFVKFMEX-QMMMGPOBSA-N	305.283	0.686	70	10	DCIE	
CO[C@@H](C(=O)N1CC(CCS(=O)(=O)F)C1)[C@H]1CCOC1	2199683839	GERXTFNOJJIKSC-WDEREUQCSA-N	309.359	0.186	70	10	DCIE	
CCCCN(C)S(=O)(=O)N1CC(CS(=O)(=O)F)C1	2078991740	ZDXNIHIPZZDEBP-UHFFFAOYSA-N	302.393	0.194	70	10	DCIE	
COc1nc(OC[C@]2(C)COCCO2)ncc1[B-](F)(F)F	2237883353	OOZPOGLVTZEYHD-NSHDSACASA-N	307.057	0.724	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1COC2(CCC2)C1	2287072752	ZNBHWUKLOUCNFE-VHSXEESVSA-N	306.359	0.350	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@@H]2CC[C@H](C1)O2	2287066504	BUKUPFARRQQQFO-DBIOUOCHSA-N	306.359	0.349	70	10	DCIE	
CCCc1n[nH]c(C(=O)OC2COC2)c1S(=O)(=O)Cl	123198420	SQHHERSRKJQBOX-UHFFFAOYSA-N	308.743	0.845	70	10	DCIE	
CCOC(=O)NCCNC(=O)NCCNC(=O)OC(C)(C)C	217263893	ZMYVLURWQYBRJB-UHFFFAOYSA-N	318.374	0.556	70	10	DCIE	
Cc1nc[nH]c1S(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2166521986	OVYVBRXXWUKGLW-UHFFFAOYSA-N	320.327	0.572	70	10	DCIE	
CC(C)(C)OC(=O)N1C[C@H]2OCCN(S(=O)(=O)F)[C@@H]2C1	1954656882	SJLPGFYPQVLAFA-RKDXNWHRSA-N	310.347	0.521	70	10	DCIE	
CO[C@H]1C[C@@H](c2nnc(S(=O)(=O)Cl)n2C)C[C@H]1OC	2118264134	ODNXUSQWIHJCQU-RNLVFQAGSA-N	309.775	0.650	70	10	DCIE	
CO[C@H]1C[C@H]1CNC(=O)c1cc(S(=O)(=O)Cl)cn1C	2131640149	SVPGJDLYEPVSHN-XVKPBYJWSA-N	306.771	0.717	70	10	DCIE	
Cn1cc(C(=O)C(=O)Nc2ncc(S(=O)(=O)F)s2)cn1	1287483119	MZNLEGPFLXNDGH-UHFFFAOYSA-N	318.311	0.356	70	10	DCIE	
CN1[C@H]2CC[C@H]1CC(CN)(N(C)[C@H]1CCS(=O)(=O)C1)C2	218133618	OTFNSHXFJVDVEQ-AVGNSLFASA-N	301.456	0.059	70	10	DCIE	
CC[C@H]1OCC[C@@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923176911	FGRBSXFTGKKRGT-JGVFFNPUSA-N	305.331	0.254	70	10	DCIE	
COC[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1	159426957	HTJAHNXJHJXLDT-GFCCVEGCSA-N	313.379	0.040	70	10	DCIE	
N[C@@H](C(=O)N1CCOC[C@H]1C(=O)NC1CC1)c1cccs1	159660404	LLHDLFRBTWIYSQ-CMPLNLGQSA-N	309.391	0.254	70	10	DCIE	
O=S(=O)(N1CCOCC1)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	1879776074	MOXHFGLHLYPNKI-UWVGGRQHSA-N	313.130	0.877	70	10	DCIE	
O=C([C@H]1COCCC1(F)F)N1CC[C@@H](S(=O)(=O)F)C1	1973300590	VGJBWMIMOPDPTH-HTQZYQBOSA-N	301.286	0.558	70	10	DCIE	
CN(C)C(=O)NCCNc1ccc(S(N)(=O)=O)cc1F	161065231	MBZZNDBIXMHEGJ-UHFFFAOYSA-N	304.347	0.156	70	10	DCIE	
Cc1ncnc(N(C)C[C@H]2CCS(=O)(=O)C2)c1[B-](F)(F)F	2172767623	WOGLTIUTSVOJBG-SECBINFHSA-N	322.141	0.710	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@]12CCC[C@@H]1CSC2	2201868892	CZCXZZXKYQQBKS-PWSUYJOCSA-N	322.427	0.782	70	10	DCIE	
C[C@]1(C(F)(F)F)C[C@@H]1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287080539	SEWRYDKYRBVODA-OOZYFLPDSA-N	318.292	0.980	70	10	DCIE	
O=C(CCc1ccccn1)N[C@@H]1CCN(S(=O)(=O)F)C1	2287071933	WFYGATVLWIXXHW-LLVKDONJSA-N	301.343	0.419	70	10	DCIE	
Cc1cc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cc(O)n1	2287068111	JTFAVIDGRFXHFO-VIFPVBQESA-N	303.315	0.114	70	10	DCIE	
COC1(C(F)F)CC(C(=O)N2CC(S(=O)(=O)F)C2)C1	2343092124	XFXDSNYTMCNLQD-UHFFFAOYSA-N	301.286	0.557	70	10	DCIE	
CCCO[C@H]1CS(=O)(=O)C[C@@H]1C1(S(=O)(=O)Cl)CC1	696653577	FUKQDXLEFRJJOV-IUCAKERBSA-N	316.828	0.927	70	10	DCIE	
C[C@H](CO[C@@H]1CCN(S(C)(=O)=O)C1)CS(=O)(=O)Cl	2257818042	KURGTLZTTNWEIP-RKDXNWHRSA-N	319.832	0.242	70	10	DCIE	
CN(C)C(=O)CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	1306916655	MAALDUYOKBEFPH-UHFFFAOYSA-N	319.314	0.894	70	10	DCIE	
CO[C@H]1C[C@H](c2nnc(S(=O)(=O)Cl)n2C)C[C@H]1OC	2118264135	ODNXUSQWIHJCQU-WHUPJOBBSA-N	309.775	0.650	70	10	DCIE	
COc1cnc(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)nc1	1544585163	SNPVYMBIWBVVOT-UHFFFAOYSA-N	314.298	0.748	70	10	DCIE	
COCCNS(=O)(=O)c1ccccc1S(=O)(=O)Cl	379738030	UKOFXCNSUBTFPK-UHFFFAOYSA-N	313.784	0.539	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cc(N)cc(C)c2C)CCOC1	159897653	UEQOHXFBJYKAAD-AWEZNQCLSA-N	314.407	0.969	70	10	DCIE	
COC[C@@]1(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)CCCO1	1968234832	GDKQGJVRRHGWQG-CMPLNLGQSA-N	309.359	0.472	70	10	DCIE	
CCc1nc(S(=O)(=O)CCS(=O)(=O)Cl)ns1	1978097369	CEBJWSFBJXBTEK-UHFFFAOYSA-N	304.802	0.443	70	10	DCIE	
CNc1ccc(S(=O)(=O)NC[C@]2(OC)CCOC2)cn1	161203919	CVGBLFMWPINYFK-GFCCVEGCSA-N	301.368	0.207	70	10	DCIE	
COc1nc(N(C)C[C@@H]2COCCO2)ncc1[B-](F)(F)F	2172758185	MMJZCKZBZSHDKV-MRVPVSSYSA-N	306.073	0.391	70	10	DCIE	
CCc1c(C(=O)N2CC(CS(=O)(=O)F)C2)nnn1CC	2199684305	MNAIVULRRYUEAC-UHFFFAOYSA-N	304.347	0.232	70	10	DCIE	
C[C@@H](CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)C(F)(F)F	2271486232	VLWSJNKLCAWYRC-NKWVEPMBSA-N	306.281	0.980	70	10	DCIE	
CC(C)(C)CCS(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271517093	VYXPKHUPSDGONQ-VIFPVBQESA-N	316.420	0.631	70	10	DCIE	
Cc1cc(C)cc(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)c1	2284152175	YBQFRALQTCSDQF-UHFFFAOYSA-N	322.383	0.480	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)CC(F)F)c1S(=O)(=O)Cl	135265158	BZVZCLKEJVTYMQ-UHFFFAOYSA-N	301.702	0.983	70	10	DCIE	
O=C(Cn1cnc(S(=O)(=O)Cl)c1)NC1CCOCC1	215900285	COVYXNNMCXNULK-UHFFFAOYSA-N	307.759	0.106	70	10	DCIE	
CN(CCS(=O)(=O)N(C)C)c1ccncc1[B-](F)(F)F	2116144561	FZIWKPXLYGRBLN-UHFFFAOYSA-N	310.130	0.464	70	10	DCIE	
C#CCCN[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1266971881	QKSYOSJJXXMOKD-SECBINFHSA-N	301.343	0.404	70	10	DCIE	
CC(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1703866258	SZIOXBMRJYBAMK-NSHDSACASA-N	317.342	0.317	70	10	DCIE	
C=CCNCC1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1717390265	UAKSUFIEXKNPOE-UHFFFAOYSA-N	315.370	0.957	70	10	DCIE	
Nc1cc(F)ccc1-c1nnnn1C[C@H]1CCCS1(=O)=O	160066306	RLXKZGDHDSPBDN-SECBINFHSA-N	311.342	0.639	70	10	DCIE	
C[C@@H]1OCC[C@H]1N(C)c1nc(Cl)nc(N2CCOCC2)n1	160464928	MNMXLFNIZFBARO-VHSXEESVSA-N	313.789	0.975	70	10	DCIE	
O=C(NC[C@]1(CCO)CCOC1)C(=O)Nc1ccc(F)cc1	160903165	JVNWNVRLTPEAIQ-HNNXBMFYSA-N	310.325	0.670	70	10	DCIE	
COCCCS(=O)(=O)N1CCC(Cn2cccn2)CC1	159403330	VYNMZWCJYIUUEY-UHFFFAOYSA-N	301.412	0.961	70	10	DCIE	
CNCC[C@@H]1CCCCN1c1cnn(CCO)c(=O)c1Cl	159538977	UWWLXBXYLFVKLZ-NSHDSACASA-N	314.817	0.857	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)c2ccns2)C1	1941155733	LBZZNAARBHGJOR-ZCFIWIBFSA-N	300.358	0.205	70	10	DCIE	
CN[C@@H](c1c(Cl)cnn1CCOC)[C@@H]1CN(C)CCO1	161051290	QNQTZUCATRUWGR-NWDGAFQWSA-N	302.806	0.774	70	10	DCIE	
C[C@@]1(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CCOC1	163336115	XXTFNLOMXYVPGT-LLVKDONJSA-N	323.367	0.802	70	10	DCIE	
Cc1nc(N2CC[C@@H]3OCCO[C@H]3C2)ncc1[B-](F)(F)F	2172769496	YMKLBNJJKJFETJ-QWRGUYRKSA-N	302.085	0.834	70	10	DCIE	
COc1nc(N2CCN(C)[C@H]3CC[C@@H]32)ncc1[B-](F)(F)F	2172757401	AWHMOWJBIOZSGK-UWVGGRQHSA-N	301.101	0.822	70	10	DCIE	
CN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)F)nc2)CC1=O	2166541931	CZVVAPCGQVFZPZ-SSDOTTSWSA-N	301.299	0.157	70	10	DCIE	
CO[C@H]1CN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)C[C@@H]1F	2090291322	NUQBJGDXRRIQEP-CBAPKCEASA-N	310.734	0.751	70	10	DCIE	
COC[C@]1(C)C[C@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2284673412	ZPKRJAJLTXXDOO-CPCISQLKSA-N	322.770	0.549	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@@H]2CC[C@H](C1)O2	2287066506	BUKUPFARRQQQFO-MMWGEVLESA-N	306.359	0.349	70	10	DCIE	
Cc1nc2ccccc2n1CCC(=O)N1CC[C@@H](CO)[C@H](O)C1	216861272	GTXQELACYHSYDG-XJKSGUPXSA-N	317.389	0.937	70	10	DCIE	
COC(=O)C1=CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1131198652	ARYIHQVMABIYAV-MRVPVSSYSA-N	316.310	0.665	70	10	DCIE	
CCN(CCNC[C@@H]1CCCN(S(C)(=O)=O)C1)C1CC1	218388136	VAMMDQFZZZUBQJ-ZDUSSCGKSA-N	303.472	0.732	70	10	DCIE	
C[C@H](CNCCCO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1666619681	INDODAXBIXMLFQ-SECBINFHSA-N	321.374	0.011	70	10	DCIE	
Cn1cnc2cc(C(=O)N3CCN(c4cccnn4)CC3)cnc21	160313326	BIEWKSYKMMTVAD-UHFFFAOYSA-N	323.360	0.721	70	10	DCIE	
COc1cc(S(=O)(=O)NCCNC(=O)C2CC2)ccc1N	160650491	ZMXVXDIRRXVJDD-UHFFFAOYSA-N	313.379	0.082	70	10	DCIE	
COC(=O)Cc1csc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)n1	160843293	CQVQMATZESGDQB-KOLCDFICSA-N	309.391	0.964	70	10	DCIE	
COc1cc(S(=O)(=O)NCC(=O)NC(C)(C)C)ccc1N	159845566	FNAQJJVXXOQXIW-UHFFFAOYSA-N	315.395	0.470	70	10	DCIE	
C[C@H](Cn1cncn1)NC(=O)c1cccc2c1oc(=O)n2C	159982208	GGTDARQCVNIDKE-SECBINFHSA-N	301.306	0.542	70	10	DCIE	
C#C[C@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1878658035	QLNQXRFDQSYRDH-VIFPVBQESA-N	305.352	0.892	70	10	DCIE	
Cc1c(O)cccc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974058210	DABIRAQINAPCIZ-UHFFFAOYSA-N	302.327	0.577	70	10	DCIE	
CC(C)CO[C@H](C)C(=O)NC1CCN(S(=O)(=O)F)CC1	1974402239	LKMZZLCRBZKCDH-SNVBAGLBSA-N	310.391	0.842	70	10	DCIE	
CCc1ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)s1	161424365	ZGGBDDMLOXOCFK-GFCCVEGCSA-N	306.453	0.901	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CC23COCC2(COC3)C1	2172775645	FJGWYQMIPQFGOL-UHFFFAOYSA-N	300.069	0.384	70	10	DCIE	
CN(C[C@@H]1C[C@@H]2OCC[C@H]2O1)c1ncncc1[B-](F)(F)F	2172777949	JONIYSJUIZFIDI-GDPRMGEGSA-N	302.085	0.914	70	10	DCIE	
Cc1ccc(OC[C@@H]2CCS(=O)(=O)N2)c(S(=O)(=O)F)c1	2191424714	VOWXWVVGMAIHCW-VIFPVBQESA-N	323.367	0.724	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CCC[C@H]1C(F)F	2270135934	ZZVQKQQSPFRPKV-SFYZADRCSA-N	300.302	0.683	70	10	DCIE	
O=C(CSCc1cccs1)NC1CN(S(=O)(=O)F)C1	2268804819	UJZHURRWJPIDMF-UHFFFAOYSA-N	324.424	0.996	70	10	DCIE	
COCC(COC)OC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	388995581	DBTDNVOSEQDUPI-UHFFFAOYSA-N	311.743	0.760	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)C=Cc2ccccc2)C1	2134974160	BDRCVXOBTFQYPQ-UHFFFAOYSA-N	305.352	0.971	70	10	DCIE	
CCN(CCNC(C)=O)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1528718453	PFLFGKSOQMBGJZ-UHFFFAOYSA-N	305.331	0.271	70	10	DCIE	
CN1CCC2(CC1)CCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1	1520804087	RWPKQFMUOXTLEF-UHFFFAOYSA-N	315.370	0.983	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ccncc2Cl)[nH]1	1923177031	FTEABOJOCBCQIO-UHFFFAOYSA-N	318.717	0.801	70	10	DCIE	
COc1cccc(CS(=O)(=O)NC[C@](C)(O)CN(C)C)c1	161457366	ZAZUBFJJXPVHSJ-AWEZNQCLSA-N	316.423	0.427	70	10	DCIE	
CN(CCN1CCOCC1)C(=O)c1cnc2c(c1)ncn2C	160334521	AVEGNFDAJDULSX-UHFFFAOYSA-N	303.366	0.373	70	10	DCIE	
CNc1nc(Cl)nc(N2CCOC[C@H]2C(=O)NC(C)C)n1	160578184	FENFBUYANCCWBF-QMMMGPOBSA-N	314.777	0.297	70	10	DCIE	
Cc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)c(C)nn1	1968234845	GGOCAKDGKSHCPJ-SNVBAGLBSA-N	301.343	0.997	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1(F)CC2(CCC2)C1	1974055494	RUAOKHRIRZREQC-UHFFFAOYSA-N	308.350	0.921	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N[C@H](C)C(=O)N(C)C)c1F	159471681	NGGWQXYNEHEMPW-MRVPVSSYSA-N	303.359	0.471	70	10	DCIE	
CCC[C@@H](CN)Nc1cnn(CCN(C)C)c(=O)c1Cl	159595101	QEJICCYIJFAQDP-JTQLQIEISA-N	301.822	0.998	70	10	DCIE	
COC(=O)Cn1ncc(NC[C@@H](N)C(C)C)c(Cl)c1=O	159543666	XWWKJRSXMGELMP-MRVPVSSYSA-N	302.762	0.465	70	10	DCIE	
CN1CCO[C@H](Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)C1	215915222	DYKFLJWBVYHDBM-ZETCQYMHSA-N	324.746	0.049	70	10	DCIE	
CN(C)S(=O)(=O)NC[C@H]1CCCN(c2nccs2)C1	218188987	NOOVVZRXWFJEBR-SNVBAGLBSA-N	304.441	0.756	70	10	DCIE	
COc1ccc(S(=O)(=O)Cl)cc1CC(=O)NC1COC1	2165345974	RXGAFAZIWXINBX-UHFFFAOYSA-N	319.766	0.680	70	10	DCIE	
CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NS(=O)(=O)F)C1	1953574473	VGUWOWGMRQXTLT-LWESTGQBSA-N	316.376	0.966	70	10	DCIE	
CN(C)C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1263716846	OSHYUYRYONBDCX-SECBINFHSA-N	303.359	0.839	70	10	DCIE	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H](C)CC(N)=O	1460129291	WLILHWKFXGPMDT-QMMMGPOBSA-N	302.327	0.647	70	10	DCIE	
C[C@H](CNCCCF)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1666620215	NIGVGYJREAGHLA-SECBINFHSA-N	323.365	0.988	70	10	DCIE	
CN(CC(=O)NC(C)(C)C)C(=O)N[C@H]1CCc2ncnn2C1	161226464	OBLCDXMHRPLFQU-JTQLQIEISA-N	308.386	0.149	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@]1(C)CCOC1	162383198	RVCBGTCAQMUPHH-NSHDSACASA-N	306.771	0.861	70	10	DCIE	
CO[C@@H]1CN[C@@H](C(=O)Nc2cc(S(C)(=O)=O)ccc2O)C1	160311971	JOUIUIAPRGAYEC-GZMMTYOYSA-N	314.363	0.111	70	10	DCIE	
C[C@@H](CO)N(C)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1	160515508	LMXOSRVQRQAGNN-TVQRCGJNSA-N	322.340	0.085	70	10	DCIE	
C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CS(=O)(=O)C(C)(C)C	160913285	RCCMBUMGIXPDRQ-VHSXEESVSA-N	304.412	0.312	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)NCc2ccccc2CO)C[C@H](C)O1	159748466	QAFIVPNNWBFJNB-RYUDHWBXSA-N	314.407	0.623	70	10	DCIE	
Cc1cc(O)cc(C(=O)NCC2CN(S(=O)(=O)F)C2)c1	1974055463	RGEYKYNWVXLIQF-UHFFFAOYSA-N	302.327	0.577	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)N2CCCCC2)C1	2028126241	DSKRUHWIAPNOEO-SECBINFHSA-N	300.377	0.091	70	10	DCIE	
CC(C)S(=O)(=O)NC1CN(c2ncccc2[B-](F)(F)F)C1	2172785594	VLKSBLXZVSFAJW-UHFFFAOYSA-N	322.141	0.652	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCS(=O)(=O)[C@H](C)[C@@H]2C)n1	2172757408	AXSKTNKPWTWGMX-JGVFFNPUSA-N	322.141	0.851	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CCNC(=O)C1	2109226236	XKJSAGXXNLEMCQ-QMMMGPOBSA-N	305.787	0.899	70	10	DCIE	
O=C(Nc1ccc(S(=O)(=O)Cl)cc1)[C@@H]1CCS1(=O)=O	2094340001	CPUAJQQBIJDEGG-VIFPVBQESA-N	323.779	0.740	70	10	DCIE	
O=C(COC1CCCCC1)N[C@@H]1CCN(S(=O)(=O)F)C1	2287065105	JAURLOLNEGKEEZ-SNVBAGLBSA-N	308.375	0.741	70	10	DCIE	
CC(C)(C)OC(=O)NC[C@H]1COCCN1S(=O)(=O)Cl	1953574295	SZGGICBQCXSBFS-QMMMGPOBSA-N	314.791	0.696	70	10	DCIE	
C[C@H](OC(=O)c1cccc(S(=O)(=O)F)c1)c1nnnn1C	1128518938	RMQWPJFZBISCEW-ZETCQYMHSA-N	314.298	0.786	70	10	DCIE	
CC(C)CNC(=O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1353198593	VAQKHUJSAOUXGW-UHFFFAOYSA-N	305.331	0.175	70	10	DCIE	
CCC(=O)c1ccc(S(=O)(=O)Cl)c(OC[C@@H](O)CO)c1	260996425	FHQVTDWQNJEKQO-VIFPVBQESA-N	322.766	0.939	70	10	DCIE	
O=C(N1CC[C@H](S(=O)(=O)F)C1)C1(Br)CC1	1960898135	SZOHWDBHTKKZKE-LURJTMIESA-N	300.149	0.814	70	10	DCIE	
N#CCNC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1690739109	JMQVBYZYWDFHSY-VIFPVBQESA-N	314.342	0.248	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N(CC(N)=O)CC(C)C)c1F	159483917	UVOPLFQTXALTAK-UHFFFAOYSA-N	317.386	0.848	70	10	DCIE	
CCc1nnc(C)cc1C(=O)N1CC[C@H](S(=O)(=O)F)C1	1968234740	FHIYOFKTGHQTAG-VIFPVBQESA-N	301.343	0.861	70	10	DCIE	
CN(C)CCN(C)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	163322793	FZSMZUPVJSFYCJ-UHFFFAOYSA-N	324.399	0.527	70	10	DCIE	
CN1CCO[C@@H]2CN(c3ncc([B-](F)(F)F)cc3F)C[C@@H]21	2172796954	YPLNRDFSMRQTQP-WDEREUQCSA-N	304.076	0.794	70	10	DCIE	
O=C(N[C@@H]1COc2ccc(S(=O)(=O)Cl)cc21)C1COC1	2176500049	YYPMAPGAFXEGMP-SNVBAGLBSA-N	317.750	0.810	70	10	DCIE	
Cc1cc(S(=O)(=O)F)ccc1OC[C@H]1CCS(=O)(=O)N1	2191424685	VKNMMHLRIPSRQK-SECBINFHSA-N	323.367	0.724	70	10	DCIE	
CCn1c(S(=O)(=O)CCS(=O)(=O)Cl)nc(C)c1C	2085164732	SPPKVXHXSNHJGK-UHFFFAOYSA-N	314.816	0.862	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)[C@@H]2COC[C@H]2OC)n1	2280490588	KPWSXGDTHONJOO-NXEZZACHSA-N	305.085	0.995	70	10	DCIE	
CN(CC1CC(S(C)(=O)=O)C1)c1ncc([B-](F)(F)F)cn1	2285357664	MPLUCOABDBIWFY-UHFFFAOYSA-N	322.141	0.790	70	10	DCIE	
COc1cccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1	2287074556	HAAHDAQYDZHFNV-SNVBAGLBSA-N	302.327	0.714	70	10	DCIE	
Cc1nc(C=CC(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cs1	2287069031	KZDLQFIDALKKIU-VIFPVBQESA-N	319.383	0.870	70	10	DCIE	
Cn1nnc(Br)c1S(=O)(=O)Br	301021078	KFCNIFYWAXUZRX-UHFFFAOYSA-N	304.951	0.661	70	10	DCIE	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1OCC(N)=O	123085521	HMMRDHBRUYIREB-UHFFFAOYSA-N	308.699	0.695	70	10	DCIE	
C[C@H]1[C@H](C)S(=O)(=O)CCN1c1ncncc1[B-](F)(F)F	2116144580	GDJFZKDDLSKWQV-YUMQZZPRSA-N	308.114	0.543	70	10	DCIE	
CCN1CCC[C@H]1CNS(=O)(=O)c1c[nH]c(CNC)c1	217516466	ULALTSBHPGNRRY-LBPRGKRZSA-N	300.428	0.497	70	10	DCIE	
CCOC(C)(C)CS(=O)(=O)N1CC(CS(=O)(=O)F)C1	2134975453	PTWUPGJGWZAJBG-UHFFFAOYSA-N	317.404	0.362	70	10	DCIE	
Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)c(C)c1	2134974235	CDVREAACTNOLSV-UHFFFAOYSA-N	307.368	0.976	70	10	DCIE	
Cc1ccc(NC(=O)CCn2cnnn2)cc1S(=O)(=O)F	1533780838	LDZZQQRKHPJNRD-UHFFFAOYSA-N	313.314	0.669	70	10	DCIE	
C[C@]1(NC(=O)c2c(F)ccc(S(N)(=O)=O)c2F)CCOC1	160213764	YRPHDALOWVPMOW-LBPRGKRZSA-N	320.317	0.521	70	10	DCIE	
CN(C)c1ccc(NC(=O)C(=O)NCCn2cccc2)cn1	160249912	GOKSSKZIBMDPOX-UHFFFAOYSA-N	301.350	0.704	70	10	DCIE	
O=C(NC[C@H]1CN(C2CC2)CCO1)C(=O)Nc1ccccc1	160405561	NJCRDSCCJCLRTM-AWEZNQCLSA-N	303.362	0.605	70	10	DCIE	
CN(CCS(=O)(=O)c1cccc(C(=N)N)c1)[C@@H]1CCOC1	159629427	PVVCEWLBQMNHKK-GFCCVEGCSA-N	311.407	0.465	70	10	DCIE	
CNC(=O)[C@H](NC(=O)COc1cc(C)n(C)n1)c1ccccc1	159768586	SKPDNKGRNQIIOZ-OAHLLOKOSA-N	316.361	0.711	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1cc(C)ccc1C(N)=S	159790275	PYMRGPQWWPNZBX-ZDUSSCGKSA-N	307.419	0.971	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3CCOC[C@@H]32)c1S(=O)(=O)Cl	2150119919	BALVXLMKFNVMDW-BIIVOSGPSA-N	319.770	0.410	70	10	DCIE	
CCSCC[C@H](C)NC(=O)C[C@@H]1CS(=O)(=O)CCN1	160226870	BPHCQQJFNLLPPK-WDEREUQCSA-N	308.469	0.411	70	10	DCIE	
CCCn1c(Cc2cnn(C)c2)nnc1S(=O)(=O)Cl	695560219	DGQRIROXUUVUKT-UHFFFAOYSA-N	303.775	0.940	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)c2ncccc2F)C1	2088468855	GYCRRFIMOOICPQ-ZETCQYMHSA-N	312.319	0.283	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cc(Cl)ns1	2258993607	PNGPBWQOKHTMPW-RXMQYKEDSA-N	313.763	0.815	70	10	DCIE	
Cn1ncc(Cl)c1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271503145	OPXKGEBRAOJJOY-ZCFIWIBFSA-N	310.738	0.092	70	10	DCIE	
CC(C)(C)OC(=O)NCCNC(=O)NC(=O)C1CCNCC1	217263832	VRUXRXOBTLXNNB-UHFFFAOYSA-N	314.386	0.337	70	10	DCIE	
O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc(O)cc3)CC[C@@H]2N1	160484820	SDQRBJNVJUQDOB-MFKMUULPSA-N	310.375	0.681	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@]2(C)CCO[C@@H]2C)c1S(=O)(=O)Cl	235591633	JNXVCXRMYSHBHV-RDDDGLTNSA-N	321.786	0.943	70	10	DCIE	
O=C([C@H]1C[C@H](Br)C1)N1CC(CS(=O)(=O)F)C1	1992831689	PHBUWYAFLCGWPR-ZKCHVHJHSA-N	314.176	0.918	70	10	DCIE	
COc1cccc(S(=O)(=O)NCCS(=O)(=O)Cl)c1	2035007501	HREDPRDHDMFNHI-UHFFFAOYSA-N	313.784	0.542	70	10	DCIE	
COc1nc(N2C[C@H](OC)[C@H](OC)C2)ncc1[B-](F)(F)F	2172767681	XKGSOSGIGSPVPG-DTORHVGOSA-N	306.073	0.390	70	10	DCIE	
O=C(CCOCc1ccccc1)NC1CN(S(=O)(=O)F)C1	2241573749	LYMFNKNKBWTRBR-UHFFFAOYSA-N	316.354	0.608	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)Cc2cn(C)nn2)n1	2280490083	FAKLUNLUCSTHRL-UHFFFAOYSA-N	300.073	0.910	70	10	DCIE	
COC[C@]1(C)C[C@@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	2284685155	YYOFLQYPLHFFLQ-PWSUYJOCSA-N	308.375	0.454	70	10	DCIE	
C#CCN[C@@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1275491849	KBHSFACHSNYQRM-DTWKUNHWSA-N	301.343	0.403	70	10	DCIE	
Cc1ccccc1OCC(=O)NC[C@@H](O)Cn1ccccc1=O	218416229	OQRTZMJOQVEPOU-CQSZACIVSA-N	316.357	0.713	70	10	DCIE	
COc1ccc(OCCNC(=O)Nc2ccc(=O)[nH]n2)cc1	217304004	UDQAOJAVTZTZKF-UHFFFAOYSA-N	304.306	0.979	70	10	DCIE	
CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)F)CCCO1	1954657134	VQFKPGDSOHKVJN-SECBINFHSA-N	312.363	0.816	70	10	DCIE	
Cn1nnc(-c2nnc(S(=O)(=O)Cl)n2C(C)(C)C)n1	697248353	IRDATDVUJZFWCL-UHFFFAOYSA-N	305.751	0.151	70	10	DCIE	
CS(=O)(=O)N1CCC[C@@H](C2(S(=O)(=O)Cl)CC2)C1	689688688	RSMZDLZWARXBJG-MRVPVSSYSA-N	301.817	0.759	70	10	DCIE	
O=C(NCCCN1CCCC1=O)c1cc(S(=O)(=O)F)c[nH]1	1347189152	NKQVEYAVHFFGJV-UHFFFAOYSA-N	317.342	0.415	70	10	DCIE	
C[C@@H]1CCCCN1CCCNS(=O)(=O)N(C)CCCO	217711908	PHTLLLKVXDGXJL-CYBMUJFWSA-N	307.460	0.400	70	10	DCIE	
CC1(OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)CNC1	161120928	SHBBMHIZAOAUJV-QWHCGFSZSA-N	314.451	0.878	70	10	DCIE	
CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@@H](C)CO)c1	160435254	QGQOCVADALFCDZ-QMMMGPOBSA-N	320.798	0.701	70	10	DCIE	
CCNC(=O)N1CC[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1	160822012	MUBJIMKJBFDFAI-NSHDSACASA-N	316.365	0.502	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1Cc1cccc(C(N)=S)c1	159815248	OCYCEZDMJAFZSB-ZDUSSCGKSA-N	307.419	0.658	70	10	DCIE	
CS(=O)(=O)N1CCOc2ccc(S(=O)(=O)Cl)cc21	1857801875	HQJQFBBCUPIGLX-UHFFFAOYSA-N	311.768	0.773	70	10	DCIE	
CC(C)n1nccc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974055202	NVLITMTWPLHOFC-UHFFFAOYSA-N	304.347	0.340	70	10	DCIE	
O=C1C[C@@H](COc2ccc(C(=O)O)cc2S(=O)(=O)Cl)N1	2149190930	YAICYAPFVIEXGC-ZETCQYMHSA-N	319.722	0.580	70	10	DCIE	
CC(C)[C@H](CN)C(=O)Nc1cc(S(C)(=O)=O)ccc1O	160320121	IHPUYHNRIJBVIU-JTQLQIEISA-N	300.380	0.965	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCOC2(CCOCC2)C1	2172785877	OEYVRIMMMAWQSO-UHFFFAOYSA-N	302.085	0.917	70	10	DCIE	
Cc1ncnc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1[B-](F)(F)F	2172766014	ZUNJOGXRMAWOAY-DTWKUNHWSA-N	320.125	0.463	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCO[C@@H]1CCOC1	2182345373	XTCGGSKTIKMIGX-SECBINFHSA-N	324.786	0.763	70	10	DCIE	
CC12CC(CS(=O)(=O)Cl)(C1)[C@@H](CCS(C)(=O)=O)O2	2043850124	NBWVSYCGFFMIPO-XNWIYYODSA-N	316.828	0.927	70	10	DCIE	
COC(=O)CS(=O)(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2073781540	NBJPVIDJGWRLEY-IONNQARKSA-N	300.087	0.803	70	10	DCIE	
C[C@H]1C(S(=O)(=O)NC2CCN(S(=O)(=O)F)CC2)[C@@H]1C	2112719181	YEXOKCJBHLPIOV-HTQZYQBOSA-N	314.404	0.239	70	10	DCIE	
CCn1c(-c2cn3cnnc3cn2)nnc1S(=O)(=O)Cl	694997204	DVAUXZCRGXEUBU-UHFFFAOYSA-N	313.730	0.330	70	10	DCIE	
C[C@H](O)CNCCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1268852529	QFZHTEFTNPRJEC-VIFPVBQESA-N	321.374	0.105	70	10	DCIE	
CCC(=O)N(C)[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1726023620	WHWWQBANEPFZKE-QMMMGPOBSA-N	319.358	0.660	70	10	DCIE	
CNC(=O)c1cccnc1N[C@H]1CCc2nc(COC)nn2C1	161355602	ZOPLHSHWKYMSKY-JTQLQIEISA-N	316.365	0.606	70	10	DCIE	
Cn1c(=O)[nH]c2cc(C(=O)N3C[C@@H]4CCC[C@H](C3)N4)ccc21	160263836	ZMJDBCAJVARMSM-TXEJJXNPSA-N	300.362	0.833	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1Cc1cc(F)cc(C(N)=S)c1	159818965	UVKPBZQVCGSZKS-LBPRGKRZSA-N	311.382	0.407	70	10	DCIE	
CC(C)N1C[C@@H](C(=O)N2CC[C@@H](S(=O)(=O)F)C2)CC1=O	2144733033	LTYNSHRASGMXNK-VHSXEESVSA-N	306.359	0.144	70	10	DCIE	
COC1(CC(=O)N2CCN(S(=O)(=O)F)CC2)CCCC1	1974015250	RLUYWCIOMPWRTK-UHFFFAOYSA-N	308.375	0.694	70	10	DCIE	
O=C(N1CCN(S(=O)(=O)F)CC1)[C@@]12CCC[C@@H](C1)OC2	1974014760	MJJQLLJIWXMZEC-JQWIXIFHSA-N	306.359	0.304	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ncoc1C1CC1	1974055744	VQCYGDDIVMQSGJ-UHFFFAOYSA-N	303.315	0.428	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NCC12CC(CO1)C2	2145370371	HKGXKOKYHUUTAD-UHFFFAOYSA-N	318.782	0.861	70	10	DCIE	
CCCN(c1cnn(CCOC)c(=O)c1Cl)C1CNC1	159689583	ZWLSAFSHMPQNJJ-UHFFFAOYSA-N	300.790	0.731	70	10	DCIE	
CN(C[C@@]12CCC[C@H]1CS(=O)(=O)C2)S(=O)(=O)Cl	2023523427	KJMVPMXEZDRLJT-DTWKUNHWSA-N	301.817	0.617	70	10	DCIE	
Cc1ncnc(N2CC[C@H](CS(C)(=O)=O)C2)c1[B-](F)(F)F	2172765503	SANJTTGURPKWES-VIFPVBQESA-N	322.141	0.710	70	10	DCIE	
Cc1ncnc(N2CCOC[C@@H]2CN(C)C)c1[B-](F)(F)F	2172768480	JRHYYXQSHNKGIG-JTQLQIEISA-N	303.117	0.606	70	10	DCIE	
COc1ccc(S(=O)(=O)Cl)cc1CNC(=O)C1COC1	2176498696	GANPLTUGJKFQHS-UHFFFAOYSA-N	319.766	0.885	70	10	DCIE	
COCC(CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1)COC	2199382168	SKSDRNCOMNIOCF-UHFFFAOYSA-N	324.786	0.581	70	10	DCIE	
COc1ccc(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)cn1	2207113263	GMLLGMWHCZQIGG-UHFFFAOYSA-N	324.355	0.010	70	10	DCIE	
Cc1ccc(O)cc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287071956	JTTQLZOHIVBHJC-VIFPVBQESA-N	302.327	0.719	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1CC[C@@H]2[C@H]1C2(F)F	2354656587	UJPXGXCICATUNR-YIZRAAEISA-N	312.313	0.540	70	10	DCIE	
C[C@H](CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1)[S@@](C)=O	135262774	NLEHLXBXVSYMDH-DDNLTXGXSA-N	312.800	0.439	70	10	DCIE	
Cn1cc(Cl)c(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)n1	1968227323	MUGJAQDNMJQQFR-ZETCQYMHSA-N	309.750	0.977	70	10	DCIE	
COc1ccsc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974059501	MCOOBSCEKANNRH-UHFFFAOYSA-N	308.356	0.633	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12	1974055736	VLGJZKGDOAEGAD-WTPMCQDGSA-N	302.371	0.541	70	10	DCIE	
COc1ncccc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001433	SYQNENFYTPATAP-UHFFFAOYSA-N	303.315	0.062	70	10	DCIE	
Cc1cc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)c(C)s1	161480541	OGQIDNABQBBRQJ-GFCCVEGCSA-N	306.453	0.956	70	10	DCIE	
Cc1ncnc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c1[B-](F)(F)F	2172758260	NISLUDBOPQTJDS-YUMQZZPRSA-N	322.141	0.851	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CN(c2ccncc2[B-](F)(F)F)CCO1	2172780228	NOFYOMHFHNGGRN-VIFPVBQESA-N	323.125	0.386	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CCN(C)C1=O	2182344026	NNXQHMWRJBEYDP-MRVPVSSYSA-N	321.786	0.435	70	10	DCIE	
COc1nn(C[C@H]2[C@@H]3COC[C@@H]32)c(OC)c1S(=O)(=O)Cl	2188904848	NHDDSXGXNFMLJU-WHUPJOBBSA-N	322.770	0.720	70	10	DCIE	
CCn1c(-c2cccc3ncnn23)nnc1S(=O)(=O)Cl	2184219335	HCCZJYCHJGREIB-UHFFFAOYSA-N	312.742	0.935	70	10	DCIE	
O=C(N[C@@H]1C[C@H]2CO[C@H]1C2)c1cc(S(=O)(=O)Cl)c[nH]1	2270753964	PBQKAKWOSXJFPM-YNEQXMIYSA-N	304.755	0.849	70	10	DCIE	
COc1cccc(C(=O)NC2CN(S(=O)(=O)F)C2)c1F	2284151094	ODDJHOLTEOPPLL-UHFFFAOYSA-N	306.290	0.463	70	10	DCIE	
COCCn1c(C[C@H](C)COC)nnc1S(=O)(=O)Cl	133335859	KHPCWCQEDRNZAI-QMMMGPOBSA-N	311.791	0.677	70	10	DCIE	
Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCC[C@@H](C(N)=O)C1	160213522	JNCGKZSUAUSHBT-MNOVXSKESA-N	314.411	0.359	70	10	DCIE	
N[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1	160888956	ZGJLZAQSXAETJO-GHMZBOCLSA-N	316.361	0.076	70	10	DCIE	
O=C(C1C[C@@H]2CC[C@H](C1)O2)N1CCN(S(=O)(=O)F)CC1	1974013806	ALHFLEBIDSCWDV-FGWVZKOKSA-N	306.359	0.303	70	10	DCIE	
CO[C@@H](c1nnc(S(=O)(=O)Cl)n1C)C1CCOCC1	2093878261	GRHKRRHJNZVEDV-MRVPVSSYSA-N	309.775	0.857	70	10	DCIE	
Cc1cnc(N2C[C@H]3C[C@H]2CS3(=O)=O)c([B-](F)(F)F)c1	2116152974	MWRMFPUCEFZRKH-DTWKUNHWSA-N	305.110	0.820	70	10	DCIE	
CCc1ccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)cc1	2134976046	VIKXLIQASWOMOL-UHFFFAOYSA-N	307.368	0.921	70	10	DCIE	
COCc1cnccc1C(=O)N1CC[C@@H](S(=O)(=O)F)C1	2185939966	TYNJPQSOLFGLGR-SNVBAGLBSA-N	302.327	0.742	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1csc2cncn12	2287076871	KFDJSSLESJUMMD-SSDOTTSWSA-N	318.355	0.414	70	10	DCIE	
O=S1(=O)C[C@@H]2[C@@H](CCN2c2ccncc2[B-](F)(F)F)C1	2116144214	DHSJXPWERBSJSI-GZMMTYOYSA-N	305.110	0.759	70	10	DCIE	
COC[C@H](C)NC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1716411843	AKJXSJAFOCZVDU-BDAKNGLRSA-N	321.374	0.416	70	10	DCIE	
CC1(OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)CNC1	161120690	SHBBMHIZAOAUJV-CHWSQXEVSA-N	314.451	0.878	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2N3)c1	160322083	UQKUQAMGNDDNOU-IEBDPFPHSA-N	310.375	0.875	70	10	DCIE	
CNC(=O)[C@H]1COCCN1Cc1nc(N)c2ccsc2n1	160382012	ZTLDOUDNCRKTGT-SECBINFHSA-N	307.379	0.220	70	10	DCIE	
Cc1cc(S(N)(=O)=O)ccc1C(=O)N(C)[C@@H]1CCO[C@H]1C	160507194	RGNZWFHVLQEJBR-GXFFZTMASA-N	312.391	0.892	70	10	DCIE	
Cc1cc(F)c(S(=O)(=O)NCCNC(=O)N(C)C)cc1N	160693467	OGVGBCOXYMKSEO-UHFFFAOYSA-N	318.374	0.266	70	10	DCIE	
CCO[C@]1(C(=O)N2CCC(S(=O)(=O)F)CC2)CCOC1	1968217442	LLRMIRKPPGHYRH-GFCCVEGCSA-N	309.359	0.472	70	10	DCIE	
CC(C)S(=O)(=O)C[C@]1(C)CC(=O)N1S(=O)(=O)Cl	2003984228	AUUIJFCFRKKSML-QMMMGPOBSA-N	303.789	0.284	70	10	DCIE	
COCCNCCNc1cnn(CCOC)c(=O)c1Cl	159995338	SOISGNCNGKYRHH-UHFFFAOYSA-N	304.778	0.191	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)CC2(C)COC2)c1S(=O)(=O)Cl	703025740	PKMNMJCQOQVTCL-UHFFFAOYSA-N	321.786	0.754	70	10	DCIE	
C[C@H]1C[C@H](CC(=O)NC2CCN(S(=O)(=O)F)CC2)CO1	2169027548	YCRWIWIYFGKUQH-VHSXEESVSA-N	308.375	0.596	70	10	DCIE	
CO[C@H](C)CCS(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2109244676	DOLCEXIFLXAXNN-SECBINFHSA-N	317.404	0.505	70	10	DCIE	
CO[C@H]1CC(OCCOCCS(=O)(=O)Cl)C[C@@H]1OC	2110100746	OGGDYHXGHIXKEF-QWRGUYRKSA-N	316.803	0.781	70	10	DCIE	
O=C(Nc1nc2c(s1)C(=O)NCCC2)c1cc(O)[nH]c(=O)c1	218512936	UEAUUSDBEUWECR-UHFFFAOYSA-N	320.330	0.465	70	10	DCIE	
O=c1[nH]c(=O)n(CCc2ccncc2)cc1S(=O)(=O)Cl	215931280	HXNIYARCRMVVKF-UHFFFAOYSA-N	315.738	0.102	70	10	DCIE	
CCc1nn(CC(=O)NCC#N)c(CC)c1S(=O)(=O)Cl	215911601	KKUFPPSTSNLCHI-UHFFFAOYSA-N	318.786	0.575	70	10	DCIE	
CC(C)n1cc(S(=O)(=O)NCCCN(C)C)cc1CN	217484783	KZKUROPMXVMNCF-UHFFFAOYSA-N	302.444	0.758	70	10	DCIE	
COC[C@@H](N)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1	159445814	NOQUSTBOIDNBBD-GFCCVEGCSA-N	313.379	0.040	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1ccc(C(N)=S)c(F)c1	159789819	VOKFBNRDYWPGRY-GFCCVEGCSA-N	311.382	0.801	70	10	DCIE	
CN1C[C@H](Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)CC1=O	687225266	MCWYZILQQCUBEO-ZCFIWIBFSA-N	322.730	0.197	70	10	DCIE	
COc1ccncc1S(=O)(=O)N1CC(CS(=O)(=O)F)C1	2199686626	QIQYKTFELWAMEU-UHFFFAOYSA-N	324.355	0.010	70	10	DCIE	
O=S1(=O)C[C@H]2CCN(c3ncc(F)cc3[B-](F)(F)F)[C@@H]2C1	2188590810	REGJQCUUPHBLBX-GMSGAONNSA-N	323.100	0.898	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2C[C@@H]3COC[C@H]32)cc1	2186344199	DMXZLJUAKMEWGD-LDYMZIIASA-N	321.351	0.364	70	10	DCIE	
O=C([C@H](O)Cc1ccccc1)N1CC(CS(=O)(=O)F)C1	2205349942	MGXAMKYHXAMBSY-GFCCVEGCSA-N	301.339	0.348	70	10	DCIE	
O=S(=O)(Cl)CCCCN1C[C@H]2CS(=O)(=O)[C@H]2C1	2299799673	SFEXYDGXKGSXHM-IUCAKERBSA-N	301.817	0.064	70	10	DCIE	
C[C@H](c1ccccc1)N1C[C@@H](NC(=O)N2CCNCC2)CC1=O	217283454	DWXBGNLCMOSLEL-HIFRSBDPSA-N	316.405	0.963	70	10	DCIE	
CO[C@H]1[C@@H](CF)N(c2ncc([B-](F)(F)F)cn2)C[C@H]1OC	2366546297	OMXCAWQHBBPMJN-BBBLOLIVSA-N	308.064	0.719	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]2CO3)c1	718305833	AHFGWDTWAZFYIX-IUCAKERBSA-N	321.351	0.507	70	10	DCIE	
C[C@@H](Cn1cnc(S(=O)(=O)Cl)c1)CS(C)(=O)=O	689698472	RQCUSCOPXCIHRT-ZETCQYMHSA-N	300.789	0.491	70	10	DCIE	
O=C(c1coc(C(F)(F)F)n1)N1CC(S(=O)(=O)F)C1	2134978836	KFUKCKNSZYMFAO-UHFFFAOYSA-N	302.205	0.817	70	10	DCIE	
CC[C@@H]1CC[C@H](NC)[C@@H](N2CCN(S(C)(=O)=O)CC2)C1	217962392	FEMSZYYBKBVRCY-RDBSUJKOSA-N	303.472	0.730	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1N	218119822	FWZGHGQVVKLNBS-UHFFFAOYSA-N	305.787	0.679	70	10	DCIE	
CCn1ncnc1COC(=O)c1cc(S(=O)(=O)F)c[nH]1	1525807330	PVJPHGWDJKQJRI-UHFFFAOYSA-N	302.287	0.641	70	10	DCIE	
Cc1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)nc(O)n1	1527075496	ROGOQKQQZKLTGF-UHFFFAOYSA-N	300.271	0.729	70	10	DCIE	
C=CCCN(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1663276325	HBPPOUYUFAPPBH-UHFFFAOYSA-N	303.359	0.911	70	10	DCIE	
C[C@@H]1CC[C@H](C(N)=O)CN1CCN1C(=O)NC2(CCCC2)C1=O	160532985	XIHHCNIWMORWJO-NEPJUHHUSA-N	322.409	0.437	70	10	DCIE	
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CS(=O)(=O)C(C)(C)C	160912890	RCCMBUMGIXPDRQ-ZJUUUORDSA-N	304.412	0.312	70	10	DCIE	
COc1cc(N)ccc1S(=O)(=O)NCC(=O)NC(C)(C)C	159848891	RLICNZLQGXAXIE-UHFFFAOYSA-N	315.395	0.470	70	10	DCIE	
CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@@H]1C(=O)NC	159715324	KEPIVNCWMODPOL-GHMZBOCLSA-N	320.397	0.595	70	10	DCIE	
Cc1cc(N)ccc1S(=O)(=O)NCCNC(=O)N(C)C	160691091	OIHRSULMXZRHNZ-UHFFFAOYSA-N	300.384	0.127	70	10	DCIE	
CN1CCO[C@H]2CCN(c3ncc([B-](F)(F)F)cn3)C[C@H]21	2185496353	JQMGMMUPMIZQFO-MNOVXSKESA-N	301.101	0.440	70	10	DCIE	
CC(C)CNS(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2078990829	PBHWXLDGLUQKPE-UHFFFAOYSA-N	302.393	0.098	70	10	DCIE	
C[C@@H]1CO[C@@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1	2110069895	LDUQJIRGYREGSM-NKWVEPMBSA-N	308.743	0.301	70	10	DCIE	
O=S(=O)(Cl)c1nnc(CCn2ccnn2)n1C1CC1	2090394897	XQJDUSOEFDCSPH-UHFFFAOYSA-N	302.747	0.375	70	10	DCIE	
COc1ccccc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287072838	OEOQYULKSXQHKY-SECBINFHSA-N	302.327	0.714	70	10	DCIE	
Cc1cc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)nc(Cl)n1	2287080995	XSGZVIZCXDOVJJ-SSDOTTSWSA-N	322.749	0.457	70	10	DCIE	
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NCCNC(N)=O	160865841	YDKHLYSCQRLFPS-WDEREUQCSA-N	300.403	0.938	70	10	DCIE	
O=C(NNC(=O)c1cn[nH]c1)c1ccc(S(=O)(=O)F)cc1	1530259661	OHNKFDBYASNZAA-UHFFFAOYSA-N	312.282	0.143	70	10	DCIE	
Cc1cc(F)c(N)cc1S(=O)(=O)NCCNC(=O)N(C)C	160698029	KLSULWUUJBOHQJ-UHFFFAOYSA-N	318.374	0.266	70	10	DCIE	
COCCc1c(C(=O)OC)nnn1CCOCC(F)(F)F	159829660	BESPLDAIOTXCJH-UHFFFAOYSA-N	311.260	0.833	70	10	DCIE	
Cc1ccncc1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974402003	IWNJBVLAEGESOV-UHFFFAOYSA-N	301.343	0.799	70	10	DCIE	
CC(C)(C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)S(C)(=O)=O	160433425	BXHDPULTPRGQPB-BXUZGUMPSA-N	303.424	0.963	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CCO[C@@H]3COC[C@H]32)n1	2192637397	PEYBNRIKNSEHOD-NXEZZACHSA-N	302.085	0.752	70	10	DCIE	
O=C(Nc1ccc(S(=O)(=O)F)nc1)[C@H]1[C@H]2COCC[C@H]21	2166521329	IMMSERDGOOHJDV-WCABBAIRSA-N	300.311	0.961	70	10	DCIE	
CCN1CCC[C@@H]1CNS(=O)(=O)c1csc(CN)c1	217518410	UGCRSGBINCVGOB-SNVBAGLBSA-N	303.453	0.969	70	10	DCIE	
Cn1cc(C(=O)N[C@H]2CCC(=O)NC2=O)c(-c2cccs2)n1	160887605	JZXBVYGTWDYWFI-VIFPVBQESA-N	318.358	0.684	70	10	DCIE	
CN(C)CCn1ncc(N[C@H]2CCC[C@@H]2CN)c(Cl)c1=O	159638035	HIMOFKGQIXIYHY-MNOVXSKESA-N	313.833	0.998	70	10	DCIE	
CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)N(C)C(C)C)CC2	159368514	GXHNEVYSHIILLD-NSHDSACASA-N	315.443	0.891	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2COC[C@@H]2F)c1S(=O)(=O)Cl	1875999986	NGGMIWBTXQYUID-NTSWFWBYSA-N	311.722	0.112	70	10	DCIE	
C[C@@H]1O[C@H](C)C[C@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394744	OKKPADOAQYMGSE-WCABBAIRSA-N	308.375	0.595	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@H](C)C(=O)N(C)C)cc1N	159589583	FFIQIRJNLQFMAB-MRVPVSSYSA-N	300.384	0.066	70	10	DCIE	
O=C1C[C@H](COc2ccc(S(=O)(=O)Cl)cc2C(=O)O)N1	2149191318	ZMIHLMSSSPBUNQ-ZCFIWIBFSA-N	319.722	0.580	70	10	DCIE	
CS(=O)(=O)C[C@H]1CCCCN1c1ncc([B-](F)(F)F)cn1	2172772664	QJPNMHHSOPZJKX-SNVBAGLBSA-N	322.141	0.935	70	10	DCIE	
C[C@](O)(CO)CNC(=O)/C=C\c1ccc(Br)o1	218159950	IQERAYKEJQSBSZ-USEMIUTHSA-N	304.140	0.915	70	10	DCIE	
O=c1cc[nH]c(-c2nnc(S(=O)(=O)Cl)n2C2CC2)c1	2269651955	QTHHUTRSNJQINF-UHFFFAOYSA-N	300.727	0.896	70	10	DCIE	
C#CCCNS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1	112095777	IHGBPOPHBFOALO-UHFFFAOYSA-N	307.780	0.916	70	10	DCIE	
COC(=O)C1=CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1131198653	ARYIHQVMABIYAV-QMMMGPOBSA-N	316.310	0.665	70	10	DCIE	
O=S1(=O)CC[C@@H]2CN(c3ncccc3[B-](F)(F)F)C[C@H]21	2116146182	UCNGYQMCHZFWJD-PSASIEDQSA-N	305.110	0.759	70	10	DCIE	
COC[C@H]1C[C@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2117728689	QVXBSCSVUSZZHG-RNFRBKRXSA-N	307.759	0.410	70	10	DCIE	
O=C(OC[C@H]1COCCO1)c1cccc(S(=O)(=O)F)c1	1339914742	PODZZRDUYXGAID-SNVBAGLBSA-N	304.295	0.917	70	10	DCIE	
C[C@H](CC(N)=O)NC(=O)CCc1ccc(S(=O)(=O)F)cc1	1436279178	GNWFAQWPJASUAM-SECBINFHSA-N	316.354	0.658	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)C[C@@H]2CC[C@@H](F)C2)C1	2134975026	NCCGCJWHQWLCGX-PSASIEDQSA-N	317.379	0.686	70	10	DCIE	
Cc1nc(Cl)nc(C)c1C(=O)N1CC(S(=O)(=O)F)C1	2134970943	HPFYYUQECRNXLN-UHFFFAOYSA-N	307.734	0.871	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1cc(F)ccc1N	161014163	BKINYJCQBRBVNJ-UHFFFAOYSA-N	318.370	0.570	70	10	DCIE	
CCNC(=O)N1CC[C@H](NC(=O)N(C)CC2CCOCC2)C1	160005003	HJAJKLILXJQZHI-ZDUSSCGKSA-N	312.414	0.858	70	10	DCIE	
Cn1cnc2cc(C(=O)N[C@@H]3CCC[C@H](C(N)=O)C3)cnc21	160576106	ZTRYXNWHPWSLST-GXSJLCMTSA-N	301.350	0.742	70	10	DCIE	
Cc1cccc(NC[C@@H]2CCN(CCN3C(=O)CNC3=O)C2)n1	160912352	DSKCGFSNAUTFBO-ZDUSSCGKSA-N	317.393	0.676	70	10	DCIE	
CCCn1c([C@@H](C)S(C)(=O)=O)nnc1S(=O)(=O)Cl	168027639	LSICDOAHWCODAJ-ZCFIWIBFSA-N	315.804	0.721	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1c1ccc(C(N)=S)cn1	159804060	SANKKGXGWVMVHY-NSHDSACASA-N	308.407	0.447	70	10	DCIE	
COCCN1CCN([C@H](C(=O)OC)c2cccnc2)C[C@H]1C	159919649	ULNVFDURVJYRKE-HIFRSBDPSA-N	307.394	0.948	70	10	DCIE	
C[C@H](CCCN1CC(S(C)(=O)=O)C1)S(=O)(=O)Cl	1949709040	YCMYIAVOFYABFQ-MRVPVSSYSA-N	303.833	0.453	70	10	DCIE	
CC(C)(CO)CNS(=O)(=O)c1ccc(CNC2CC2)o1	160457567	MWRFEASLPKFXDA-UHFFFAOYSA-N	302.396	0.828	70	10	DCIE	
O=S(=O)(Cl)CCCN1CCC2(CC1)CS(=O)(=O)C2	2032955777	FFDNVSGQWAUGHJ-UHFFFAOYSA-N	315.844	0.456	70	10	DCIE	
O=S1(=O)CC[C@]2(CCCN2c2ncc([B-](F)(F)F)cn2)C1	2172786036	OVRSDQUQDGUUJL-LLVKDONJSA-N	320.125	0.689	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccc(Cl)cc1O	2268794692	FBMFRWRITSSRNN-UHFFFAOYSA-N	308.718	0.674	70	10	DCIE	
COC[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2287071407	TYIGEQKRNQGXMB-VWYCJHECSA-N	308.375	0.454	70	10	DCIE	
O=C(N1CC[C@H](S(=O)(=O)F)C1)[C@]1(O)C[C@@H]1C(F)(F)F	2344049533	WXFCZHNAOLBHKE-HAFWLYHUSA-N	305.249	0.200	70	10	DCIE	
Cc1nc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[nH]c1C	1294518514	CCIXZIGSTHBHKJ-UHFFFAOYSA-N	300.315	0.943	70	10	DCIE	
Cc1cc(N)nc(CN2C(=O)N[C@](C)(C(F)(F)F)C2=O)n1	159881291	MIYKWDWFXOARRI-JTQLQIEISA-N	303.244	0.740	70	10	DCIE	
O=C(NC1CC1)[C@@H]1COCCN1C(=O)c1cnccc1Cl	159517350	BKQWSXNVGBFHFC-LBPRGKRZSA-N	309.753	0.855	70	10	DCIE	
CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2NCCc3ccccc32)C1	159397554	WLSHGOZWBAERJD-JSGCOSHPSA-N	323.418	0.024	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@H](C)Cn2cccn2)cc1N	159588856	NMZDCOADGRCFNJ-SNVBAGLBSA-N	309.395	0.874	70	10	DCIE	
CO[C@@H](C(=O)NC1CCN(S(=O)(=O)F)CC1)C1CCC1	1974394643	MOCWOVHJSCPOBZ-LLVKDONJSA-N	308.375	0.596	70	10	DCIE	
CN1CCC[C@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1	691589731	GBHKMUQMDSTKMH-QMMMGPOBSA-N	321.786	0.218	70	10	DCIE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)C(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2174640375	GERVRYUMISWHGK-OWUUHHOZSA-N	318.782	0.907	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@H](C)C(=O)N1CCC1	2182343973	MPQRPVLRSCRBCM-MRVPVSSYSA-N	321.786	0.750	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@]23CCOC[C@@H]2C3)c1S(=O)(=O)Cl	2194418609	BHMOHRMLFRTKME-WRWORJQWSA-N	319.770	0.554	70	10	DCIE	
CO[C@@H]1CC[C@H]1CC(=O)Nc1nn(C)cc1S(=O)(=O)F	2186902993	KQNTWVABMSFULG-JGVFFNPUSA-N	305.331	0.832	70	10	DCIE	
CN(C1CCC1)S(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2089200304	LXBSPZCMJRFTCQ-UHFFFAOYSA-N	314.404	0.479	70	10	DCIE	
O=C(c1cnnc(Cl)c1)N1CCN(S(=O)(=O)F)CC1	2273877710	JVKSXWRPMUGVKP-UHFFFAOYSA-N	308.722	0.102	70	10	DCIE	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC(=O)N1S(=O)(=O)Cl	1953616035	UXBLCGZIOZXRFG-NKWVEPMBSA-N	312.775	0.984	70	10	DCIE	
CC[C@H](C)[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)C(N)=O	1133518074	CAZLUELHMVMVNZ-KWQFWETISA-N	316.354	0.975	70	10	DCIE	
CS(=O)(=O)N1CCC[C@H](C2(S(=O)(=O)Cl)CC2)C1	689688689	RSMZDLZWARXBJG-QMMMGPOBSA-N	301.817	0.759	70	10	DCIE	
CS(=O)(=O)[C@H]1CCCN(c2ncc([B-](F)(F)F)cn2)C1	2116151046	YZHCIAGZFDAMJX-VIFPVBQESA-N	308.114	0.544	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1C[C@H]1OC	2131647953	QRJMAIRBIPCLEL-PSASIEDQSA-N	306.771	0.953	70	10	DCIE	
CC(C)COC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1544870489	MURXLOHJJQPBHP-QMMMGPOBSA-N	320.342	0.990	70	10	DCIE	
NC(=O)[C@@H]1CCCN(C(=O)Cn2nc(C3CC3)nc2C2CC2)C1	161479336	GPPKJFOIDKIBDA-GFCCVEGCSA-N	317.393	0.757	70	10	DCIE	
CNS(=O)(=O)c1ccc(NC[C@]2(OC)CCOC2)cc1N	159976850	NXMXXRIVYAVRGG-CYBMUJFWSA-N	315.395	0.394	70	10	DCIE	
CCOC(=O)C(=O)[C@]1(CCS(=O)(=O)F)CCCCC1=O	883954182	CKSRSQGUKDFIEM-LBPRGKRZSA-N	308.327	0.938	70	10	DCIE	
C#C[C@H](C)CNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	1878657782	LNSBCQVQWCFTSF-VIFPVBQESA-N	305.352	0.892	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NCCC(=O)N(C)C)c1F	159491260	VMLYSYKAZIUZFZ-UHFFFAOYSA-N	303.359	0.473	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@H]2C[C@@H]2OC)c1S(=O)(=O)Cl	2188223416	LQBGUNFKXJMKDZ-SVRRBLITSA-N	321.786	0.664	70	10	DCIE	
CC(C)c1conc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287075529	DJDPWLHSXHEXKR-QMMMGPOBSA-N	305.331	0.816	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C1CC2(C1)CC21CC1	2287065374	LUXGLCPLHDTMPN-RUETXSTFSA-N	302.371	0.972	70	10	DCIE	
Cc1cccc(CC(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1	2287069701	BYYYWLPLSQWWFB-GFCCVEGCSA-N	300.355	0.942	70	10	DCIE	
CCn1c(-c2nnn3c2CCC3)nnc1S(=O)(=O)Cl	2338637183	FEJIODLCITWEQC-UHFFFAOYSA-N	302.747	0.430	70	10	DCIE	
Cn1cc(C[S@](=O)Cc2ccc(S(=O)(=O)F)cc2)nn1	857213120	GLPSBGXWYROZCB-LJQANCHMSA-N	317.367	0.922	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CCNC1=O	2128746170	LEGXZXFGWDZZNX-QMMMGPOBSA-N	305.787	0.899	70	10	DCIE	
CC[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1Cl)C(N)=O	1523332942	HOUGHYSRNCYLDR-SECBINFHSA-N	322.745	0.992	70	10	DCIE	
NCc1c(F)cccc1S(=O)(=O)NCCNC(=O)C1CC1	160724875	DETBBVJRAJFHQB-UHFFFAOYSA-N	315.370	0.089	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H](C)[C@H]2CCOC2)c1S(=O)(=O)Cl	167000233	XIJDTQCQKHZLQT-XPUUQOCRSA-N	321.786	0.800	70	10	DCIE	
CC[C@](C)(C(=O)N1CCOC[C@@H]1C(=O)NC(C)C)C(N)=S	159783783	VPCHLBTVHPDRLH-YGRLFVJLSA-N	315.439	0.441	70	10	DCIE	
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](S(=O)(=O)F)C1	1885428309	KHYFOTZKANOPAK-SECBINFHSA-N	324.374	0.801	70	10	DCIE	
CC(=O)N[C@H](CC(C)C)C(=O)N1CC(CS(=O)(=O)F)C1	1968227725	RABXBFGLRJZGRN-LLVKDONJSA-N	308.375	0.295	70	10	DCIE	
O=C(c1cnnn1C1CC1)N1CCC[C@@H](S(=O)(=O)F)C1	1968235280	KAOMKAFCBOMWIB-SECBINFHSA-N	302.331	0.517	70	10	DCIE	
CN(CC[C@@H](O)c1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1	161357379	IEGWSWRPWJTBHU-DGCLKSJQSA-N	302.371	0.763	70	10	DCIE	
O=S(=O)(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCC[C@H]1F	2271516247	MQYDWOJMKUPBPL-IWSPIJDZSA-N	318.367	0.085	70	10	DCIE	
CN1CCN(CCOCC(C)(C)CS(=O)(=O)Cl)CC1	2266735990	LVGDGGROUHSXTL-UHFFFAOYSA-N	312.863	0.845	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@@H](C(F)(F)F)C1	2284149578	DOBZAIGKGCOZBY-RNFRBKRXSA-N	318.292	0.980	70	10	DCIE	
CCc1ccccc1S(=O)(=O)NC1CN(S(=O)(=O)F)C1	2284128887	HLFNIZROFGBRRT-UHFFFAOYSA-N	322.383	0.426	70	10	DCIE	
Cc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cc1	2287086230	VZJLQDHVQJRNFT-JTQLQIEISA-N	322.383	0.562	70	10	DCIE	
COc1ccccc1/C=C/NC(=O)N1CCN(CCO)CC1	217722842	XSHKGRYEXMLFKM-VOTSOKGWSA-N	305.378	0.985	70	10	DCIE	
COCCn1c([C@@H]2OCC[C@H]2C)nnc1S(=O)(=O)Cl	133332396	YIUGBTGRGYKJBM-HTQZYQBOSA-N	309.775	0.950	70	10	DCIE	
CC(C)(C)OC(=O)N1CCS(=O)(=NS(=O)(=O)F)CC1	1953572185	AOKBTEMUZXEQIU-UHFFFAOYSA-N	316.376	0.919	70	10	DCIE	
C[C@H]1CCC[C@@H]1S(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2118899142	WXOPXCUOOMXTOH-WPRPVWTQSA-N	314.404	0.241	70	10	DCIE	
CO[C@H]1CCN(C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)[C@@H]1C	1914364057	KZJQBKXMHUOLQY-SFYZADRCSA-N	321.786	0.895	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1CC[C@H]2C[C@H]21	2134644995	PHCBODQJTOPAFO-BIIVOSGPSA-N	304.755	0.923	70	10	DCIE	
COc1nc(OCCO[C@H]2CCOC2)ncc1[B-](F)(F)F	2172636170	RQCFLRNDKWKRDO-QMMMGPOBSA-N	307.057	0.724	70	10	DCIE	
CC(C)(C)CCS(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2108153765	KZDLORXZWBTAKA-UHFFFAOYSA-N	316.420	0.488	70	10	DCIE	
CCCn1c(-c2nnn(C)c2C)nnc1S(=O)(=O)Cl	2088348188	XUEOFLNCWHHBDM-UHFFFAOYSA-N	304.763	0.720	70	10	DCIE	
CCC12COC(C(=O)N[C@@H]3CCN(S(=O)(=O)F)C3)(C1)C2	2287078495	HZBALPACXSYQFI-OIKLOGQESA-N	306.359	0.350	70	10	DCIE	
C[C@@H](CS(C)(=O)=O)N(C)CCCCS(=O)(=O)Cl	708458018	RVGYGCAPCBQGOK-VIFPVBQESA-N	305.849	0.700	70	10	DCIE	
O=C(OC1COC1)[C@@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1	123188551	BOKANRDNBXKOAJ-NSHDSACASA-N	318.734	0.860	70	10	DCIE	
CN[C@H](c1c(Cl)cnn1CCOC)[C@@H]1CN(C)CCN1C	161201149	CVKGIJLZIPXMNC-STQMWFEESA-N	315.849	0.689	70	10	DCIE	
COc1cccc(CS(=O)(=O)NC[C@@](C)(O)CN(C)C)c1	161457244	ZAZUBFJJXPVHSJ-CQSZACIVSA-N	316.423	0.427	70	10	DCIE	
CC1(C)[C@@H]2OCC[C@H]2[C@]1(N)C(=O)Nc1sccc1C(N)=O	160359270	INOCXVGVDATDJA-NUPCCRGMSA-N	309.391	0.928	70	10	DCIE	
CC(=O)c1cccc(S(=O)(=O)N(C)CCS(=O)(=O)F)c1	883953558	AAHQJMXHVFBSRQ-UHFFFAOYSA-N	323.367	0.809	70	10	DCIE	
COc1ccc(CC(=O)N2CC(S(=O)(=O)F)C2)cc1F	1968215632	JWRBXBDQCOBSIH-UHFFFAOYSA-N	305.302	0.887	70	10	DCIE	
CCO[C@]1(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)CCOC1	1968235483	LSXVUQBQJBEMGS-CMPLNLGQSA-N	309.359	0.472	70	10	DCIE	
Nc1c(F)cccc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974059099	JKRGTZIYBCVKRJ-UHFFFAOYSA-N	305.306	0.284	70	10	DCIE	
NC[C@@H]1CCCC[C@@H]1Nc1cnn(CCO)c(=O)c1Cl	159663699	JSOBJDPWDAVATL-UWVGGRQHSA-N	300.790	0.818	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@H](C)CS(C)(=O)=O)cc1N	159635924	DTUHEGKTDAPGIM-MRVPVSSYSA-N	321.424	0.022	70	10	DCIE	
CCCCOCCCNC(=O)C[C@H]1CS(=O)(=O)CCN1	160316744	UTLNIWLPDTZJBJ-LBPRGKRZSA-N	306.428	0.086	70	10	DCIE	
CC(C)S(=O)(=O)NC1CN(c2ccncc2[B-](F)(F)F)C1	2172785356	KHJCLANJNWFUQY-UHFFFAOYSA-N	322.141	0.652	70	10	DCIE	
COC(=O)CS(=O)(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2073781539	NBJPVIDJGWRLEY-CBAPKCEASA-N	300.087	0.803	70	10	DCIE	
COC(=O)NS(=O)(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2073787206	NXXVAZHKZVTUHL-POYBYMJQSA-N	301.075	0.901	70	10	DCIE	
CSc1nc(O)nc(C)c1C(=O)N1CC(S(=O)(=O)F)C1	2199697428	ZTIOXLJORYOOSA-UHFFFAOYSA-N	321.355	0.336	70	10	DCIE	
CC(C)c1ocnc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287079005	KGCFBMTVPKCTKX-MRVPVSSYSA-N	305.331	0.816	70	10	DCIE	
CS(=O)(=O)c1cccc(OC(=O)NS(=O)(=O)Cl)c1	161840531	GSVHEZQUEKMJFU-UHFFFAOYSA-N	313.740	0.662	70	10	DCIE	
CCOC(=O)c1cnn(-c2nncn2C)c1S(=O)(=O)Cl	691411641	NOUSVPSTZOTTAQ-UHFFFAOYSA-N	319.730	0.105	70	10	DCIE	
CCCNC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1627299580	ACUJPFJATDGEFO-SSDOTTSWSA-N	305.331	0.317	70	10	DCIE	
C[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1720191127	CAFWMJKBEWJCIP-VXNVDRBHSA-N	317.342	0.175	70	10	DCIE	
COC[C@H](O)CCNC(=O)c1cnc(-c2cnn(C)c2)s1	161296918	QSGWPOKCDVJYLA-SNVBAGLBSA-N	310.379	0.671	70	10	DCIE	
CCCC[C@@H](NC(N)=O)C(=O)NC[C@H](O)CN1CCCCC1	160049393	WHRNFQHKZPPFRV-QWHCGFSZSA-N	314.430	0.177	70	10	DCIE	
C[C@]1(C(=O)Nc2cc(S(C)(=O)=O)ccc2O)COC[C@H]1N	160318809	PZVBYHYKNYSRAW-YPMHNXCESA-N	314.363	0.098	70	10	DCIE	
CNC(=O)C(C)(C)CNC(=O)c1cc(Cn2cc(C)cn2)on1	160824926	VYAGXJLWEOTVIV-UHFFFAOYSA-N	319.365	0.730	70	10	DCIE	
CCOC(=O)CN(C)C(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1	160832136	JEVKPICXZQNENE-CJNGLKHVSA-N	312.410	0.635	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2c[nH]cn2)c1	160327816	GNIIJIHFDNDLRN-UHFFFAOYSA-N	317.348	0.320	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CSCN2)c1	160303825	CQLRBPMGGYDTPI-VIFPVBQESA-N	302.377	0.397	70	10	DCIE	
Cc1nn(CCCN)c(C)c1S(=O)(=O)NC[C@H]1C[C@@H]1C	160802343	NVYAOKOMNRVIBK-JOYOIKCWSA-N	300.428	0.783	70	10	DCIE	
Cc1ncnc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)c1[B-](F)(F)F	2172766013	ZUNJOGXRMAWOAY-BDAKNGLRSA-N	320.125	0.463	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@H]2C[C@H](N(C)C)C2)c1S(=O)(=O)Cl	2183825442	SDZPGFALUQXMMS-ZKCHVHJHSA-N	321.786	0.895	70	10	DCIE	
Cc1oc(C(=O)OCCn2cncn2)cc1S(=O)(=O)Cl	2184419176	ZYJIBKOKWZYIPG-UHFFFAOYSA-N	319.726	0.964	70	10	DCIE	
O=C(c1nnc(Cl)s1)N1CCN(S(=O)(=O)F)CC1	2062522124	DACGCTBMLULJGY-UHFFFAOYSA-N	314.751	0.164	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCCC1(F)F	2271492771	PDDUQSYDHXWVSV-YUMQZZPRSA-N	300.302	0.827	70	10	DCIE	
O=C(NCC1(n2cccn2)CC1)c1cc(S(=O)(=O)F)c[nH]1	1347478099	SSABVBHVQWPTID-UHFFFAOYSA-N	312.326	0.789	70	10	DCIE	
O=C(Nc1ccc(S(=O)(=O)F)nc1)[C@@H]1[C@H]2CCOC[C@H]21	2166521328	IMMSERDGOOHJDV-IQJOONFLSA-N	300.311	0.961	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CC(CS(C)(=O)=O)C2)n1	2116131213	UNISRPVSIGFYKK-UHFFFAOYSA-N	308.114	0.320	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CCNC1=O	2128750000	XWVIGPZYHMLPPC-SSDOTTSWSA-N	307.759	0.093	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)CC(F)F)n1	1923153040	NMSOHKWOWFIJAR-UHFFFAOYSA-N	307.275	0.085	70	10	DCIE	
CC[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC#N	1714105443	AATSVQCMOPMFJL-QMMMGPOBSA-N	302.331	0.294	70	10	DCIE	
Cc1cc(N)cc(C)c1S(=O)(=O)NCCNC(=O)C1CC1	160644391	WXTJSJYYUDFIAL-UHFFFAOYSA-N	311.407	0.690	70	10	DCIE	
CN(C[C@H]1CNCCO1)c1c(Cl)cnn(CC2CC2)c1=O	159852712	WJAHYJZCHXEVPH-LLVKDONJSA-N	312.801	0.731	70	10	DCIE	
CN(Cc1ccccc1)S(=O)(=O)N1CC(S(=O)(=O)F)C1	1883850556	JGKZUGRYPIPXIF-UHFFFAOYSA-N	322.383	0.347	70	10	DCIE	
CC(C)[C@@H](N)CCN(C)c1cnn(CCO)c(=O)c1Cl	159969721	KTFFMAMKRNGJQW-JTQLQIEISA-N	302.806	0.699	70	10	DCIE	
CC(C)Cn1c([C@@H]2COCCN2C)nnc1S(=O)(=O)Cl	2155748226	HOUSKMHMXICNJD-VIFPVBQESA-N	322.818	0.865	70	10	DCIE	
Cc1ncnc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)c1[B-](F)(F)F	2172767879	ZRUUPIVDQLJWHW-IUCAKERBSA-N	320.125	0.463	70	10	DCIE	
COCCn1c(C2(C)CCOCC2)nnc1S(=O)(=O)Cl	2173993711	FLNUNYWEMJIQTB-UHFFFAOYSA-N	323.802	0.920	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CCO[C@H]3COC[C@@H]32)n1	2192637398	PEYBNRIKNSEHOD-UWVGGRQHSA-N	302.085	0.752	70	10	DCIE	
Cc1[nH]nc(C(=O)OC[C@H]2CCCN2C)c1S(=O)(=O)Cl	2237351710	IGVCOCOGEDEAOW-MRVPVSSYSA-N	321.786	0.897	70	10	DCIE	
Cn1cc(C(C)(C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)nn1	1276999038	BRDFNXZDUPOCLN-UHFFFAOYSA-N	315.330	0.467	70	10	DCIE	
O=C1CN(C(=O)c2ccc(S(=O)(=O)Cl)cc2)CCN1	585671390	MAXAJKAMOUJKGO-UHFFFAOYSA-N	302.739	0.186	70	10	DCIE	
CCN(CCCCS(=O)(=O)Cl)[C@@H]1CCS(=O)(=O)C1	689011532	NQWQIBAGHWKATP-SNVBAGLBSA-N	317.860	0.844	70	10	DCIE	
CS(=O)(=O)[C@@H]1CCCN(c2ncc([B-](F)(F)F)cn2)C1	2116151045	YZHCIAGZFDAMJX-SECBINFHSA-N	308.114	0.544	70	10	DCIE	
C[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1Cl)C(N)=O	1515245980	BVNSXPWGMKGMKP-YFKPBYRVSA-N	308.718	0.602	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCc2n[nH]cc2C1	1521709432	ZWMDOWPORHUODM-UHFFFAOYSA-N	312.326	0.985	70	10	DCIE	
NC(=S)c1ncccc1CN1CC[C@H]2NC(=O)CC[C@@H]2C1	160302136	IACAOYNOEJIRBF-ZYHUDNBSSA-N	304.419	0.816	70	10	DCIE	
COc1cc(N)cc(-c2nnnn2[C@@H](C)CS(C)(=O)=O)c1	159869118	LHDMMBMSFXYGBD-QMMMGPOBSA-N	311.367	0.537	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@](C)(F)C(C)(C)F)[nH]1	2169001350	GFPRGNNAQGXCJB-JTQLQIEISA-N	313.301	0.915	70	10	DCIE	
CO[C@@H](C)CCS(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2046886140	NQMNOAJPZKXRCA-IUCAKERBSA-N	303.377	0.115	70	10	DCIE	
CO[C@H]1CS(=O)(=O)C[C@@H]1Oc1ccc(S(=O)(=O)F)cc1	2191430432	CFLJHQADRFFCDE-QWRGUYRKSA-N	324.351	0.536	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@H]2C2CCC2)[nH]1	2199944333	ZKXZEVXAXBXQIY-DTWKUNHWSA-N	301.343	0.875	70	10	DCIE	
C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2088470159	VBKIQJUSMDDSAH-NXEZZACHSA-N	314.404	0.479	70	10	DCIE	
COCC12CCC(c3nc(S(=O)(=O)Cl)n[nH]3)(CC1)CO2	2237682581	NERPMJJTSHCVAG-UHFFFAOYSA-N	321.786	0.959	70	10	DCIE	
C[C@@H](CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)P(C)(C)=O	2271503490	SBCOMHWVIQZWGF-DTWKUNHWSA-N	314.319	0.793	70	10	DCIE	
COc1cccc(CCNC(=O)N2CCN(CCN)CC2)c1	217422451	XGAKGAMNCZLLPS-UHFFFAOYSA-N	306.410	0.524	70	10	DCIE	
CS(=O)(=O)CCN1CCOC[C@@H]1C[C@H](O)c1ccco1	159586455	SXXLJNSULOVAHD-RYUDHWBXSA-N	303.380	0.449	70	10	DCIE	
COCCn1c(C[C@H]2CCCO2)nnc1S(=O)(=O)Cl	133329255	ZPOJAKCOIVWQMI-MRVPVSSYSA-N	309.775	0.574	70	10	DCIE	
O=C([C@@H]1CC[C@H]2C[C@H]1CO2)N1CCN(S(=O)(=O)F)CC1	2163654854	JNKITDPKYRCGHZ-GARJFASQSA-N	306.359	0.160	70	10	DCIE	
COCCN(CCNCc1cnnn1C)C(=O)OC(C)(C)C	218137122	WFMJZBJJMOIRRH-UHFFFAOYSA-N	313.402	0.788	70	10	DCIE	
CCOc1c(F)cccc1C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1	161297634	XIXHSTRUUYHJLP-SKDRFNHKSA-N	310.325	0.987	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)c1sc(N)nc1C	159604254	VOZLHNUHHAEMDF-SECBINFHSA-N	312.395	0.401	70	10	DCIE	
CCCN(CCN(C)C)c1ccc(S(=O)(=O)NC)c(N)c1	159611404	FFZAQVBMEIAULK-UHFFFAOYSA-N	314.455	0.955	70	10	DCIE	
Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](S(=O)(=O)F)C1	1968228340	XBJGVZRKNPRUGT-JTQLQIEISA-N	303.359	0.941	70	10	DCIE	
Cc1cc(C)n(CC(=O)N2CCC(S(=O)(=O)F)CC2)n1	1972664655	NKECYLXGUUMGQO-UHFFFAOYSA-N	303.359	0.790	70	10	DCIE	
O=C(C[C@H]1CN2CCC1CC2)N1CC[C@@H](S(=O)(=O)F)C1	2151301541	VGNUXKMTZUFUFW-NWDGAFQWSA-N	304.387	0.619	70	10	DCIE	
CC1(O)CCN(S(=O)(=O)c2cccc(F)c2CN)CC1	160532593	INQOCTGETAGTPT-UHFFFAOYSA-N	302.371	0.820	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC[C@@H]1COCCO1	2182342855	JAZDCAKJXUDTQO-SECBINFHSA-N	324.786	0.763	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)[C@@H]2CC2(F)F)C1	2049737854	AXTNROJIIDCNCW-NKWVEPMBSA-N	307.315	0.488	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)CC1(F)COCCOC1	2067048417	KWPOPTCBYAFWNT-UHFFFAOYSA-N	303.783	0.632	70	10	DCIE	
CCS(=O)(=O)CCn1cc(S(=O)(=O)Cl)nc1C	127564808	JEJWFCONWNVAOS-UHFFFAOYSA-N	300.789	0.554	70	10	DCIE	
CC1(C)CN(c2ncc([B-](F)(F)F)cn2)CCS1(=O)=O	2116149022	XVQOGVJCOPERIW-UHFFFAOYSA-N	308.114	0.544	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1Cc1nc[nH]n1	2125953299	HXRWLBMQVRYHIZ-UHFFFAOYSA-N	305.747	0.514	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)[C@H]2CCCC[C@@H]2F)C1	2134991523	ZPTRVAZFIXYYDO-UWVGGRQHSA-N	317.379	0.828	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C2[C@H]3CCCC[C@H]23)[nH]1	1923174489	UZQOOHNMZWITOH-YUMQZZPRSA-N	301.343	0.875	70	10	DCIE	
CC#CCN(C)CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1482629098	QVMDNSUSMMYZAL-UHFFFAOYSA-N	315.370	0.700	70	10	DCIE	
COC(=O)C[C@H](NC(=O)[C@H]1CCNC(=O)C1)c1ccccc1	160065474	NOGWFGNXHUGACO-STQMWFEESA-N	304.346	0.933	70	10	DCIE	
Cc1cc(OCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)nn1C	159740218	PDUOGPOSCITUTD-CQSZACIVSA-N	324.425	0.580	70	10	DCIE	
CCO[C@@]1(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)CCOC1	1968235484	LSXVUQBQJBEMGS-JQWIXIFHSA-N	309.359	0.472	70	10	DCIE	
CO[C@]1(CNc2ccc(S(N)(=O)=O)c(N)c2)CCOC1	159970789	BOPTVVFQYJBMCJ-LBPRGKRZSA-N	301.368	0.134	70	10	DCIE	
CN(C[C@@H]1C[C@H]2OCC[C@H]2O1)c1ncncc1[B-](F)(F)F	2172777951	JONIYSJUIZFIDI-JMJZKYOTSA-N	302.085	0.914	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1CC(=O)N(C)C	381862548	VEKLRPKOSXIVFR-UHFFFAOYSA-N	310.719	0.115	70	10	DCIE	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2S(=O)(=O)F	1954656880	SJLPGFYPQVLAFA-DTWKUNHWSA-N	310.347	0.521	70	10	DCIE	
CC(C)(C)OC(=O)NC[C@]12CN(S(=O)(=O)F)C[C@@H]1CCO2	1957337307	VAXXGTQQEFVGGF-CABZTGNLSA-N	324.374	0.816	70	10	DCIE	
COC[C@@H]1C[C@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2117728688	QVXBSCSVUSZZHG-NKWVEPMBSA-N	307.759	0.410	70	10	DCIE	
Cn1cnc([N+](=O)[O-])c1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1436242564	WMTPAKPVOIKFBT-UHFFFAOYSA-N	317.258	0.567	70	10	DCIE	
COc1cc(C(=O)N[C@H](C)CC(N)=O)ccc1S(=O)(=O)F	1525883868	JALYEQDSVKTEDO-SSDOTTSWSA-N	318.326	0.347	70	10	DCIE	
COc1ccccc1N1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1	161084174	HYCJSNLKRYQPOF-CHWSQXEVSA-N	317.389	0.916	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccc(N)c(C)c2)CCOC1	159908288	BHEHNDMKYHJJHC-ZDUSSCGKSA-N	300.380	0.661	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1c1nc(Cl)nnc1Cl	160274192	NJXCFBVGWZQRPK-SSDOTTSWSA-N	320.180	0.910	70	10	DCIE	
O=C1CC[C@H]2CN(S(=O)(=O)C3CCOCC3)CC[C@@H]2N1	160715528	UQQPNDNEVLNIFS-JQWIXIFHSA-N	302.396	0.096	70	10	DCIE	
CCN1CCO[C@H]([C@H](N)c2c(Cl)cnn2CCOC)C1	161213878	CWQYJVWDHSPVFL-RYUDHWBXSA-N	302.806	0.903	70	10	DCIE	
CC1(C)CCO[C@@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2154287407	RAOCQILXTQESNV-MRVPVSSYSA-N	322.770	0.692	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CC[C@H]3OCCO[C@H]3C2)n1	2172767948	BBKNWQMKGJIIHL-MNOVXSKESA-N	302.085	0.834	70	10	DCIE	
CN(C)CCN(C)CCN(C)c1ncc([B-](F)(F)F)cn1	2179014055	VKOMZUJVIJWEEP-UHFFFAOYSA-N	304.149	0.461	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)CC1[C@@H]2CS(=O)(=O)C[C@@H]12	2054286346	ZNORUPAMBXFECY-UWVGGRQHSA-N	315.844	0.168	70	10	DCIE	
O=C(N1CC[C@H](S(=O)(=O)F)C1)[C@]12CCCCN1CCC2	2186093327	YDAAHQBJJVMEQH-WCQYABFASA-N	304.387	0.905	70	10	DCIE	
Cn1nnc(-c2nc(S(=O)(=O)Cl)n[nH]2)c1C(F)(F)F	2088347169	JKUBBBJPRAOMNP-UHFFFAOYSA-N	316.652	0.547	70	10	DCIE	
COc1ccncc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287080335	ZFSZHKHHLAXDFC-MRVPVSSYSA-N	303.315	0.109	70	10	DCIE	
CCOC(=O)CNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	217287628	DDOWQFLZIQAQPV-CYBMUJFWSA-N	319.361	0.650	70	10	DCIE	
Cc1cnc(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)o1	700449076	JASNAOGNSKDLNV-UHFFFAOYSA-N	305.699	0.221	70	10	DCIE	
C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)Cl)C1	1953573944	PKGDXSIEQLBPJI-NTSWFWBYSA-N	308.709	0.859	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@H]2C[C@@H](O)C[C@H]1C2	1347256442	RCSUYSVEAZTMFG-IWSPIJDZSA-N	302.327	0.658	70	10	DCIE	
C#CCN(C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1716495472	HMEKVYYVAXXTEI-VIFPVBQESA-N	301.343	0.356	70	10	DCIE	
COC[C@@H](C)N[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1774037803	FSTIHKSKSBOCJR-RKDXNWHRSA-N	321.374	0.416	70	10	DCIE	
COc1cc(NC(=O)[C@@H]2OCC[C@H]2C)ccc1S(N)(=O)=O	160278848	IDYSQSMRVLNYLO-PRHODGIISA-N	314.363	0.706	70	10	DCIE	
O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F	160293585	QBBKSMSBHDGYTI-QUNWWBBNSA-N	309.272	0.535	70	10	DCIE	
CCn1nccc1[C@H](O)C[C@@H]1CCCN(S(C)(=O)=O)C1	160328181	DHWZXULVCBFIHM-WCQYABFASA-N	301.412	0.998	70	10	DCIE	
Cc1oc(C(=O)N[C@@H]2COC[C@@H]2F)cc1S(=O)(=O)Cl	1876000495	RZCFFRNSRNZKLO-NKWVEPMBSA-N	311.718	0.982	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CCS(=O)(=O)C1	2031473338	WPLQTKRXHJOLOO-QMMMGPOBSA-N	312.800	0.554	70	10	DCIE	
O=S1(=O)CC[C@H]2CN(c3ncc(F)cc3[B-](F)(F)F)C[C@H]21	2188590935	TWIHGSZOEBTVTF-OIBJUYFYSA-N	323.100	0.898	70	10	DCIE	
Cn1c([C@@H]2CCc3nncn3C2)nnc1S(=O)(=O)Cl	2103645237	XSSLJTQSPPCHHE-ZCFIWIBFSA-N	302.747	0.064	70	10	DCIE	
CC(C)n1c(CN2CCOCC2)nnc1S(=O)(=O)Cl	2092371380	SVHUAJMSTYJTHG-UHFFFAOYSA-N	308.791	0.619	70	10	DCIE	
CCCc1ocnc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287072269	LMOGQJQKDILNDK-QMMMGPOBSA-N	305.331	0.646	70	10	DCIE	
COc1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)s1	2271496941	CFMVTHIKKMWKFX-SSDOTTSWSA-N	308.356	0.775	70	10	DCIE	
O=S(=O)(N[C@H]1CCN(S(=O)(=O)F)C1)C1CCCCC1	2271512723	BAFGJCHGRINTDH-VIFPVBQESA-N	314.404	0.527	70	10	DCIE	
CO[C@H]1C[C@@H](C(=O)NC2CN(S(=O)(=O)F)C2)C12CCC2	2284152163	XVBRCWVXXMFCRW-UWVGGRQHSA-N	306.359	0.206	70	10	DCIE	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(S(=O)(=O)F)C1	1897481307	LMEZDXMLNGVDJS-SECBINFHSA-N	324.374	0.800	70	10	DCIE	
COCC[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1271757789	OIAKXTVSMIHUQZ-LLVKDONJSA-N	303.315	0.721	70	10	DCIE	
CNC(=O)COc1cc(C)c(S(=O)(=O)Cl)cc1[N+](=O)[O-]	215673026	GWHULKVYRLDJSC-UHFFFAOYSA-N	322.726	0.956	70	10	DCIE	
CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(CN)oc1C	217526021	OZFPBJPWJUFSRG-LLVKDONJSA-N	301.412	0.809	70	10	DCIE	
O=S(=O)(Cl)c1nnc(C[C@@H]2COCCO2)n1C1CC1	1916698094	HHBVZTVAFNKPQD-MRVPVSSYSA-N	307.759	0.498	70	10	DCIE	
O=C(Nc1ccccc1S(=O)(=O)F)[C@@H]1CCS(=O)(=O)C1	228313114	QIMJYOVNUYVRHG-MRVPVSSYSA-N	321.351	0.718	70	10	DCIE	
CCc1cccc(CC(=O)NCCN2CCS(=O)(=O)CC2)c1	161120820	XVZIASHWXVDGEK-UHFFFAOYSA-N	324.446	0.638	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1c1nc(Cl)nc(OC)n1	160271716	HEKYRZVQBLHFSK-QMMMGPOBSA-N	315.761	0.265	70	10	DCIE	
C#C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1	166839191	WRKCPLBFQJFHEQ-MRVPVSSYSA-N	307.780	0.914	70	10	DCIE	
Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1C[C@@H]2CCC[C@H](C1)N2	159432350	RFQWNRZWVIZKBI-TXEJJXNPSA-N	315.377	0.226	70	10	DCIE	
C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CC[C@H](S(=O)(=O)F)C1	2144732396	FHNNMTBNCSZTNL-UTLUCORTSA-N	306.359	0.049	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1c[nH]nc1C1CC1	1974055661	ULPJXQDERMUKBB-UHFFFAOYSA-N	302.331	0.163	70	10	DCIE	
CC(C)(C(=O)N1CCN(S(=O)(=O)F)CC1)C(F)(F)F	1974001688	YUXVKWIVVHHPOW-UHFFFAOYSA-N	306.281	0.933	70	10	DCIE	
O=C(NCCc1ccc(S(=O)(=O)Cl)cc1)c1c[nH]nn1	157408578	BSBYNHKSIILBKP-UHFFFAOYSA-N	314.754	0.705	70	10	DCIE	
C[C@@H](CO)[C@@H](C)NC(=O)c1ccc(NS(C)(=O)=O)cc1	160416702	LPKWTOHRUUACSR-VHSXEESVSA-N	300.380	0.805	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nnc(C(F)F)o1	2010742528	ITFAUKITDUGUAJ-UHFFFAOYSA-N	310.687	0.350	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1Cc1cnn(C)n1	384027278	QYTKEMBNHYMKAP-UHFFFAOYSA-N	320.718	0.204	70	10	DCIE	
CN1CCO[C@@H]2CN(c3ncc([B-](F)(F)F)cc3F)C[C@H]21	2172796951	YPLNRDFSMRQTQP-GHMZBOCLSA-N	304.076	0.794	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)[C@H]2COC[C@@H]2OC)n1	2280490589	KPWSXGDTHONJOO-UWVGGRQHSA-N	305.085	0.995	70	10	DCIE	
CC[C@H]1CC[C@@H](N)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217970869	DDBMJXZRRGYWKV-BFHYXJOUSA-N	303.472	0.717	70	10	DCIE	
Cc1cc(NC(=O)c2nnn(C)n2)ccc1S(=O)(=O)Cl	697220097	BWNMIUVHPDZCDS-UHFFFAOYSA-N	315.742	0.698	70	10	DCIE	
O=C(N[C@@H]1CCc2cncn2C1)c1cc(S(=O)(=O)F)c[nH]1	1521575169	ITVBVDFHRDAIDS-MRVPVSSYSA-N	312.326	0.614	70	10	DCIE	
CNC(=O)COc1cccc(CC(=O)NCc2ccnn2C)c1	161460091	SEGIHSFDPSXTGF-UHFFFAOYSA-N	316.361	0.404	70	10	DCIE	
C[C@@H](CCCN1CCS(=O)(=O)CC1)S(=O)(=O)Cl	1949709076	IABDJEPNOIJYPP-VIFPVBQESA-N	303.833	0.454	70	10	DCIE	
Cn1nccc1C=CC(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2144732477	GISOJYRTAAJEOX-LLVKDONJSA-N	301.343	0.724	70	10	DCIE	
C[C@@H]1C[C@@H](C(=O)NCC2CN(S(=O)(=O)F)C2)CCS1	1974055191	NUDSCDRVQPVEDM-SCZZXKLOSA-N	310.416	0.780	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@@H]1CNC(=O)O1	312775496	NKANGZDMFSILHI-YFKPBYRVSA-N	324.702	0.136	70	10	DCIE	
COc1nc(N2CC(CCN(C)C)C2)ncc1[B-](F)(F)F	2176672605	KVWUBRSLGMGNAW-UHFFFAOYSA-N	303.117	0.928	70	10	DCIE	
CCn1nnc(CN(C)c2nc(C)ncc2[B-](F)(F)F)n1	2197851239	BUGVSXXKVCSSTI-UHFFFAOYSA-N	300.077	0.482	70	10	DCIE	
O=C(N[C@@H]1[C@H]2CCOC[C@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2093705663	ISHLLKJTLXPMNI-QXFUBDJGSA-N	304.755	0.707	70	10	DCIE	
C[C@@]1([B-](F)(F)F)CCN(S(=O)(=O)C2CS(=O)(=O)C2)C1	2319743282	HDCFKWVAMWZHRC-MRVPVSSYSA-N	320.143	0.427	70	10	DCIE	
C[C@H](CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1)[S@](C)=O	135262735	NLEHLXBXVSYMDH-ZWBDZOEQSA-N	312.800	0.439	70	10	DCIE	
CO[C@@H]1CC[C@@H]1N(C)C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	724160379	KQMGKIQMTKVCNY-JGVFFNPUSA-N	321.786	0.895	70	10	DCIE	
CCN(c1ncc([B-](F)(F)F)cn1)[C@@H](C)CS(C)(=O)=O	2116147295	AVVWAFRYOVYJCL-QMMMGPOBSA-N	310.130	0.790	70	10	DCIE	
NN[C@H](Cc1ccc(Br)cn1)[C@H]1COCCO1	161122708	OVDHBFDFFSWDFO-GHMZBOCLSA-N	302.172	0.634	70	10	DCIE	
C[C@@]1(C(F)F)C[C@@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	1974056001	ZGDHOBGILBLTAP-GMSGAONNSA-N	300.302	0.540	70	10	DCIE	
CO[C@]1(c2nnc(S(=O)(=O)Cl)n2C2CC2)CCOC1	402050784	MVYAYUKULKTSQV-SNVBAGLBSA-N	307.759	0.803	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2CCO[C@H]3C[C@@H]32)c1	2171916345	DEIJTTVWAIPPMA-QWRGUYRKSA-N	321.351	0.507	70	10	DCIE	
COC[C@H](COC(=O)c1cc(S(=O)(=O)Cl)c[nH]1)OC	695715349	FXQLMBCELUQTPV-SSDOTTSWSA-N	311.743	0.760	70	10	DCIE	
CC(C)(C)C(=O)NCCCC(=O)N1CC(S(=O)(=O)F)C1	2199694512	RWRSAGDEJVQEFM-UHFFFAOYSA-N	308.375	0.439	70	10	DCIE	
CC(C)(C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCCO1	2287077625	MPZHPGJUDHGVRP-NXEZZACHSA-N	308.375	0.596	70	10	DCIE	
O=C(c1cnc(C(F)(F)F)o1)N1CC(S(=O)(=O)F)C1	2343730491	WFAUXHVLTMNHHX-UHFFFAOYSA-N	302.205	0.817	70	10	DCIE	
CCCNC(=O)C(=O)NC[C@H](O)c1ccc(OC)c(OC)c1	217378054	YBEQTMDQSLTMIV-NSHDSACASA-N	310.350	0.380	70	10	DCIE	
CC(C)(O)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1347230514	XSBRVJWMOMBSDR-MRVPVSSYSA-N	304.343	0.906	70	10	DCIE	
CCn1ccnc1Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215921134	HELGXNSUWDNYJL-UHFFFAOYSA-N	319.730	0.984	70	10	DCIE	
C#CCN(C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1716495471	HMEKVYYVAXXTEI-SECBINFHSA-N	301.343	0.356	70	10	DCIE	
CS(=O)(=O)C[C@H](Cc1ccc(Br)cn1)NN	161143169	COOAQKLLDHRMHF-VIFPVBQESA-N	308.201	0.263	70	10	DCIE	
CCOc1c(F)cccc1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1	161297380	XIXHSTRUUYHJLP-JOYOIKCWSA-N	310.325	0.987	70	10	DCIE	
Cc1ccc(NC(=O)C(=O)NC[C@H](O)CN2CCCCC2)cn1	160040309	DCORNQHLNDOZRD-AWEZNQCLSA-N	320.393	0.292	70	10	DCIE	
CCn1cc(S(=O)(=O)NCC2(N(C)C)CCCC2)c(N)n1	160679116	XPAMHBHIGLBOCF-UHFFFAOYSA-N	315.443	0.638	70	10	DCIE	
CSCCCC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O	160681031	FDEBEUDELIYQIL-MNOVXSKESA-N	308.469	0.964	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCn3ccnc3C2)cc1N	159619987	BKWUHADGUROTNG-UHFFFAOYSA-N	307.379	0.394	70	10	DCIE	
C[C@@](O)(Cc1ccc(F)cc1)[C@@]1(CN)CCS(=O)(=O)C1	159424104	UMLLBUWIRUZXON-ZIAGYGMSSA-N	301.383	0.883	70	10	DCIE	
COc1ccc(S(=O)(=O)NC[C@@]2(OC)CCOC2)c(N)c1	159903434	KYYYQZQMHBRDAZ-ZDUSSCGKSA-N	316.379	0.361	70	10	DCIE	
COCCn1ncc(N2CC[C@H]3CC[C@@H](C2)N3)c(Cl)c1=O	159942481	AUMAAVFWZYMZMW-MNOVXSKESA-N	312.801	0.874	70	10	DCIE	
COc1nn(Cc2ncccn2)c(OC)c1S(=O)(=O)Cl	2149826943	KKOHIBODQCKEBL-UHFFFAOYSA-N	318.742	0.666	70	10	DCIE	
COc1ccncc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974000588	BZHPDYZBCBYRHM-UHFFFAOYSA-N	303.315	0.062	70	10	DCIE	
C[C@@H]1O[C@H](C)[C@@H](C(=O)N2CCN(S(=O)(=O)F)CC2)[C@@H]1C	1974015333	SLMLCLTVKWNARV-YTWAJWBKSA-N	308.375	0.404	70	10	DCIE	
O=C(Cc1ccc(O)cc1)NCC1CN(S(=O)(=O)F)C1	1974059924	POUJOSVFSMCLEJ-UHFFFAOYSA-N	302.327	0.197	70	10	DCIE	
CN1CCCC[C@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974402684	PZDRBGCNLOIUPL-NSHDSACASA-N	307.391	0.266	70	10	DCIE	
COc1nc(N2C[C@@H]3CN(C)C[C@H]3C2)ncc1[B-](F)(F)F	2172769804	CGJBWSWYQVTBCB-IUCAKERBSA-N	301.101	0.537	70	10	DCIE	
O=S1(=O)C[C@H]2CCN(c3ncc([B-](F)(F)F)cc3F)[C@@H]2C1	2172792501	RZEKDZWXLBHLBD-GMSGAONNSA-N	323.100	0.898	70	10	DCIE	
O=C(N1CC[C@@H](S(=O)(=O)F)C1)[C@@]12CCCCN1CCC2	2186093328	YDAAHQBJJVMEQH-YPMHNXCESA-N	304.387	0.905	70	10	DCIE	
Cc1cc(OCCC(N)=O)c([N+](=O)[O-])cc1S(=O)(=O)F	2191413387	FAKYRHXVSXBIHO-UHFFFAOYSA-N	306.271	0.816	70	10	DCIE	
CC(C)(C)c1nc(C(=O)N2CC(CS(=O)(=O)F)C2)n[nH]1	2199682387	IWWZKBJFSWYJAX-UHFFFAOYSA-N	304.347	0.474	70	10	DCIE	
COCCN(C(=O)Nc1ccco1)[C@H]1CCS(=O)(=O)C1	217271995	NRHLDJPOMLBPAO-JTQLQIEISA-N	302.352	0.947	70	10	DCIE	
CC(C)(C)OC(=O)N1CC(N2CCN(S(=O)(=O)F)CC2)C1	1955897642	JGRUATVVHFMTBY-UHFFFAOYSA-N	323.390	0.438	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)[C@H]2CCC[C@H]2F)C1	2118895055	MQUOTTPMILVCNZ-BBBLOLIVSA-N	317.379	0.971	70	10	DCIE	
CC[C@@H]1CC[C@H](O)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217972934	FOIQKGQDNYPJKW-MCIONIFRSA-N	304.456	0.751	70	10	DCIE	
CC(C)n1c(C[C@@H]2COCCO2)nnc1S(=O)(=O)Cl	1916704356	VCJVWNFMACEABK-MRVPVSSYSA-N	309.775	0.744	70	10	DCIE	
C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H](C)NCCCO	1717426671	JKIYWOJRTJOUAA-BDAKNGLRSA-N	321.374	0.152	70	10	DCIE	
CC#CCNCCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1723124099	SNXKFYPUQPXTLD-UHFFFAOYSA-N	315.370	0.748	70	10	DCIE	
N#CCNC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1690739108	JMQVBYZYWDFHSY-SECBINFHSA-N	314.342	0.248	70	10	DCIE	
C#CCN[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(C)C	1698972495	NMVKXTGVMFLXCR-GFCCVEGCSA-N	315.370	0.650	70	10	DCIE	
Cc1noc([C@H]2COCCN2CC(=O)Nc2nncs2)n1	161214566	CXDWOSISZHIXOX-MRVPVSSYSA-N	310.339	0.242	70	10	DCIE	
O=c1cc[nH]cc1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	160877644	SYFHAAOWIAARMS-RISCZKNCSA-N	312.391	0.691	70	10	DCIE	
COc1ccc(N)cc1S(=O)(=O)NCC(=O)NC(C)(C)C	159841368	ARMCYBKRDKWXAT-UHFFFAOYSA-N	315.395	0.470	70	10	DCIE	
COC(=O)Cn1ncc(N2C[C@H](C)NC[C@H]2C)c(Cl)c1=O	159569188	DUUCMRIODDCDIE-DTWKUNHWSA-N	314.773	0.256	70	10	DCIE	
COC(=O)C1(N(C)CCn2nc3ccccn3c2=O)CCCC1	159397049	CULCYFPBAGUEBW-UHFFFAOYSA-N	318.377	0.914	70	10	DCIE	
Cc1c(N)cc(OS(=O)(=O)F)cc1CS(=O)(=O)F	1887519922	NWZHWKPNDCXZSS-UHFFFAOYSA-N	301.292	0.970	70	10	DCIE	
Cc1csc(=O)n1CC(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2144733483	QJWMOIAZVNTORP-SECBINFHSA-N	322.383	0.509	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@]2(C)CCOC2)c1S(=O)(=O)Cl	162385520	XBUFXDPMGYVQSV-NSHDSACASA-N	321.786	0.808	70	10	DCIE	
Cc1cc(S(=O)(=O)F)ccc1O[C@H]1CC(=O)N(C)C1=O	2191424554	UGEXAVZYLZQKOC-JTQLQIEISA-N	301.295	0.789	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1	2088470198	VJTLGHCCDKJILN-VIFPVBQESA-N	315.388	0.259	70	10	DCIE	
COc1nn(C)cc1Cn1cc(S(=O)(=O)Cl)nc1C	2111755610	OJFJXSPOLDQEFZ-UHFFFAOYSA-N	304.759	0.909	70	10	DCIE	
CS(=O)(=O)N1CC[C@H](Oc2nc([B-](F)(F)F)cs2)C1	2257808922	IPERSVPLNXVDOL-LURJTMIESA-N	315.127	0.610	70	10	DCIE	
CC(C)/C=C/NC(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1	218520360	HIBALOWTOFKZDN-VUDGCMKMSA-N	317.455	0.916	70	10	DCIE	
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1123568002	OBTGUERMIYSPEJ-HTQZYQBOSA-N	317.342	0.399	70	10	DCIE	
O=C(NCC#C[C@H]1CCCCO1)c1cc(S(=O)(=O)F)c[nH]1	1123983254	KTHIHCOMLZUCTP-SNVBAGLBSA-N	314.338	0.975	70	10	DCIE	
O=C(NCC[C@H](O)C(F)(F)F)c1cc(S(=O)(=O)F)c[nH]1	1139313101	YGEKOBSLLVZHNE-ZETCQYMHSA-N	318.248	0.716	70	10	DCIE	
CC(=O)NCCNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	1161936086	PPISSKPGCGGUCT-UHFFFAOYSA-N	319.314	0.942	70	10	DCIE	
Cn1c(C(=O)N2CC(CCS(=O)(=O)F)C2)cnc1Cl	2134980414	DAYNQPLPBCQJCE-UHFFFAOYSA-N	309.750	0.835	70	10	DCIE	
C[C@]12C[C@](NC(=O)c3cc(S(=O)(=O)Cl)c[nH]3)(CO1)C2	2137874243	VSLOZLGCRFPYDX-XYPYZODXSA-N	304.755	0.994	70	10	DCIE	
CCC(=O)N[C@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1737678447	LNMQDGKPFNUEBY-MRVPVSSYSA-N	319.358	0.708	70	10	DCIE	
CC(C)[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC#N	1667493986	QKWGDXYTOTWNGY-NSHDSACASA-N	316.358	0.540	70	10	DCIE	
Cn1cnc(N)c1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	160348713	NZRGCPGCWKJHKB-MFKMUULPSA-N	314.411	0.318	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1Cc1nnc(NCC)s1	160387338	OYLOUNUAKYTJPG-SNVBAGLBSA-N	313.427	0.697	70	10	DCIE	
CCCN1CCN(c2ccc(S(=O)(=O)NC)c(N)c2)CC1	159553138	ABUGPQICDVJNLS-UHFFFAOYSA-N	312.439	0.709	70	10	DCIE	
CC(C)(C)OC(=O)NCC=CC(=O)N1CC(S(=O)(=O)F)C1	1897480970	IEXJTCHXNHJVFN-UHFFFAOYSA-N	322.358	0.577	70	10	DCIE	
Cn1ncc(S(=O)(=O)Nc2ccccc2S(=O)(=O)F)n1	2144430224	UUHAWEARRVVZNA-UHFFFAOYSA-N	320.327	0.274	70	10	DCIE	
O=C(N1CCC[C@@H](S(=O)(=O)F)C1)C12CCCN1CCC2	1968234413	BLGICPGGKFTGTH-LLVKDONJSA-N	304.387	0.905	70	10	DCIE	
Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](S(=O)(=O)F)C1	1968235017	HSKNOGHOVHSPKS-QMMMGPOBSA-N	305.287	0.447	70	10	DCIE	
O=C(c1ncoc1C1CC1)N1CCN(S(=O)(=O)F)CC1	1974001601	XAAAZGFHDYPXKG-UHFFFAOYSA-N	303.315	0.524	70	10	DCIE	
C[C@@]1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CC1(F)F	1974394457	JIHYZKSVZQMWDN-VIFPVBQESA-N	300.302	0.827	70	10	DCIE	
COc1ccc(S(=O)(=O)N2CCC(C)(O)CC2)cc1N	160362790	FLQXPMNPRKBUPC-UHFFFAOYSA-N	300.380	0.813	70	10	DCIE	
O=S(=O)(Cl)CCCN1CC(S(=O)(=O)C(F)F)C1	2025923983	SJCYNQRMFMVUST-UHFFFAOYSA-N	311.759	0.267	70	10	DCIE	
COCCn1c(C[C@@H]2CC[C@H](C)O2)nnc1S(=O)(=O)Cl	2161088142	CWKGECCYNFLXFI-IUCAKERBSA-N	323.802	0.962	70	10	DCIE	
CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)F)cc1C(=O)O	2191434657	MPGOAEUREBMFSY-ZCFIWIBFSA-N	305.283	0.556	70	10	DCIE	
CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(C1CCCC1)C2	218299809	AWPVIMXDTYLQTC-CQSZACIVSA-N	313.423	0.719	70	10	DCIE	
O=C(NC[C@H](O)Cn1ccccc1=O)c1ccc(F)cc1F	218425142	KMSKVGAJLPMPKT-NSHDSACASA-N	308.284	0.917	70	10	DCIE	
C[C@H]1CCN(S(=O)(=O)Cl)C[C@H]1NC(=O)C(F)(F)F	1953573039	GPDCSPFAPZVSOT-NTSWFWBYSA-N	308.709	0.859	70	10	DCIE	
Cc1ncnc(N2CC[C@@H](S(C)(=O)=O)C2)c1[B-](F)(F)F	2123305595	KGNIFZCOPKDLSM-MRVPVSSYSA-N	308.114	0.463	70	10	DCIE	
C[C@@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC#N	1266175358	JWBLIDXBWFVXAU-QMMMGPOBSA-N	302.331	0.294	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C1(C(F)(F)F)CC1	2271485644	POTZFWXQGUDXCB-ZCFIWIBFSA-N	304.265	0.734	70	10	DCIE	
CC1(OCC(=O)Nc2cc(S(C)(=O)=O)ccc2O)CNC1	161220612	JTTGBLUXAXQGHU-UHFFFAOYSA-N	314.363	0.113	70	10	DCIE	
CC[C@@H]1[C@@H]2CNC[C@@H]2CN1c1cnn(CCO)c(=O)c1Cl	159750117	SUIMWNKQYRSVNG-GMTAPVOTSA-N	312.801	0.323	70	10	DCIE	
CC1(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)CSC1	2035384180	TVYGWGRFESVGHQ-UHFFFAOYSA-N	310.784	0.630	70	10	DCIE	
CC(C)N1CCN(CCn2cc(S(=O)(=O)Cl)cn2)CC1	2169944746	AUQZXEQWNDSMNK-UHFFFAOYSA-N	320.846	0.837	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)Cc2ccncc2)CC1	2170909455	KXZWYESNUUHTAI-UHFFFAOYSA-N	322.383	0.675	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cc(O)cc(Cl)c1	2187047953	IDJJYYTYNZMNPV-UHFFFAOYSA-N	322.745	0.922	70	10	DCIE	
COC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2287071406	TYIGEQKRNQGXMB-OUAUKWLOSA-N	308.375	0.454	70	10	DCIE	
O=C(NC[C@H](O)Cn1ccccc1=O)c1cc2ccccn2c1	218440756	SFKILCSXESPSJZ-HNNXBMFYSA-N	311.341	0.892	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1ccc(N)cc1OC	218123690	BRFZQUQPXHSUDX-UHFFFAOYSA-N	301.368	0.034	70	10	DCIE	
CC(C)C(=O)NCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1527930279	AGICLOOWEXOKRZ-UHFFFAOYSA-N	319.358	0.517	70	10	DCIE	
CC(=O)N[C@H](C)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1701429470	GPKFODCVNNIFCG-MRVPVSSYSA-N	319.358	0.708	70	10	DCIE	
CCc1nc2n(n1)C[C@H](NC(=O)N(C)C[C@@H]1CCC[C@@H]1O)CC2	161279884	QNFNRWSQNVDGCX-XQQFMLRXSA-N	321.425	0.958	70	10	DCIE	
CCCCOCCCNC(=O)c1n[nH]c(C)c1S(N)(=O)=O	160562761	IRILIQZAPHZOFR-UHFFFAOYSA-N	318.399	0.302	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1c1cccc(C(N)=S)n1	159804336	ODCTVJBDMBABFO-NSHDSACASA-N	308.407	0.447	70	10	DCIE	
C=C1CON(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	1965833182	DBYVFMKYVKOCFV-UHFFFAOYSA-N	307.324	0.837	70	10	DCIE	
CCc1cc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)n(C)n1	1968226780	GKAXRWXMDVCZPA-JTQLQIEISA-N	303.359	0.886	70	10	DCIE	
O=C(CCOCC(F)F)N1CCC(S(=O)(=O)F)CC1	1968218672	YKBSAOAEWPVMOH-UHFFFAOYSA-N	303.302	0.949	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)C1CCSCC1	1974394585	LJWOPBLTRODHJY-UHFFFAOYSA-N	310.416	0.925	70	10	DCIE	
CNC[C@@H]1CCN(c2cnn(CCOC)c(=O)c2Cl)C1	159365307	XEXOIPRYJBNZIB-JTQLQIEISA-N	300.790	0.589	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc(CN)cc2)CCOC1	160172279	MWXZJBOGVTUBDX-CYBMUJFWSA-N	300.380	0.229	70	10	DCIE	
CN1C[C@@H](Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)CC1=O	687225265	MCWYZILQQCUBEO-LURJTMIESA-N	322.730	0.197	70	10	DCIE	
COc1nc(N2CCN3CCC2CC3)ncc1[B-](F)(F)F	2172768716	MRSHJJVLBCKZDU-UHFFFAOYSA-N	301.101	0.824	70	10	DCIE	
CN(c1ccncc1[B-](F)(F)F)[C@@H]1CCN(S(C)(=O)=O)C1	2172783454	FOQSDLNMLCFAOC-SECBINFHSA-N	322.141	0.606	70	10	DCIE	
Cc1nc(N2CCC[C@@H](S(C)(=O)=O)C2)ncc1[B-](F)(F)F	2172766042	AFKNIQLOYMICDP-SECBINFHSA-N	322.141	0.853	70	10	DCIE	
CCS(=O)(=O)[C@@H]1CCN(c2nc(C)ncc2[B-](F)(F)F)C1	2179894712	RWSFTKBAKTZBOJ-SECBINFHSA-N	322.141	0.853	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@H]1[C@@H]2COC[C@@H]21	2188905235	RYEHZQFKLWKADE-WHUPJOBBSA-N	321.742	0.920	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)C[C@@H]1CO[C@H]2COC[C@H]12	2101814419	MWGPYAYHHBUMRG-UTUOFQBUSA-N	311.831	0.928	70	10	DCIE	
O=S(=O)(NC1CN(S(=O)(=O)F)C1)c1ccc(F)cc1	2268772700	NBHBZGNJOLBRAG-UHFFFAOYSA-N	312.319	0.003	70	10	DCIE	
C[C@H](C[S@@](C)=O)NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	135264068	LATVJKSJHHOTJF-DDNLTXGXSA-N	312.800	0.439	70	10	DCIE	
CC(=O)Oc1cccc(NC(=O)N2CCN(CCN)CC2)c1	217265225	MAIVKPVGAQFFJL-UHFFFAOYSA-N	306.366	0.720	70	10	DCIE	
CC(C)(C)n1c(CS(C)(=O)=O)nnc1S(=O)(=O)Cl	227586200	HJXDDVAWROSMPI-UHFFFAOYSA-N	315.804	0.505	70	10	DCIE	
Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)c(F)c1	2134981861	PSDFPWCUMWRVDE-UHFFFAOYSA-N	311.331	0.806	70	10	DCIE	
COCCOCCNC(=O)c1cc(S(=O)(=O)Cl)cn1C	115782464	QGTWXCQJWQJDDA-UHFFFAOYSA-N	324.786	0.345	70	10	DCIE	
CO[C@@H](C)CNC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1732970690	ASXQNRJKCSCQIR-BDAKNGLRSA-N	321.374	0.416	70	10	DCIE	
O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)NCC(=O)N1CCCC1	160616409	JXQFJNILFGWMDS-WMLDXEAASA-N	323.437	0.352	70	10	DCIE	
O=C(CCn1ccccc1=O)N1CC[C@H](S(=O)(=O)F)C1	1968236082	SDWXZCLKKOAKIP-JTQLQIEISA-N	302.327	0.139	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	163299509	MIHQIFSSTMNUFW-VIFPVBQESA-N	323.367	0.802	70	10	DCIE	
Cc1cc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)ncc1[B-](F)(F)F	2172773906	IEBYCVARZMLJKU-UWVGGRQHSA-N	319.137	0.925	70	10	DCIE	
O=C(COCC(F)(F)F)N1CCC[C@@H](S(=O)(=O)F)C1	2088473053	WYJLXYVPJSWHLU-SSDOTTSWSA-N	307.265	0.856	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)C1(C(F)(F)F)CCC1	2268796306	KVAPNTPTUMPRBA-UHFFFAOYSA-N	304.265	0.734	70	10	DCIE	
O=C(Nc1ccc(S(=O)(=O)F)nc1)c1ncncc1F	2289367635	QLZUPSFLQARCDT-UHFFFAOYSA-N	300.246	0.921	70	10	DCIE	
O=C(N1CC[C@H](S(=O)(=O)F)C1)[C@@]1(O)C[C@@H]1C(F)(F)F	2344049535	WXFCZHNAOLBHKE-VMHSAVOQSA-N	305.249	0.200	70	10	DCIE	
CN(CC(=O)N1CC(CS(=O)(=O)F)C1)C(=O)OC(C)(C)C	1897482668	XTTVLAKPRABPKM-UHFFFAOYSA-N	324.374	0.611	70	10	DCIE	
Cn1ccc(CC(=O)Nc2ncc(S(=O)(=O)F)s2)n1	1131810122	HFLQVUYNTWAOQJ-UHFFFAOYSA-N	304.328	0.716	70	10	DCIE	
O=C(NCC[C@@H](O)C(F)F)c1cc(S(=O)(=O)F)c[nH]1	1347083264	OEGGPKLZPMXGOA-SSDOTTSWSA-N	300.258	0.419	70	10	DCIE	
CC(=O)N(C)CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1704868424	ATPIGOHPIZEKCE-UHFFFAOYSA-N	305.331	0.223	70	10	DCIE	
CNC(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1	161051365	JLXYFJGCTYCWBP-GFCCVEGCSA-N	314.349	0.774	70	10	DCIE	
Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1	160078769	AQDHBHUVPPFRRY-MRVPVSSYSA-N	320.802	0.281	70	10	DCIE	
NCCCNC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2	160176134	NFCKNTVVHAUZAS-OAQYLSRUSA-N	312.391	0.421	70	10	DCIE	
CC(C)CN1CCC[C@@H]1CNS(=O)(=O)c1cnn(C)c1	160305058	MWGRSGKYPQGMKS-GFCCVEGCSA-N	300.428	0.819	70	10	DCIE	
CCNc1nnc(CN2CCOC[C@H]2C(=O)NC(C)C)s1	160396934	LNDFWCOVGDWMBY-JTQLQIEISA-N	313.427	0.695	70	10	DCIE	
COC(CN1CCN(c2nc(C)nc3c2cnn3C)CC1)OC	160970665	VGXBBCSWODISHV-UHFFFAOYSA-N	320.397	0.413	70	10	DCIE	
CCOc1cc(N)cc(C(=O)N(C)CCS(C)(=O)=O)c1	159788025	ISKWAARDQFRENP-UHFFFAOYSA-N	300.380	0.784	70	10	DCIE	
CC[C@H](C(=O)N1CCOC[C@@H]1C(=O)NC(C)C)C(N)=S	159784293	RRYKJWVFEIAXHB-VHSXEESVSA-N	301.412	0.051	70	10	DCIE	
O=S(=O)(Cl)CCCCN1C[C@H]2CS(=O)(=O)C[C@H]2C1	2027584079	CFPAETUOFHZSON-AOOOYVTPSA-N	315.844	0.312	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@H]1CCC(=O)N1	380307798	HKMKQLXMLAIQOT-ZCFIWIBFSA-N	322.730	0.306	70	10	DCIE	
CN1CCO[C@H]2CN(c3ncc([B-](F)(F)F)cc3F)C[C@H]21	2172796952	YPLNRDFSMRQTQP-MNOVXSKESA-N	304.076	0.794	70	10	DCIE	
O=S1(=O)CC[C@H]2CN(c3ncc([B-](F)(F)F)cc3F)C[C@@H]21	2172787390	DTVUJPIJDDSFOY-XVKPBYJWSA-N	323.100	0.898	70	10	DCIE	
COCCN(C)C1CN(c2nc(C)ncc2[B-](F)(F)F)C1	2192531114	ONOJPOXUKZNHAA-UHFFFAOYSA-N	303.117	0.606	70	10	DCIE	
Cc1cc(C)c(OCC(=O)NCC#N)c(S(=O)(=O)F)c1	2191434978	QLVBQFJLZFRVHI-UHFFFAOYSA-N	300.311	0.980	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@H]1C(F)(F)F	2232576294	IXTKEQBKUHSHMM-HTQZYQBOSA-N	318.292	0.837	70	10	DCIE	
CC[C@H]1CC[C@@H](NC)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217971194	JGHINTYWXWDYKA-RRFJBIMHSA-N	317.499	0.978	70	10	DCIE	
Cc1cc(S(=O)(=O)Cl)c(C)cc1OCC(=O)NC(N)=O	215644517	LOOPAULGSWQJME-UHFFFAOYSA-N	320.754	0.805	70	10	DCIE	
Cc1ccc(F)cc1S(=O)(=O)N1CC(S(=O)(=O)F)C1	2134976314	XGUJPJXNQUYXJR-UHFFFAOYSA-N	311.331	0.806	70	10	DCIE	
CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(N)cc(C)c1F	159521743	ZVFWZYQLOHZDKZ-SNVBAGLBSA-N	315.370	0.615	70	10	DCIE	
COC[C@@H](O)CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	159944008	OHIWVMPHWWVIET-BPUTZDHNSA-N	321.421	0.813	70	10	DCIE	
Cc1cc(C(=O)N2CCN(S(=O)(=O)F)CC2)nnc1C	1974013837	AYLFMLQKNXDHIE-UHFFFAOYSA-N	302.331	0.066	70	10	DCIE	
COC(C)(C)CNC(=O)c1cc(N)cc(S(C)(=O)=O)c1	159826359	XIZOASQJVPBJAL-UHFFFAOYSA-N	300.380	0.827	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)N2CCCC2)CC1	2028129101	MMGFIDJZFJDYCJ-UHFFFAOYSA-N	300.377	0.091	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1C[C@H]2OCC[C@@H]2C1	2172080572	ANEWWDZXCRMVDY-LDYMZIIASA-N	318.782	0.814	70	10	DCIE	
CN1CCC[C@@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1	691589730	GBHKMUQMDSTKMH-MRVPVSSYSA-N	321.786	0.218	70	10	DCIE	
COc1nc(N2C[C@@H](C)[C@@H](N(C)C)C2)ncc1[B-](F)(F)F	2172764908	KAFJYCPIQWWIEX-SCZZXKLOSA-N	303.117	0.926	70	10	DCIE	
COc1nc(N2CCN(C3CC3)CC2)ncc1[B-](F)(F)F	2172764963	KUZCZUSRWNZBTL-UHFFFAOYSA-N	301.101	0.824	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1[C@H]2OCCC[C@@H]21	2176539068	OWKDHBHQKHYWBL-IEBDPFPHSA-N	318.782	0.860	70	10	DCIE	
COC(=O)CS(=O)(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2073781541	NBJPVIDJGWRLEY-VXNVDRBHSA-N	300.087	0.803	70	10	DCIE	
Cn1cccc(-c2nnc(S(=O)(=O)Cl)n2C2CC2)c1=O	2236088728	KVNDOQHTOKMDQS-UHFFFAOYSA-N	314.754	0.906	70	10	DCIE	
COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CN	216744738	RDMDTQZJSUFACJ-JTQLQIEISA-N	317.386	0.298	70	10	DCIE	
CCc1cc(C(=O)N2CCC(S(=O)(=O)F)CC2)n(C)n1	1968217342	JYLSOGYWBAMSHO-UHFFFAOYSA-N	303.359	0.886	70	10	DCIE	
COc1ccccc1OCC(=O)N1CC(S(=O)(=O)F)C1	1968216549	BCHCRHNRYIPALQ-UHFFFAOYSA-N	303.311	0.584	70	10	DCIE	
CCCS(=O)(=O)CCN(C)CCCS(=O)(=O)Cl	2003996458	ZENPQSOQCOSCKJ-UHFFFAOYSA-N	305.849	0.702	70	10	DCIE	
Cc1cc(S(=O)(=O)NC[C@](C)(O)CN(C)C)c(C)s1	161480412	OGQIDNABQBBRQJ-LBPRGKRZSA-N	306.453	0.956	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)NC[C@H]2CCOC2)cc1	163318820	XTNLNASERCVKJG-SECBINFHSA-N	323.367	0.660	70	10	DCIE	
CCn1nnnc1Cn1nc(C)c(S(=O)(=O)Cl)c1C	698601946	FQEOUZPWPSITCM-UHFFFAOYSA-N	304.763	0.482	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)n1	2172767499	VHAWSTDOAIBPCI-SCZZXKLOSA-N	320.125	0.463	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)n1	2172764948	KMYZACWQNPZNTP-SCZZXKLOSA-N	320.125	0.463	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCOC[C@@H]2CN(C)C)n1	2172773297	ZCLQVZJAVVHSMI-JTQLQIEISA-N	303.117	0.606	70	10	DCIE	
Cc1ncnc(C)c1C(=O)N1CC(CCS(=O)(=O)F)C1	2199690763	ZOMRDLZPFKZENY-UHFFFAOYSA-N	301.343	0.855	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)C2Cc3ccccc3C2)C1	2199682234	GIEAPYONJUMWTM-UHFFFAOYSA-N	319.379	0.467	70	10	DCIE	
O=C([C@@H](O)c1ccccc1)N1CC(CCS(=O)(=O)F)C1	2199684668	SABKQEFOAYGRHW-LBPRGKRZSA-N	301.339	0.868	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1C[C@H](Br)C1	2243721596	HUKSETCNBQDXGD-IZLXSQMJSA-N	315.164	0.175	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)[C@@H]2COC[C@@H]2OC)n1	2280490591	KPWSXGDTHONJOO-ZJUUUORDSA-N	305.085	0.995	70	10	DCIE	
CCOC(=O)CNC(=O)NCCN1C(=O)c2ccccc2C1=O	217282394	JBWPSOVZFOFRRI-UHFFFAOYSA-N	319.317	0.145	70	10	DCIE	
Cn1nnnc1COc1c(F)cc(F)cc1S(=O)(=O)Cl	698607576	HXUBZVBOBOXOSG-UHFFFAOYSA-N	324.696	0.995	70	10	DCIE	
COC[C@H](CF)NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2116660845	VEZKIGYTCMLGBT-LURJTMIESA-N	313.738	0.360	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2O)cc1	1614994806	IVNNQUAQUXEQTK-WDEREUQCSA-N	323.367	0.537	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cccc([C@@H](C)O)c2)CCOC1	161088187	WKZLQEFQYLEPRJ-BXUZGUMPSA-N	315.391	0.824	70	10	DCIE	
O=C(NCC1(O)CCCCCC1)N[C@H]1CCc2ncnn2C1	161111443	SNGORERCMYPKFD-LBPRGKRZSA-N	307.398	0.977	70	10	DCIE	
CCC(=O)N1CC[C@@H](C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1	161111928	YEAJWPLFVYJEQE-MNOVXSKESA-N	321.343	0.998	70	10	DCIE	
C[C@@H](CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1ccncc1	160483158	LTOITSZHTPJBTB-WCQYABFASA-N	311.407	0.725	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)N2CCC([C@@H](C)O)CC2)[C@H](C)CO1	160876595	SATCWZAOAITFFX-IJLUTSLNSA-N	306.428	0.433	70	10	DCIE	
O=S(=O)(NCc1cccc2c1NCCC2)N1CCOCC1	159768530	YCWIKPPQLJBYHM-UHFFFAOYSA-N	311.407	0.711	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1C[C@H]2COC[C@@H]21	2143879876	SLCADSDLCKPHJS-UJNFCWOMSA-N	318.782	0.717	70	10	DCIE	
CCn1cc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)nc1O	2144731982	AHAZGAYCWIVRTI-QMMMGPOBSA-N	305.331	0.513	70	10	DCIE	
CCc1ccnc(C(=O)N2CCN(S(=O)(=O)F)CC2)c1	1974001368	RYBLNCDWHHMPEL-UHFFFAOYSA-N	301.343	0.616	70	10	DCIE	
Cn1ncc(Cl)c1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394442	JCYRGMPMMTZATH-UHFFFAOYSA-N	324.765	0.482	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1ncccc1O	1974401349	ASWPQRLEOYPDLK-UHFFFAOYSA-N	303.315	0.196	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CCS(=O)(=O)CCO2)n1	2172757458	BLPTTWWDWIAELD-UHFFFAOYSA-N	324.113	0.314	70	10	DCIE	
Cc1cnc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)c([B-](F)(F)F)c1	2172795519	JLYSTAUBLAJSGG-NXEZZACHSA-N	319.137	0.925	70	10	DCIE	
Cc1nc(N(C)C2CCS(=O)(=O)CC2)ncc1[B-](F)(F)F	2172766203	CNBJYFFOQQBABC-UHFFFAOYSA-N	322.141	0.853	70	10	DCIE	
COc1sc(C(=O)NC2COC2)cc1S(=O)(=O)Cl	2046687961	WKXZGNFDTPLFLH-UHFFFAOYSA-N	311.768	0.813	70	10	DCIE	
O=S1(=O)CC[C@@H](COc2c(F)cccc2[B-](F)(F)F)N1	2089980973	ZWOGDNFTUJPACL-ZETCQYMHSA-N	312.073	0.951	70	10	DCIE	
C[C@@H]1CCO[C@@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2096143717	RDLMOIWXQLMQJQ-RNFRBKRXSA-N	308.743	0.301	70	10	DCIE	
Cc1cc(S(=O)(=O)F)cc(C)c1OCCOCC(N)=O	2241013443	JMPWUILTBZWWCK-UHFFFAOYSA-N	305.327	0.842	70	10	DCIE	
CN(C(=O)Nc1cc(O)cc(O)c1)[C@@H]1CCS(=O)(=O)C1	217312178	MYHBZFNBTFZVNG-SECBINFHSA-N	300.336	0.749	70	10	DCIE	
C#CCNC(=O)[C@H](C)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215901804	CFOUUDHFSGJPTB-LURJTMIESA-N	320.714	0.029	70	10	DCIE	
C[C@H](CN(C)C)NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	163332795	GKVSNIXQRPEJTE-SECBINFHSA-N	324.399	0.573	70	10	DCIE	
COc1cc(NS(=O)(=O)[C@H](C)CO)cc(OC)c1OC	217296943	JCILVIYYCKBUSG-MRVPVSSYSA-N	305.352	0.835	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C[C@@H]3CC[C@H]2O3)[nH]1	1923158563	QYMCQSQQJYXGMJ-BIIVOSGPSA-N	303.315	0.006	70	10	DCIE	
CCc1ccc(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)o1	1923173464	HQECLLAHJHQIJC-UHFFFAOYSA-N	301.299	0.908	70	10	DCIE	
CN(C)CCn1ncc(Cl)c1[C@@H](N)[C@H]1CN2CCN1CC2	161354506	WYXMICRUDUQDAE-OLZOCXBDSA-N	312.849	0.098	70	10	DCIE	
CN[C@@H](CCN1CCS(=O)(=O)CC1)c1ccc(F)cn1	161237518	YDIOMTBDUMNQNL-LBPRGKRZSA-N	301.387	0.602	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)[C@@H]2CCC[C@@H]2F)C1	2079000277	CXTCJSGRZFJCNP-DTWKUNHWSA-N	303.352	0.438	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1CCCSCC1	2108154675	RDIREJUZCWFTLP-JTQLQIEISA-N	310.416	0.782	70	10	DCIE	
COc1ccc(N)c(C(=O)N2CC(CS(=O)(=O)F)C2)c1	2286911580	ZGCCPLIIYYEYOU-UHFFFAOYSA-N	302.327	0.649	70	10	DCIE	
O=C(Cn1cnc(S(=O)(=O)Cl)c1)NCC(F)(F)F	127504063	NGKSVUYSLYQNIK-UHFFFAOYSA-N	305.665	0.489	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2O3)c1S(=O)(=O)Cl	133537687	UGGQRRFOMNZQCM-RNJXMRFFSA-N	319.770	0.695	70	10	DCIE	
CCc1nnsc1C(=O)N1CCS(=O)(=O)C(C)(C)C1	159931592	HZSBRBHPNQNKHW-UHFFFAOYSA-N	303.409	0.750	70	10	DCIE	
O=S1(=O)CC[C@H]2CN(c3ncccc3[B-](F)(F)F)C[C@H]21	2116146186	UCNGYQMCHZFWJD-WCBMZHEXSA-N	305.110	0.759	70	10	DCIE	
C[C@H](O)CNCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1668214628	MOFXZQHMZLJASI-BDAKNGLRSA-N	321.374	0.152	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N(C)CCn1cccn1	160569426	PISRFIJLMRHLJP-UHFFFAOYSA-N	305.338	0.839	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@]2(C)CCO[C@H]2C)c1S(=O)(=O)Cl	235433084	JNXVCXRMYSHBHV-WRWORJQWSA-N	321.786	0.943	70	10	DCIE	
Cc1ccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)F)C2)nn1	2144732029	ASVCGAYBCNLJPH-VIFPVBQESA-N	323.371	0.237	70	10	DCIE	
COc1ccc(C(=O)N2CC(S(=O)(=O)F)C2)c(OC)c1	1968218647	YABFPAOJTDHXGK-UHFFFAOYSA-N	303.311	0.828	70	10	DCIE	
CCn1nc(C(=O)NCC2CN(S(=O)(=O)F)C2)cc1C	1974055577	SRVNBNWHKZHREJ-UHFFFAOYSA-N	304.347	0.087	70	10	DCIE	
COc1nc(N2CC(N3CC(F)C3)C2)ncc1[B-](F)(F)F	2172761704	ACEXUCXZJLSXAS-UHFFFAOYSA-N	305.064	0.382	70	10	DCIE	
CCn1nc(C)cc1C(=O)N1CC(CCS(=O)(=O)F)C1	2199698677	PXWQHDQKSZLPDG-UHFFFAOYSA-N	303.359	0.973	70	10	DCIE	
Cc1nc(Cl)cc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)n1	2088470321	WKOFINVBXGHZCM-ZETCQYMHSA-N	307.734	0.952	70	10	DCIE	
C[C@@H]1O[C@H](C)[C@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)[C@@H]1C	2287069816	RTEGOHLSGJCYCB-NZHYYXIDSA-N	308.375	0.451	70	10	DCIE	
C#CCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1C(C)C	215777701	ITRPWHNIJBTQHT-UHFFFAOYSA-N	303.771	0.683	70	10	DCIE	
COC(=O)C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)F)cc1	838092630	IXKFVSQPJDZEPZ-SSDOTTSWSA-N	318.278	0.632	70	10	DCIE	
O=C(NCC1CCN(S(=O)(=O)Cl)CC1)C(F)(F)F	1953572270	BCTMBLXWVBEDFZ-UHFFFAOYSA-N	308.709	0.861	70	10	DCIE	
C#CCNC[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1267963234	KHTBEXRJANWRBS-SNVBAGLBSA-N	313.354	0.500	70	10	DCIE	
Cc1cc(S(N)(=O)=O)sc1C(=O)NCc1cnn(C)c1	160947267	IZMYIHJFNJOSDG-UHFFFAOYSA-N	314.392	0.367	70	10	DCIE	
CS(=O)(=O)c1ccc(CCS(=O)(=O)F)c([N+](=O)[O-])c1	1951718542	ABNXJVIUZXCQBZ-UHFFFAOYSA-N	311.312	0.840	70	10	DCIE	
Cc1ccc(C(=O)N2CCN(S(=O)(=O)F)CC2)c(C)n1	1974015762	XPCPSTDHXXHCMD-UHFFFAOYSA-N	301.343	0.671	70	10	DCIE	
CCn1c([C@@H]2CCCS2(=O)=O)nnc1S(=O)(=O)Cl	694089334	UMQCVIKIASTWOH-LURJTMIESA-N	313.788	0.475	70	10	DCIE	
CO[C@@H]1COC[C@@H]1NC(=O)c1ccc(S(=O)(=O)Cl)cc1	2177284382	RDWVCRRXKRVMIG-WDEREUQCSA-N	319.766	0.758	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@](C)(F)C(F)(F)F)[nH]1	2191819429	CLBSJNCUQDQJTD-ZETCQYMHSA-N	321.227	0.729	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@](C)(F)C(F)(F)F)[nH]1	2191819428	CLBSJNCUQDQJTD-SSDOTTSWSA-N	321.227	0.729	70	10	DCIE	
CCCn1cccc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287074306	DDHMRDBDHNKMPO-JTQLQIEISA-N	303.359	0.917	70	10	DCIE	
CC(C)c1nc(S(=O)(=O)Cl)cn1CCS(C)(=O)=O	114178483	ORHGYWPQQFZTEQ-UHFFFAOYSA-N	314.816	0.979	70	10	DCIE	
CN([C@H](CN)c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1	218134513	VKAXLHHPRDXXKC-VXGBXAGGSA-N	312.391	0.534	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1[C@H](C)C(=O)NC(N)=O	215819576	LOMLLCZXPKLANQ-ZCFIWIBFSA-N	322.774	0.519	70	10	DCIE	
C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](N)C3)cc21	217837800	NAAWABIMFGIBJK-VHSXEESVSA-N	309.391	0.854	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2CC(C)(C)CO2)[nH]1	2166299227	GRJSFYHDRMTXLR-SSDOTTSWSA-N	305.331	0.254	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2C[C@H]2OC)c1S(=O)(=O)Cl	2131644053	GOEATPPYFAESNX-NKWVEPMBSA-N	307.759	0.417	70	10	DCIE	
O=C(c1cnc(Cl)nc1)N1CC(CCS(=O)(=O)F)C1	2134991133	VDNWSRQHDGEUFP-UHFFFAOYSA-N	307.734	0.891	70	10	DCIE	
C[C@@H](O)CN(C)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1485352967	PIKHDVULQBMPOV-RKDXNWHRSA-N	321.374	0.104	70	10	DCIE	
O=C(CCNS(=O)(=O)c1ccc(F)cc1)NC1(CO)CC1	160385552	XCTKGSPEBNKNEU-UHFFFAOYSA-N	316.354	0.135	70	10	DCIE	
C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@H](O)CN1CCCCC1	160662463	IQASJHMGYIFALS-JSGCOSHPSA-N	323.393	0.361	70	10	DCIE	
Cc1nc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c(=O)[nH]c1C	159538360	WTTXIFKADDXFIH-GHMZBOCLSA-N	322.409	0.616	70	10	DCIE	
Cc1cc(Cl)nc(CN2CCC[C@H](C(=O)NCCN)C2)n1	159739302	QEOJDUJXVMNXFM-NSHDSACASA-N	311.817	0.725	70	10	DCIE	
C=C1COC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1965840447	PYWVTGLJQXUELX-NSHDSACASA-N	321.351	0.578	70	10	DCIE	
CC(C)Cn1c(CCn2cnnn2)nnc1S(=O)(=O)Cl	2146558082	WTGVPSXNIZJCEY-UHFFFAOYSA-N	319.778	0.091	70	10	DCIE	
CCCS(=O)(=O)N1CCC(N[C@H](CC)C(=O)OC)CC1	159529284	VCPWXRMKWWHICF-GFCCVEGCSA-N	306.428	0.732	70	10	DCIE	
Cc1cnc(N2CCN(S(C)(=O)=O)CC2)c([B-](F)(F)F)c1	2172798420	SREDIJSJKDHBCW-UHFFFAOYSA-N	322.141	0.526	70	10	DCIE	
Cc1ncnc(N2C[C@H]3[C@@H](C2)OCCN3C)c1[B-](F)(F)F	2172757719	FUHUPHHHFHAGIK-VHSXEESVSA-N	301.101	0.359	70	10	DCIE	
O=C1C[C@@]2(CCCN3CCSC[C@@H]32)N1S(=O)(=O)Cl	717781008	IBIOMIRRUPMSPD-PSASIEDQSA-N	310.828	0.652	70	10	DCIE	
CCCc1[nH]nc(C(=O)N[C@@H]2C[C@H]2OC)c1S(=O)(=O)Cl	2188223523	MAGXXURQYMPKQT-HTQZYQBOSA-N	321.786	0.807	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)CCC(F)(F)F)C1	2065637662	BDNAHHRHVUFVAO-LURJTMIESA-N	313.294	0.642	70	10	DCIE	
CC(C)(C(=O)N1CCC(S(=O)(=O)F)CC1)S(C)(=O)=O	2088469348	LZMJSOMKAIETFV-UHFFFAOYSA-N	315.388	0.100	70	10	DCIE	
O=C(N1CCC[C@@H](S(=O)(=O)F)C1)C12COC(CF)(C1)C2	2202593387	VHRBLKSATSMYCS-OIKLOGQESA-N	309.334	0.795	70	10	DCIE	
CC1(OCC(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CCCC1	2287077343	WAMYWVZHTUCRAP-JTQLQIEISA-N	308.375	0.741	70	10	DCIE	
O=C(COC1CCCCC1)N[C@H]1CCN(S(=O)(=O)F)C1	2287065104	JAURLOLNEGKEEZ-JTQLQIEISA-N	308.375	0.741	70	10	DCIE	
C[C@H]1C[C@]2(CC(=O)N2S(=O)(=O)Cl)C[C@@H](C)S1(=O)=O	2327577245	JMDHZFRGWZLUCM-QMSLJYSESA-N	315.800	0.427	70	10	DCIE	
Cc1cccc(OCNC(=O)NCCN2CCNCC2)c1C	217291196	AWYXNAZEWZYDAV-UHFFFAOYSA-N	306.410	0.844	70	10	DCIE	
CO[C@@H]1[C@H](OC)CN(c2ncc([B-](F)(F)F)cn2)[C@H]1CF	2366546296	OMXCAWQHBBPMJN-AEJSXWLSSA-N	308.064	0.719	70	10	DCIE	
O=[S@@](CCn1cnnn1)Cc1ccc(S(=O)(=O)F)cc1	887371044	KRZUOXGVKULMFD-IBGZPJMESA-N	318.355	0.280	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1ccc(F)cc1N	161003560	QGVTWGKZWVVGAL-UHFFFAOYSA-N	318.370	0.570	70	10	DCIE	
NC(=O)c1c(F)cccc1Oc1ncccc1S(N)(=O)=O	160191450	PXPPMCWXAPWQDG-UHFFFAOYSA-N	311.294	0.759	70	10	DCIE	
C[C@H](NC(=O)Nc1cnn(CCN(C)C)c1)[C@H]1CN(C)CCO1	160238492	MUSSECHFTQSRCT-GXTWGEPZSA-N	324.429	0.285	70	10	DCIE	
O=C(c1snnc1C1CC1)N1CC[C@@H](S(=O)(=O)F)C1	1968236665	ZAYWMDPFBWLFLU-SSDOTTSWSA-N	305.356	0.929	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N(C)CCS(=O)(=O)N(C)C	2172798251	QWDOMIMLDQYDLM-UHFFFAOYSA-N	324.157	0.772	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCOC[C@@H]2[C@H]2CCOC2)nc1	2172785900	WPNNUJFBLCIZMW-GXSJLCMTSA-N	302.085	0.773	70	10	DCIE	
O=S1(=O)CCC[C@@H]2CN(c3ncc([B-](F)(F)F)cn3)C[C@H]21	2172783444	FMFSSFRHPRLZHX-PSASIEDQSA-N	320.125	0.544	70	10	DCIE	
CCc1[nH]nc(C(=O)N2C[C@H]3C[C@@H]3C2)c1S(=O)(=O)Cl	380730164	UHQUWYFKGNQIHW-RNFRBKRXSA-N	303.771	0.992	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1CCCC(=O)NC	2182342763	CNLCVXDKVYUMKG-UHFFFAOYSA-N	323.802	0.873	70	10	DCIE	
O=C(c1cc(O)nc(O)c1)N1CC(CCS(=O)(=O)F)C1	2199698748	QXTLBIIQYBMXRU-UHFFFAOYSA-N	304.299	0.254	70	10	DCIE	
CCCN(CCC)S(=O)(=O)N1CC(S(=O)(=O)F)C1	2078996141	CQSYEWOJBPAJFE-UHFFFAOYSA-N	302.393	0.337	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@]12CCC[C@@H]1CSC2	2201868893	CZCXZZXKYQQBKS-ZYHUDNBSSA-N	322.427	0.782	70	10	DCIE	
CS(=O)(=O)N1CCC[C@@H](Oc2ccc([B-](F)(F)F)cn2)C1	2285598793	DXVBMHZQDBNOKJ-SNVBAGLBSA-N	323.125	0.939	70	10	DCIE	
COCCn1c(C23COCC(C2)C3)nnc1S(=O)(=O)Cl	2288688875	PAAXRAHLLGQIJP-UHFFFAOYSA-N	321.786	0.530	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@H]1[C@@H]2CCO[C@@H]21	2355544100	LEWVTQLYBZCHGP-QXEWZRGKSA-N	318.782	0.717	70	10	DCIE	
CCN1N=C=N[C-]1CN1C#CN[C-]1I	725518123	PMXLSYXTFBIBQP-UHFFFAOYSA-N	301.091	0.606	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3CCO[C@H]32)c1S(=O)(=O)Cl	2120028985	KNXJQJAGRHXPLP-ATRFCDNQSA-N	305.743	0.163	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@@H](C)N(C)C	2121109738	IVFQLZOOOZRZIU-ZCFIWIBFSA-N	310.763	0.977	70	10	DCIE	
CC(C)(C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)C(F)(F)F	2271487262	GPURVWBVUZDWQA-LURJTMIESA-N	306.281	0.980	70	10	DCIE	
COC(=O)[C@H](NS(=O)(=O)N1C[C@H](C)O[C@H](C)C1)C(C)C	217806642	SAVCDSKUESOWES-OUAUKWLOSA-N	308.400	0.128	70	10	DCIE	
CCC[C@@H](C(=O)N1CCN(CC(=O)NC2CC2)CC1)N(C)C	161281384	DYNNAZIRNBMXSE-AWEZNQCLSA-N	310.442	0.140	70	10	DCIE	
Cc1cccc2[nH]c(CNC(=O)[C@H](C)NS(C)(=O)=O)nc12	160542915	FNZJDDQFCZCFQL-VIFPVBQESA-N	310.379	0.425	70	10	DCIE	
CCc1c(C(=O)N[C@H](C(=O)OC)C(C)C)[nH]c(C)c1C(N)=O	160577735	UTDDIQWGOOFILR-NSHDSACASA-N	309.366	0.912	70	10	DCIE	
Cc1nn(C)c(C)c1CC(=O)N1CCS(=O)(=O)C(C)(C)C1	159858806	PBCPKUZIUMANCB-UHFFFAOYSA-N	313.423	0.615	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cc(C)c(C)c(N)c2)CCOC1	159913484	MLXYMXGCGOVDCM-CQSZACIVSA-N	314.407	0.969	70	10	DCIE	
Cc1ncc(O[C@@H]2CCN(S(C)(=O)=O)C2)cc1[B-](F)(F)F	2148867464	JRPOAUHNDAQFRB-SECBINFHSA-N	323.125	0.857	70	10	DCIE	
CNC[C@H]1CCN(c2cnn(CCOC)c(=O)c2Cl)C1	159365402	XEXOIPRYJBNZIB-SNVBAGLBSA-N	300.790	0.589	70	10	DCIE	
COCCn1ncc(N2C[C@@H](C)N[C@H](C)C2)c(Cl)c1=O	159452647	NUXUAFKOUOAZQS-NXEZZACHSA-N	300.790	0.730	70	10	DCIE	
CCNC[C@@H](C)C(=O)Nc1cc(S(C)(=O)=O)ccc1O	160305076	NTJWULBEKUHSNW-SECBINFHSA-N	300.380	0.980	70	10	DCIE	
Cc1[nH]nc(C(=O)N2C[C@H]3OCC[C@@H]3C2)c1S(=O)(=O)Cl	2172083271	PIAOUZISYYZKHL-HTQZYQBOSA-N	319.770	0.507	70	10	DCIE	
N#CC1(CS(=O)(=O)N2CCC(S(=O)(=O)F)CC2)CCC1	2166366601	VGQOTGBLQUWVDR-UHFFFAOYSA-N	324.399	0.774	70	10	DCIE	
O=C(c1cccc([N+](=O)[O-])c1F)N1CC(S(=O)(=O)F)C1	2199683363	XYIAGMUVEIGENP-UHFFFAOYSA-N	306.246	0.858	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1COCCC1(F)F	2287067001	DOWJZSUGOYQOCS-SFYZADRCSA-N	316.301	0.063	70	10	DCIE	
CCC(CC)CCS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2337976585	QEBPQEIZYHGCGS-UHFFFAOYSA-N	316.420	0.631	70	10	DCIE	
O=C(N[C@H]1CO[C@@H]2COC[C@@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2354541437	XCERALRSBBEEBK-FKTZTGRPSA-N	320.754	0.086	70	10	DCIE	
COCC(=O)N1C[C@@H](Oc2ccccc2F)C[C@@H]1C(=O)OC	217900158	SXWIKUQMKCQDQF-CMPLNLGQSA-N	311.309	0.993	70	10	DCIE	
Cc1ccc(-c2nnc(CN3CC[C@@H](CO)[C@H](O)C3)o2)n1C	216794715	GKQORPNMYVZRIL-WCQYABFASA-N	306.366	0.559	70	10	DCIE	
C[C@@H](CS(=O)(=O)N1CC(CCS(=O)(=O)F)C1)C1CC1	2134981784	PAPISLKHQBNQOO-VIFPVBQESA-N	313.416	0.984	70	10	DCIE	
CSC[C@](C)(O)CNC1=NS(=O)(=O)c2ccccc21	217906939	PYXSYDLJEZWFFS-GFCCVEGCSA-N	300.405	0.839	70	10	DCIE	
C#CCN(C)[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1734054560	VVACNAPVJFNTFE-VIFPVBQESA-N	301.343	0.356	70	10	DCIE	
N[C@H]1CCC[C@@H](CCC(=O)N[C@@H]2CCCS(=O)(=O)C2)C1	161035369	BYZUJDDPMVBKPK-RWMBFGLXSA-N	302.440	0.978	70	10	DCIE	
CN(C)c1cccc(CNC(=O)N[C@H]2CCc3ncnn3C2)n1	161402302	MFKNVVDAAHOBHL-LBPRGKRZSA-N	315.381	0.553	70	10	DCIE	
C[C@H](Oc1cccc(CO)c1)C(=O)NC[C@H](C)N1CCOCC1	161483261	VONWGQQNGIWFBK-KBPBESRZSA-N	322.405	0.783	70	10	DCIE	
CCN(C(=O)c1cc(N)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1	159658238	IFWIJRRIOOADPZ-GFCCVEGCSA-N	312.391	0.927	70	10	DCIE	
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cnc2c(c1)ncn2C	159704662	WSDLXZVWHQWIBI-NXEZZACHSA-N	301.350	0.694	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C[C@H]2C[C@@H]2CO1	1974395006	SQZIYCCOELTSSK-KKZNHRDASA-N	306.359	0.206	70	10	DCIE	
CCC[C@H](CN)Nc1cnn(CC(=O)OC)c(=O)c1Cl	159595514	UGGOZMMIVLFWEB-MRVPVSSYSA-N	302.762	0.609	70	10	DCIE	
Cc1cc(C(N)=S)cc(N2CCN(S(C)(=O)=O)CC2)n1	161302215	AGVLPQCWTNTMQT-UHFFFAOYSA-N	314.436	0.106	70	10	DCIE	
CC1(C)CCCN(S(=O)(=O)NCCS(=O)(=O)Cl)C1	2032667999	LDOORRURQRZPDA-UHFFFAOYSA-N	318.848	0.511	70	10	DCIE	
Cc1cc(C)n(CC(=O)N2CC(CCS(=O)(=O)F)C2)n1	2199698283	NUTSYJMLQKZOFW-UHFFFAOYSA-N	303.359	0.648	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccc(O)c(Cl)c1	2268796842	MSRHTLSPHFPIQZ-UHFFFAOYSA-N	308.718	0.674	70	10	DCIE	
C[C@]1(C(F)(F)F)C[C@@H]1C(=O)NC1CN(S(=O)(=O)F)C1	2268805782	NPWTWSYFMFMJHB-SVRRBLITSA-N	304.265	0.590	70	10	DCIE	
COCc1nc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cs1	2287078350	ZZRWGOQPEKCODK-ZETCQYMHSA-N	323.371	0.308	70	10	DCIE	
Cc1cc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)ncc1[B-](F)(F)F	2336507661	DXBQDKMHFXNYDX-WCBMZHEXSA-N	305.110	0.678	70	10	DCIE	
Cc1nn(CC(=O)NCC2CC2)c(C)c1S(=O)(=O)Cl	215886937	BDVCTCHKVQLUIE-UHFFFAOYSA-N	305.787	0.954	70	10	DCIE	
COCCn1nnnc1Sc1ncncc1[B-](F)(F)F	2116093040	QOFKUHCLNREKEC-UHFFFAOYSA-N	305.074	0.315	70	10	DCIE	
O=C(NC[C@@H]1OCC[C@@H]1F)c1cc(S(=O)(=O)Cl)c[nH]1	2122554114	XWNSAYOSHXKJQN-CBAPKCEASA-N	310.734	0.799	70	10	DCIE	
Cn1ncc([N+](=O)[O-])c1-c1nnc(S(=O)(=O)Cl)n1C	2129977226	IKGZMMMPVIRGGP-UHFFFAOYSA-N	306.691	0.051	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1CCN1CCNC1=O	112309618	BYDVLVUJALJNDN-UHFFFAOYSA-N	320.802	0.788	70	10	DCIE	
Cc1nc(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)c(C)s1	1923158371	NVGZSBMLNCOWFB-UHFFFAOYSA-N	318.355	0.826	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ccncc2F)[nH]1	1923172675	AYGXTCDKHFEFDN-UHFFFAOYSA-N	302.262	0.287	70	10	DCIE	
CC[C@@H](COC)NS(=O)(=O)c1ccc(C(=O)NC)cc1	160284773	SSYCLRQWQYBKHD-NSHDSACASA-N	300.380	0.750	70	10	DCIE	
CCn1nccc1[C@@H](O)C[C@H]1CCCN(S(C)(=O)=O)C1	160328590	DHWZXULVCBFIHM-YPMHNXCESA-N	301.412	0.998	70	10	DCIE	
O=C(c1cc(O)nc(O)c1)N1CCC[C@@H](S(=O)(=O)F)C1	2144731973	AEZJYMGWCFYHMP-MRVPVSSYSA-N	304.299	0.397	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccc([N+](=O)[O-])s1	1974060896	YDTAICACVVZGLG-UHFFFAOYSA-N	323.327	0.532	70	10	DCIE	
C#CC[C@@H](C(=O)NC1CCN(S(=O)(=O)F)CC1)C1CC1	2196799906	GFSFMBJSSDRETD-GFCCVEGCSA-N	302.371	0.831	70	10	DCIE	
CO[C@@H](C)CCS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2109250391	VRHSXJFICNOGMS-VHSXEESVSA-N	317.404	0.505	70	10	DCIE	
CC(C)n1cnnc1S(=O)(=O)CCS(=O)(=O)Cl	2215019870	SIWKJJCRHUEHFB-UHFFFAOYSA-N	301.777	0.201	70	10	DCIE	
NC(=O)COCCOc1ccc(S(=O)(=O)F)cc1Cl	2232235269	SBIHNRNHKZYBDT-UHFFFAOYSA-N	311.718	0.879	70	10	DCIE	
Cc1ncnc(C)c1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287065809	QZLGYYBDBDRSHR-SECBINFHSA-N	302.331	0.112	70	10	DCIE	
CCOc1ncccc1C(=O)NC[C@@H](O)Cn1ccccc1=O	218440487	RSDZHNMUGOIIBA-GFCCVEGCSA-N	317.345	0.433	70	10	DCIE	
CN(C[C@H]1CC[C@@H](CNC2CC2)O1)[C@@H]1CCS(=O)(=O)C1	216693526	OLXLKRXSRONJTN-HZSPNIEDSA-N	302.440	0.405	70	10	DCIE	
C[C@@H](CCS(C)(=O)=O)N(C)c1ncncc1[B-](F)(F)F	2116140746	QQKRRIGTOMVGOQ-QMMMGPOBSA-N	310.130	0.790	70	10	DCIE	
CCNCc1cc(S(=O)(=O)NCCCN(C)C)c(C)o1	217445825	YCEKYKQWMHUBHR-UHFFFAOYSA-N	303.428	0.928	70	10	DCIE	
CCn1c(S(=O)(=O)Cl)nnc1[C@]12CO[C@](CF)(C1)C2	2137853480	LJDVADRMAVOEMU-MGCOHNPYSA-N	309.750	0.996	70	10	DCIE	
CNC(=O)CN(C)c1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	1639197813	IVAVOZMDTVUUHH-UHFFFAOYSA-N	319.314	0.576	70	10	DCIE	
COCCn1ccc(NC(=O)CNC(=O)c2cccnc2)n1	160260194	AIVXHZJYFPYJHQ-UHFFFAOYSA-N	303.322	0.293	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)[C@@](C)(CC)C(N)=S	159777322	DPMHRFWXVQGRQH-HZMBPMFUSA-N	315.439	0.442	70	10	DCIE	
C[C@@H]1C[C@H](CN)CN1c1cnn(CCN(C)C)c(=O)c1Cl	159981501	FKWXMLURCZMFIU-GHMZBOCLSA-N	313.833	0.632	70	10	DCIE	
CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](S(=O)(=O)F)C1	1968234988	HLBQYIZHBCWARO-GHMZBOCLSA-N	306.359	0.288	70	10	DCIE	
O=S1(=O)C[C@H]2CCN(c3ncc([B-](F)(F)F)cc3F)[C@H]2C1	2172792503	RZEKDZWXLBHLBD-XCBNKYQSSA-N	323.100	0.898	70	10	DCIE	
Cc1nc(N2CC(N3CCOCC3)C2)ccc1[B-](F)(F)F	2172781415	DNGZWFLHLKWABC-UHFFFAOYSA-N	300.113	0.965	70	10	DCIE	
Cc1nc(N2CC(C)(CS(C)(=O)=O)C2)ncc1[B-](F)(F)F	2173178952	LVEQCDWOLAMDEL-UHFFFAOYSA-N	322.141	0.710	70	10	DCIE	
CCCn1c([C@@H]2COCCN2C)nnc1S(=O)(=O)Cl	2099567200	XQSPCNASHXKAJA-QMMMGPOBSA-N	308.791	0.619	70	10	DCIE	
COC1(C(=O)NCC2CN(S(=O)(=O)F)C2)CC(CF)C1	2281077578	BSLBCCXADCTASH-UHFFFAOYSA-N	312.338	0.013	70	10	DCIE	
O=C(OC[C@@H]1COCCO1)c1ccc(S(=O)(=O)F)cc1	490537175	PACVCGKRJGQPPH-JTQLQIEISA-N	304.295	0.917	70	10	DCIE	
COCCn1c(-c2cn[nH]c2C)nnc1S(=O)(=O)Cl	133331584	YFIQUXQLCVNUSC-UHFFFAOYSA-N	305.747	0.551	70	10	DCIE	
C[C@]12C[C@H](C1)[C@H](C(=O)NCC1CN(S(=O)(=O)F)C1)CO2	2362913460	UKBQOERFOGOWGZ-FOGDFJRCSA-N	306.359	0.064	70	10	DCIE	
O=C(C1C[C@@H]2[C@@H](C1)C2(F)F)N1CCN(S(=O)(=O)F)CC1	2163668477	XRJXBHFXRVUKOC-RKDXNWHRSA-N	312.313	0.636	70	10	DCIE	
CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Cl)cc1C(=O)O	215621615	RRGXTGPCANGANR-LURJTMIESA-N	321.738	0.826	70	10	DCIE	
COC[C@@H](O)CCNC(=O)C[C@H](NC(C)=O)c1ccccc1	160880443	RDECCRSAIAEISW-GJZGRUSLSA-N	308.378	0.768	70	10	DCIE	
CN1CCO[C@@H]2CN(C(=O)c3cc(-c4ccco4)[nH]n3)C[C@@H]21	159695126	MYGSXEHUPOAQOX-GXTWGEPZSA-N	302.334	0.825	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1C(=O)C1(C(N)=S)CC(C)C1	159773281	KVTZLTQIQBVWDW-OPASDULOSA-N	313.423	0.052	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1cccc(F)c1C(N)=S	159791308	BYYNPBXSVGLEMU-LLVKDONJSA-N	311.382	0.801	70	10	DCIE	
Cn1cc(S(=O)(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)nn1	1879789823	VVZHNDJKUVZMTG-CBAPKCEASA-N	309.102	0.817	70	10	DCIE	
CS(=O)(=O)c1ccc(C(=O)N2CC(S(=O)(=O)F)C2)cc1	1968217494	LYLVVQDUCOLWFW-UHFFFAOYSA-N	321.351	0.214	70	10	DCIE	
C[C@H]1OC2(C)CC1(C(=O)N1CCN(S(=O)(=O)F)CC1)C2	1974013830	AUIBWGZESZQIAM-OIKLOGQESA-N	306.359	0.303	70	10	DCIE	
COc1cccc(C(=O)N2CCN(S(=O)(=O)F)CC2)c1	1974000999	KWSIJAOYUFOUAT-UHFFFAOYSA-N	302.327	0.667	70	10	DCIE	
COCCn1c(C[C@@H]2CO[C@@H](C)C2)nnc1S(=O)(=O)Cl	2159411033	HHRRWYRVMWSLSR-DTWKUNHWSA-N	323.802	0.820	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2C3COCC2COC3)n1	2172764133	YWZREZQLCNYUNY-UHFFFAOYSA-N	302.085	0.752	70	10	DCIE	
Cc1nc(N2CC[C@H](NS(C)(=O)=O)C2)ccc1[B-](F)(F)F	2172782386	QMZDCWKRWNOUKT-VIFPVBQESA-N	322.141	0.572	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@]2(C)CCOC2)c1S(=O)(=O)Cl	397223133	HOSOLBSXQSWPSK-NSHDSACASA-N	321.786	0.802	70	10	DCIE	
CN1CC(COc2ccc(C(=O)O)cc2S(=O)(=O)F)C1	2199528518	ANVUDZWSLPOIRK-UHFFFAOYSA-N	303.311	0.983	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@]23CC[C@@H](CO2)C3)[nH]1	2199145973	YKMNHORFBFIJIC-HQJQHLMTSA-N	303.315	0.008	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1csc(Cl)n1	2258997374	WKRLHWKGFNEWMP-YFKPBYRVSA-N	313.763	0.815	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1CCS(C)(=O)=O	114180706	RRSGFDHNUWTNOC-UHFFFAOYSA-N	314.816	0.808	70	10	DCIE	
CCO[C@@H]1C[C@H]1c1nnc(S(=O)(=O)Cl)n1CCOC	689948279	DGYHJTRGRZQQTL-HTQZYQBOSA-N	309.775	0.744	70	10	DCIE	
O=C1C[C@@H](Nc2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)CN1	1307083567	PPIWFYNXJUAEFJ-MRVPVSSYSA-N	317.298	0.695	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1C[C@H]2C[C@H]1CS2(=O)=O	2116149996	KRHDRHFPQCVCKO-VHSXEESVSA-N	305.110	0.820	70	10	DCIE	
CCCn1cc(S(=O)(=O)NCCCN(C)C)cc1CN	217460554	KDVPUKLMEDBOJN-UHFFFAOYSA-N	302.444	0.587	70	10	DCIE	
Cc1[nH]nc(C(=O)NCC2CCOCC2)c1S(=O)(=O)Cl	115803755	FBFJPQHNUUPVGP-UHFFFAOYSA-N	321.786	0.802	70	10	DCIE	
C#C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	1472792438	VKWGMOOGJLCFFC-VIFPVBQESA-N	302.283	0.800	70	10	DCIE	
COCCC[C@@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O	160311112	AVYAUMYWTCRODI-SNVBAGLBSA-N	316.379	0.488	70	10	DCIE	
Cn1ncc(N2CC[C@H](N3CCC(N)CC3)C2)c(Cl)c1=O	159821849	DTPVBJGDJWSSGB-NSHDSACASA-N	311.817	0.436	70	10	DCIE	
CCOC(=O)CN(C)CCS(=O)(=O)c1ccc(CN)cc1	159892809	ADDPLCLIDUQPFP-UHFFFAOYSA-N	314.407	0.414	70	10	DCIE	
C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](S(=O)(=O)F)C1	2144732834	JWBAWAAAPLFIMV-IUCAKERBSA-N	308.375	0.437	70	10	DCIE	
O=C(N[C@@]12CCOC[C@@H]1C2)c1cc(S(=O)(=O)Cl)c[nH]1	1880189587	YFMVOQUMYAYNOY-WRWORJQWSA-N	304.755	0.851	70	10	DCIE	
Cc1cccc(O)c1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001739	ZXBRDYZWHMVAAJ-UHFFFAOYSA-N	302.327	0.673	70	10	DCIE	
COCCn1ncc(N2C[C@H](C)NC[C@@H]2C)c(Cl)c1=O	159570435	DHYRDDYVJOHTBZ-UWVGGRQHSA-N	300.790	0.730	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)CC(F)(F)F)C1	2028130104	PCRSWRXYCJEWBM-ZCFIWIBFSA-N	313.294	0.642	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1C[C@@H]2CS(=O)(=O)C[C@H]2C1	2172777966	JPUHMJLQCVVQDM-NXEZZACHSA-N	319.137	0.925	70	10	DCIE	
CC1(C)CC(CS(=O)(=O)NCCS(=O)(=O)Cl)C1	723795634	PJYYRMMPVQIYMX-UHFFFAOYSA-N	303.833	0.911	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CCNC1=O	2185182599	LGEROERIJYZLEW-MRVPVSSYSA-N	321.786	0.483	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)Cc2cnsc2)n1	2265440276	HFOXLFIIGNTCJH-UHFFFAOYSA-N	304.328	0.716	70	10	DCIE	
COc1ccc(S(=O)(=O)Cl)cc1CNS(C)(=O)=O	100588123	YRGOSTWYICDPHL-UHFFFAOYSA-N	313.784	0.672	70	10	DCIE	
C[C@H]1CCCCN1S(=O)(=O)NCCS(=O)(=O)Cl	124145592	MZABHCXAXNBASW-QMMMGPOBSA-N	304.821	0.264	70	10	DCIE	
COc1ccc(/C=C/NC(=O)NCCN2CCNCC2)cc1	218152525	COYCFOTXTXTTFU-VOTSOKGWSA-N	304.394	0.870	70	10	DCIE	
C[C@H](C(=O)N1CCOCC1)n1cnc(S(=O)(=O)Cl)c1	215707932	RGVJUKVQVXJEMV-MRVPVSSYSA-N	307.759	0.230	70	10	DCIE	
O=S(=O)(NC1CCN(S(=O)(=O)F)CC1)C1CC=CC1	2132437281	QKLUGTOGJDCZNV-UHFFFAOYSA-N	312.388	0.303	70	10	DCIE	
CNCc1ccc(S(=O)(=O)NCCCN(C)C)c(F)c1	217475229	AAGXIHVSNQLJFJ-UHFFFAOYSA-N	303.403	0.775	70	10	DCIE	
COc1csc(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)c1	1923179181	YGFWHRMGQQYTER-UHFFFAOYSA-N	319.339	0.823	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@@H]2CCOC2)c1S(=O)(=O)Cl	115802110	BEDSUPZDHDIYJQ-ZETCQYMHSA-N	321.786	0.666	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ccc(Cl)nc2)[nH]1	1923157920	HXTKEYMDRLVSEF-UHFFFAOYSA-N	318.717	0.801	70	10	DCIE	
CS(=O)(=O)CC1(CC(=O)N2C[C@@H]3CCC[C@H](C2)N3)CC1	159928695	AVERFCDICUZWLY-TXEJJXNPSA-N	300.424	0.554	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1C(=O)c1csc([C@H](C)N)n1	159546568	XPRHNFYOSCQNGK-WPRPVWTQSA-N	312.395	0.140	70	10	DCIE	
Cn1cccc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)c1=O	1968228349	XEFAACQVRGMYQQ-SECBINFHSA-N	302.327	0.289	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1ccnc(Cl)c1	161499417	WYKKTQQIADNTMN-UHFFFAOYSA-N	320.798	0.897	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1CCC(=O)N(C)C	302346603	VRTPXBQCBYUUTN-UHFFFAOYSA-N	324.746	0.506	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1C[C@H]2CCO[C@H]2C1	2172080570	ANEWWDZXCRMVDY-KCJUWKMLSA-N	318.782	0.814	70	10	DCIE	
COCCN(CCOC)c1ncc([B-](F)(F)F)c(OC)n1	2172766941	NQVVEYZKPBGVPK-UHFFFAOYSA-N	308.089	0.639	70	10	DCIE	
CN(CC1[C@@H]2CS(=O)(=O)C[C@@H]12)c1ncncc1[B-](F)(F)F	2174650600	XLRAKIGIHDOWNZ-IUCAKERBSA-N	320.125	0.258	70	10	DCIE	
Cc1nc(OC[C@@H](C)N2CCOCC2)ncc1[B-](F)(F)F	2186848986	HBKCNZQFEOPFJS-SECBINFHSA-N	304.101	0.939	70	10	DCIE	
CC[C@H](CC(F)(F)F)C(=O)NC1CN(S(=O)(=O)F)C1	2268809168	KPJBPFSDEWJCJG-ZCFIWIBFSA-N	306.281	0.980	70	10	DCIE	
N#Cc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)c(F)c1	2284150901	NARLLAFYJKMEIJ-UHFFFAOYSA-N	301.274	0.326	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)CCc1ccccc1	124139753	XEEZEFFRJUGDQB-UHFFFAOYSA-N	311.812	0.717	70	10	DCIE	
O=S1(=O)CC[C@H]2CN(c3ncncc3[B-](F)(F)F)C[C@@H]21	2116150074	LLAPYPRQVLRBDA-CBAPKCEASA-N	306.098	0.154	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCS(=O)(=O)[C@@H](C)C2)n1	2116132727	TZAYPAXYOSEPHJ-ZETCQYMHSA-N	308.114	0.463	70	10	DCIE	
CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1	1349067029	LZZILTBLKLHVCA-NEPJUHHUSA-N	315.370	0.982	70	10	DCIE	
Cn1cc(Cl)c(C(=O)N2CC(CCS(=O)(=O)F)C2)n1	2134973575	STQKACYSUGAGOH-UHFFFAOYSA-N	309.750	0.835	70	10	DCIE	
CCN(CCNC[C@@H](C)O)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1273609988	GUHQCXGFAQUWLQ-SECBINFHSA-N	321.374	0.105	70	10	DCIE	
CCc1nc2n(n1)C[C@H](NC(=O)N1CCC([C@@H](C)O)CC1)CC2	160056955	AOIDNMAGQDOFDB-DGCLKSJQSA-N	321.425	0.958	70	10	DCIE	
COCc1ccc(C(=O)NC[C@@H]2C[C@H]2C)cc1S(N)(=O)=O	160325206	RHLJVJAPGGNHOR-SKDRFNHKSA-N	312.391	0.866	70	10	DCIE	
CCCNC(=O)CN(C)c1ccc(S(=O)(=O)NC)c(N)c1	159588388	KFDHYDBPCBHIFR-UHFFFAOYSA-N	314.411	0.139	70	10	DCIE	
CC(=O)Nc1nc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)cs1	1968236559	XRDICIYUXHACTM-SSDOTTSWSA-N	321.355	0.615	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)CCc2ccncc2)C1	2144734231	YMURLJGSYHWJCE-LLVKDONJSA-N	322.383	0.328	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc(N)c(C)c2)CCOC1	159908163	BHEHNDMKYHJJHC-CYBMUJFWSA-N	300.380	0.661	70	10	DCIE	
C[C@@]1(C[C@@H]2CCCS2(=O)=O)CC(=O)N1S(=O)(=O)Cl	2039058163	KWOQMEANGAFSTC-IONNQARKSA-N	315.800	0.428	70	10	DCIE	
COCCn1c([C@@H]2C[C@@]23CCOC3)nnc1S(=O)(=O)Cl	2156717639	CTUJRRLHRPTWPY-GZMMTYOYSA-N	321.786	0.746	70	10	DCIE	
CO[C@@H](Cn1cc(S(=O)(=O)Cl)c(O)nc1=O)C(C)C	312028014	MUMWTPCZELVZLK-ZETCQYMHSA-N	310.759	0.547	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cn1)[C@H]1CCCS(=O)(=O)CC1	2172785524	LIGKSMZGWXXTRV-JTQLQIEISA-N	322.141	0.935	70	10	DCIE	
CO[C@H](C)CCS(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2046886141	NQMNOAJPZKXRCA-RKDXNWHRSA-N	303.377	0.115	70	10	DCIE	
C[C@H](C(=O)Nc1ccc(S(=O)(=O)F)nc1)S(C)(=O)=O	2110216689	UQKHJOAIORXOCX-ZCFIWIBFSA-N	310.328	0.111	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C1(Br)CC1	2244562519	VBGWYSSKLXBKSJ-ZCFIWIBFSA-N	315.164	0.319	70	10	DCIE	
C[C@H]1CCC[C@@H](CS(=O)(=O)NCCS(=O)(=O)Cl)O1	2316694075	NIHAZSWKXPIKMV-IUCAKERBSA-N	319.832	0.432	70	10	DCIE	
O=S(=O)(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCC[C@H]1F	2334652191	MQYDWOJMKUPBPL-YIZRAAEISA-N	318.367	0.085	70	10	DCIE	
COC(=O)CNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	217287632	PWXHCEJOHXXPKH-GFCCVEGCSA-N	305.334	0.260	70	10	DCIE	
O=C(C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12)N1CCN(S(=O)(=O)F)CC1	2163657040	VOIADWGCZMPMCO-NAKRPEOUSA-N	302.371	0.637	70	10	DCIE	
COc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)ccn1	2166951070	VTFAICCLBBIJRI-SNVBAGLBSA-N	302.327	0.994	70	10	DCIE	
O=S1(=O)CC[C@H]2CN(c3ccncc3[B-](F)(F)F)C[C@@H]21	2116143522	BFSYIYNPFZTJRE-KWQFWETISA-N	305.110	0.759	70	10	DCIE	
O=C(N[C@H]1[C@H]2COC[C@H]21)c1ccc(S(=O)(=O)Cl)cc1	2118027274	ZGEDODAIYVXSCO-JGPRNRPPSA-N	301.751	0.989	70	10	DCIE	
CC(F)(F)[C@@H]1C[C@@H]1CS(=O)(=O)N1CC(S(=O)(=O)F)C1	2134971691	RWAOPOWOIVDIIP-HTRCEHHLSA-N	321.342	0.591	70	10	DCIE	
CC[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC#N	1714105442	AATSVQCMOPMFJL-MRVPVSSYSA-N	302.331	0.294	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)Cc1ccccc1N	161004872	COOZYYBVWOCPRP-UHFFFAOYSA-N	314.407	0.572	70	10	DCIE	
NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)c2ccc3c(c2)CCC3)O1	161489326	HLSKYAYCRICCKY-ZIAGYGMSSA-N	316.357	0.507	70	10	DCIE	
CCNc1nnc(CN2CCOC[C@@H]2C(=O)NC(C)C)s1	160396809	LNDFWCOVGDWMBY-SNVBAGLBSA-N	313.427	0.695	70	10	DCIE	
COC1(C(=O)NCC2CN(S(=O)(=O)F)C2)CCCCC1	1974059737	OJJQMXHXAIVRGI-UHFFFAOYSA-N	308.375	0.598	70	10	DCIE	
COCCn1c([C@H]2C[C@@H]2Cl)nnc1S(=O)(=O)Cl	2020455779	DWDMDOTTXBYCAH-WDSKDSINSA-N	300.167	0.947	70	10	DCIE	
Cc1nc(N2CC[C@H]3OCCO[C@@H]3C2)ncc1[B-](F)(F)F	2172769494	YMKLBNJJKJFETJ-GHMZBOCLSA-N	302.085	0.834	70	10	DCIE	
O=S(=O)(NCC1CN(S(=O)(=O)F)C1)c1ccsc1	2045941581	YTBYKKUFBMNLLV-UHFFFAOYSA-N	314.385	0.173	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)c2cccnc2F)C1	2088473116	XNWAGLOBVDDUBI-SSDOTTSWSA-N	312.319	0.283	70	10	DCIE	
O=C(C[C@@H]1C[C@H]1C(F)(F)F)NC1CN(S(=O)(=O)F)C1	2268795879	JIQCAUSUQNGCIA-CAHLUQPWSA-N	304.265	0.590	70	10	DCIE	
CS(=O)(=O)[C@H]1C[C@@H](COC(=O)NS(=O)(=O)Cl)C1	2307804084	OOOAESRJWCLPPM-OLQVQODUSA-N	305.761	0.019	70	10	DCIE	
COc1nn(C[C@@H](C)C(=O)O)c(OC)c1S(=O)(=O)Cl	2339815400	IQLXAXPMVYSYTQ-RXMQYKEDSA-N	312.731	0.549	70	10	DCIE	
Cc1[nH]nc(C(=O)NC2CCOCC2)c1S(=O)(=O)Cl	115019391	RGEBVKAJHFVPDV-UHFFFAOYSA-N	307.759	0.554	70	10	DCIE	
CS(=O)(=O)Nc1ccc(NC(=O)NCCCNC=O)cc1	217282802	CLLNSKMFRKPKLP-UHFFFAOYSA-N	314.367	0.316	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2C[C@H](OC)C2)c1S(=O)(=O)Cl	706671929	HXDSXXIYAGPOSU-LJGSYFOKSA-N	321.786	0.807	70	10	DCIE	
O=C(N[C@H]1C[C@]12CCOC2)c1cc(S(=O)(=O)Cl)c[nH]1	1896356488	BSUADSFKIGUJKJ-ONGXEEELSA-N	304.755	0.851	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1[C@@H]1CCNC1=O	2125953808	NHJDYWMTVHMDPC-SSDOTTSWSA-N	307.759	0.408	70	10	DCIE	
CC#CCNC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1275309961	STMADUZJNZTFEH-VIFPVBQESA-N	301.343	0.404	70	10	DCIE	
COCCN(C)[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1275928383	KPIFPNBXUHHMSF-VIFPVBQESA-N	321.374	0.369	70	10	DCIE	
NC(=O)NC(=O)Cn1cc(S(=O)(=O)Cl)c2ccccc21	215919632	XVTXJZKPRLOWSN-UHFFFAOYSA-N	315.738	0.764	70	10	DCIE	
Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)nc3)C2)cn1	160323440	MGMWPYVFNHBNIY-SNVBAGLBSA-N	317.324	0.909	70	10	DCIE	
COC[C@@H](C)S(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	159382735	DVMVVIKUESILAQ-MNOVXSKESA-N	316.427	0.671	70	10	DCIE	
CCc1c(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)cnn1C	2152894550	BQFJLQJSAAGSKY-SECBINFHSA-N	303.359	0.886	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CCN(CCCCS(=O)(=O)Cl)C1	2027166394	IBVDGVKZDIPRSC-SNVBAGLBSA-N	317.860	0.702	70	10	DCIE	
Cc1[nH]nc(C(=O)N2C[C@H]3CCO[C@H]3C2)c1S(=O)(=O)Cl	2172083277	PIAOUZISYYZKHL-SFYZADRCSA-N	319.770	0.507	70	10	DCIE	
CC[C@H]1COC[C@@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	699751825	LVUURCWOUGDEGE-YUMQZZPRSA-N	321.786	0.800	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@]23CCOC3)c1S(=O)(=O)Cl	2198310646	KLPROWUNXKPGHE-HQJQHLMTSA-N	319.770	0.554	70	10	DCIE	
Cn1ncc2cc(C(=O)NC3CN(S(=O)(=O)F)C3)sc21	2284149627	BVFMFJJQYZWXHE-UHFFFAOYSA-N	318.355	0.263	70	10	DCIE	
COCC(=O)N1C[C@@H](Oc2ccccc2F)C[C@H]1C(=O)OC	217900296	SXWIKUQMKCQDQF-JQWIXIFHSA-N	311.309	0.993	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCN(c2nncs2)CC1	2362068710	TYBOBNFGRTTYPY-UHFFFAOYSA-N	315.113	0.709	70	10	DCIE	
O=C(Nc1ccc(=O)[nH]n1)N1CCN(c2ccccn2)CC1	217304069	VAFAXSLVFJPTRH-UHFFFAOYSA-N	300.322	0.519	70	10	DCIE	
C[C@@H]1CCC[C@H]1S(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2118899123	WVCAFVJOXOZYQY-NXEZZACHSA-N	314.404	0.337	70	10	DCIE	
COC[C@H](O)CN(C)S(=O)(=O)c1ccc([C@@H](C)N)cc1	218037384	VNKBCVFSNYLBPF-ZYHUDNBSSA-N	302.396	0.334	70	10	DCIE	
Cc1ccc(S(=O)(=O)N(C)CC2(O)CCOCC2)c(N)c1	161024462	MUAQAWJABDRLQA-UHFFFAOYSA-N	314.407	0.739	70	10	DCIE	
Cc1cc(C[C@H](C)NC(=O)CCCN2C(=O)CN(C)C2=O)n[nH]1	161084826	NWJCPZDGBHOKAT-JTQLQIEISA-N	321.381	0.440	70	10	DCIE	
N#CCC1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	1972723280	DSRXWUHQUXPFMZ-UHFFFAOYSA-N	318.351	0.879	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@]23COC[C@@H]2C3)c1S(=O)(=O)Cl	718100555	RAUDHQGPLVUTBB-QUBYGPBYSA-N	305.743	0.164	70	10	DCIE	
O=S1(=O)CCC[C@]12CCN(c1ncncc1[B-](F)(F)F)C2	2172783772	JLNCYWPLMFNERT-LLVKDONJSA-N	320.125	0.689	70	10	DCIE	
CN1C(=O)C[C@@H](Oc2ccc(S(=O)(=O)F)cc2F)C1=O	2191427004	WSNBXFPWTDGONS-SECBINFHSA-N	305.258	0.620	70	10	DCIE	
O=C([C@@H]1CCc2nc[nH]c2C1)N1CC(CS(=O)(=O)F)C1	2199682911	QTZNWYSECDPASD-SECBINFHSA-N	301.343	0.272	70	10	DCIE	
CC[C@@]1(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CC1(F)F	2271498692	TZJGMEQYEOHCGR-APPZFPTMSA-N	300.302	0.827	70	10	DCIE	
COc1ncc(Cl)cc1C(=O)N1CC(S(=O)(=O)F)C1	2224764627	FAMSGLZIEJJGOU-UHFFFAOYSA-N	308.718	0.867	70	10	DCIE	
CC(C)(C)c1nc(C(=O)NC2CN(S(=O)(=O)F)C2)co1	2284150261	INLUNAZLWNAYRF-UHFFFAOYSA-N	305.331	0.600	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccc(F)cc1O	2287078292	ZNYATCVBMQPEHX-MRVPVSSYSA-N	306.290	0.550	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1snnc1C1CCC1	2360900355	JVXRMOOXLIYYHB-UHFFFAOYSA-N	320.371	0.434	70	10	DCIE	
CCCN(CCS(C)(=O)=O)c1ncc([B-](F)(F)F)cn1	2116142018	HHLMUPVNTVXGLB-UHFFFAOYSA-N	310.130	0.792	70	10	DCIE	
Cc1nc(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)cs1	1923167603	PJQZDJHUPDMXPA-UHFFFAOYSA-N	304.328	0.517	70	10	DCIE	
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(N(C)C)nc2)co1	161483239	ZJNKHWZFWORVRW-UHFFFAOYSA-N	324.362	0.901	70	10	DCIE	
Nc1ccccc1S(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	160067697	SRVDQVJWLBLNSY-PWSUYJOCSA-N	309.391	0.558	70	10	DCIE	
COC1CN(S(=O)(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)C1	1879791010	APPCLVPMYKMYDR-SCZZXKLOSA-N	313.130	0.875	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@@H]2C2CCC2)[nH]1	2199944335	ZKXZEVXAXBXQIY-RKDXNWHRSA-N	301.343	0.875	70	10	DCIE	
CCc1[nH]nc(C(=O)NCC[C@H]2CCO2)c1S(=O)(=O)Cl	2296050910	NECJBFKFCJNRGQ-ZETCQYMHSA-N	321.786	0.808	70	10	DCIE	
Cc1[nH]nc(C(=O)NCC(F)(F)F)c1S(=O)(=O)Cl	114560488	ZAVIUZLPZVNDPP-UHFFFAOYSA-N	305.665	0.938	70	10	DCIE	
O=C(C[S@](=O)Cc1ccc(S(=O)(=O)F)cc1)NC1CC1	857219326	CRXZUNPIGAKQQG-LJQANCHMSA-N	319.379	0.872	70	10	DCIE	
Cc1nn(CCN2C(=O)CCC2=O)c(C)c1S(=O)(=O)Cl	692439709	GRIFFZWJVNADRW-UHFFFAOYSA-N	319.770	0.576	70	10	DCIE	
COc1nc(N2CC[S@](=O)C[C@H]2C)ncc1[B-](F)(F)F	2116128068	CTEARJPMCGLLTD-GLEHDBDLSA-N	308.114	0.497	70	10	DCIE	
CC(C)C[C@H](C)OC[C@H](O)CN[C@@]1(C)CCS(=O)(=O)C1	218520702	WVWXKCPYGKFRFG-MJBXVCDLSA-N	307.456	0.965	70	10	DCIE	
CC[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCOC	1495059227	IGTHPZBGDKUJKK-SECBINFHSA-N	321.374	0.417	70	10	DCIE	
O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC1(CO)CC1	160229727	FAUSFFIBXLIZQR-UHFFFAOYSA-N	313.313	0.784	70	10	DCIE	
CNc1nc(Cl)nc(N2CCOC[C@@H]2C(=O)NC2CC2)n1	160569425	KEPVGZUXPDCTAI-MRVPVSSYSA-N	312.761	0.051	70	10	DCIE	
C[C@H]1C[C@@]2(CCS1(=O)=O)CC(=O)N2S(=O)(=O)Cl	1946393464	WDZFODLTVGHINQ-XPUUQOCRSA-N	301.773	0.038	70	10	DCIE	
O=C(c1cccc2c1OCCO2)N1CC(S(=O)(=O)F)C1	1968215927	PIQUMGPWZPVNRS-UHFFFAOYSA-N	301.295	0.582	70	10	DCIE	
CNS(=O)(=O)c1ccc(NC[C@@H]2COCCO2)cc1N	159582395	DLEAWQHCJJWRCX-SNVBAGLBSA-N	301.368	0.004	70	10	DCIE	
CCN1CC(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	379136340	XZKSQMWHCYWUIR-UHFFFAOYSA-N	322.383	0.327	70	10	DCIE	
CC(C)S(=O)(=O)NC1CN(c2ncncc2[B-](F)(F)F)C1	2172775346	ATFFBGBMOODKSQ-UHFFFAOYSA-N	323.129	0.047	70	10	DCIE	
CC[C@H](COC)CC(=O)NC1CCN(S(=O)(=O)F)CC1	2169026861	MXZDBJZKJNQIRW-JTQLQIEISA-N	310.391	0.844	70	10	DCIE	
O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H](S(=O)(=O)F)C1	2188911117	ACBRYWUCHWVIHW-SSDOTTSWSA-N	305.283	0.317	70	10	DCIE	
CC1(C)OCCO[C@H]1C(=O)N1CCC(S(=O)(=O)F)CC1	2186786283	HOHOQRLZDHMDJA-JTQLQIEISA-N	309.359	0.471	70	10	DCIE	
COc1cc2nc(N[C@@H]3COCC[C@H]3O)nc(N)c2cc1OC	218519547	DCWCLLCFEPHAHY-GHMZBOCLSA-N	320.349	0.791	70	10	DCIE	
COc1nn(Cc2cocn2)c(OC)c1S(=O)(=O)Cl	2097657868	OEIGDWZATIGLBN-UHFFFAOYSA-N	307.715	0.864	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1OC[C@@H]2CCC[C@H]12	2359646843	FFVYFDJYTCYDCG-NAKRPEOUSA-N	306.359	0.206	70	10	DCIE	
Cc1nc2ccccc2n1CCC(=O)N1CC[C@H](CO)[C@H](O)C1	216861247	GTXQELACYHSYDG-CZUORRHYSA-N	317.389	0.937	70	10	DCIE	
COCc1ccnc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1	1135050746	DLMRDEPKHRKQFM-UHFFFAOYSA-N	314.298	0.862	70	10	DCIE	
Cc1nc(N(C)[C@@H]2CCS(=O)(=O)C2)ncc1[B-](F)(F)F	2116131359	WVTXUZPZCJGRDB-MRVPVSSYSA-N	308.114	0.463	70	10	DCIE	
COCc1nccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1	1528845862	FGNVYJXKKWEMLJ-UHFFFAOYSA-N	314.298	0.862	70	10	DCIE	
O=C(Cn1ncnn1)Nc1ccc(S(=O)(=O)F)c(F)c1	1540045101	APRMUVOQYCJKBJ-UHFFFAOYSA-N	303.250	0.109	70	10	DCIE	
Cc1cc(C(N)=S)cc(N2CCN(CC(C)(C)O)CC2)n1	161320820	OQWMEKAYLQOMQV-UHFFFAOYSA-N	308.451	0.917	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cc(CN)ccc2C)CCOC1	160171275	RJGGTIOVFPHDIX-CQSZACIVSA-N	314.407	0.538	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)CCO1	166119965	GRGNYUHQOCONCH-SECBINFHSA-N	323.367	0.754	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)C1[C@@H]2CCCC[C@@H]12	1945736192	WLTUQLMTBCAXGZ-HTQZYQBOSA-N	301.817	0.663	70	10	DCIE	
C#CCOCCNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	1963995741	KRZUOWFOOUYNSR-UHFFFAOYSA-N	321.351	0.273	70	10	DCIE	
CC[C@@H](CCOC)C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394301	HDXYWECACDPGFI-JTQLQIEISA-N	310.391	0.844	70	10	DCIE	
CC[C@@H]1CN(c2cnn(CCO)c(=O)c2Cl)CC[C@@H]1N	159844947	YQLPRBUHKRNGJM-ZJUUUORDSA-N	300.790	0.453	70	10	DCIE	
CCn1cc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)cn1	160846524	VGDQFCZQJKRHML-UHFFFAOYSA-N	319.730	0.984	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1C[C@H]2COC[C@H]2C1	718177384	CJPFWNCLHRFHSN-OCAPTIKFSA-N	304.755	0.661	70	10	DCIE	
O=S(=O)(Cl)CCCN1CCS(=O)(=O)C2(CCC2)C1	2253850690	KLUSRHGVYIQWIS-UHFFFAOYSA-N	315.844	0.598	70	10	DCIE	
O=S(=O)(F)N1CCC(NS(=O)(=O)C2(Cl)CC2)CC1	2049918316	NEUCMJGHIGHTQB-UHFFFAOYSA-N	320.795	0.313	70	10	DCIE	
COCC(COC)CC(=O)N1CC(CCS(=O)(=O)F)C1	2199686683	BUGDANPAIRGEIF-UHFFFAOYSA-N	311.375	0.433	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CC2(CCCC2)CO1	2284152423	ZZVOPOFGUZJYJX-SNVBAGLBSA-N	306.359	0.350	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cc(Cl)ccn1	2271486807	BDCRWXVZHHSCOK-QMMMGPOBSA-N	307.734	0.753	70	10	DCIE	
Cn1c(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cnc1Cl	2271488653	NZLYOYNYUADZLW-LURJTMIESA-N	310.738	0.092	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1csc2cncn12	2268809349	MUPQPYYYNAIWNC-UHFFFAOYSA-N	304.328	0.024	70	10	DCIE	
C=CCNC/C=C/CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1274367326	AQJSXKNOMSIUEA-ONEGZZNKSA-N	301.343	0.735	70	10	DCIE	
C[C@H](COc1ccc(S(=O)(=O)Cl)cc1C(=O)O)C(N)=O	215613935	OAUFCYPYNIPXKP-ZCFIWIBFSA-N	321.738	0.813	70	10	DCIE	
CN(c1cc(Br)ncn1)[C@@H]1CCS(=O)(=O)C1	160593438	NBQLCLJWODTPON-SSDOTTSWSA-N	306.185	0.862	70	10	DCIE	
O=C(N[C@H](CO)C[C@@H]1CCCO1)c1cc(S(=O)(=O)F)c[nH]1	1155500341	KJJXRRHJSVAZHP-IUCAKERBSA-N	320.342	0.333	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1Cc1cnccn1	2125944188	YSFDALUFYFLQIY-UHFFFAOYSA-N	302.743	0.795	70	10	DCIE	
CCC[C@H]1C(=O)NCCN1C(=O)c1cnc2c(c1)ncn2C	161042622	XYPSQPXRMMUUKP-LBPRGKRZSA-N	301.350	0.709	70	10	DCIE	
CC[C@@H](COc1ncn(-c2ccccc2)n1)CS(N)(=O)=O	161360308	GUZRGMQYKMMRQB-NSHDSACASA-N	310.379	0.961	70	10	DCIE	
O=C(NC1CC1)[C@H]1COCCN1C(=O)c1cc(Cl)ccn1	159513851	OURDXJQOGPHPKF-GFCCVEGCSA-N	309.753	0.855	70	10	DCIE	
O=C(CC1CCSCC1)NCC1CN(S(=O)(=O)F)C1	1974055949	YGKZYSOVTDFNBD-UHFFFAOYSA-N	310.416	0.782	70	10	DCIE	
CNC(=O)[C@H]1COCCN1C(=O)c1cnc(Cl)c(Cl)c1	159509550	BACVIIFKYSTVIN-SECBINFHSA-N	318.160	0.975	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cccc(CN)c2)CCOC1	160170442	UFECOLDSYYWWFT-ZDUSSCGKSA-N	300.380	0.229	70	10	DCIE	
CN1C(=O)C[C@H](n2cc(S(=O)(=O)Cl)nc2C2CC2)C1=O	2152397074	XYXWXRVJTGTBAI-ZETCQYMHSA-N	317.754	0.618	70	10	DCIE	
CCCCN(C)S(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2028131403	UYMIPTINQQYJPC-VIFPVBQESA-N	302.393	0.337	70	10	DCIE	
Cn1c(-c2cn3c(n2)CCCC3)nnc1S(=O)(=O)Cl	697232332	PMJUBFDICOAMQH-UHFFFAOYSA-N	301.759	0.942	70	10	DCIE	
Cc1nc(N(C)[C@H]2CS(=O)(=O)C2(C)C)ncc1[B-](F)(F)F	2172769317	VVHNJAGGOHTCST-VIFPVBQESA-N	322.141	0.851	70	10	DCIE	
CC[C@@H](COC)CC(=O)NC1CCN(S(=O)(=O)F)CC1	2169026865	MXZDBJZKJNQIRW-SNVBAGLBSA-N	310.391	0.844	70	10	DCIE	
C[C@@H](F)CS(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2057409389	GHYOENMLKMCQIC-ZCFIWIBFSA-N	300.308	0.840	70	10	DCIE	
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC(CCS(=O)(=O)F)C1	2199699136	VWJYRVQLNQULPF-UHFFFAOYSA-N	305.287	0.684	70	10	DCIE	
Cc1nc(Cl)ncc1C(=O)N1CC[C@@H](S(=O)(=O)F)C1	2113148216	QEVUOMYMKHIGTB-SSDOTTSWSA-N	307.734	0.952	70	10	DCIE	
C[C@H]1CCC[C@@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)O1	2235160346	LAIGUHCFWSMHBL-YUMQZZPRSA-N	322.770	0.834	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1CCO[C@H](CF)C1	2115449846	KNCJELCWBDVCHC-SSDOTTSWSA-N	310.734	0.753	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCS(=O)(=O)C[C@@H]2C)n1	2116130862	OBQDZWZFHIFIAR-ZETCQYMHSA-N	308.114	0.463	70	10	DCIE	
COC[C@@H](C)S(=O)(=O)N1CCC(Cn2cccn2)CC1	159424627	SQKCOOHEOJCPSF-GFCCVEGCSA-N	301.412	0.960	70	10	DCIE	
CNS(=O)(=O)c1ccc(-n2nnc3ccccc32)cc1N	159653355	ZEHPHKJOGYDGDB-UHFFFAOYSA-N	303.347	0.911	70	10	DCIE	
O=C([C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@@H]12)N1CCC(S(=O)(=O)F)CC1	2144733751	SXXOOBXMPKZMEV-HGCLJGPKSA-N	303.355	0.700	70	10	DCIE	
COc1ccc(O)c(C(=O)N2CC[C@H](S(=O)(=O)F)C2)c1	2144732017	AQAYQHANCJGBHC-VIFPVBQESA-N	303.311	0.915	70	10	DCIE	
CCOc1cc(S(=O)(=O)CCS(=O)(=O)Cl)ncn1	2040380387	WWLYIHKYGGIVTE-UHFFFAOYSA-N	314.772	0.218	70	10	DCIE	
COCCNC(=O)COc1ccc(S(=O)(=O)F)cc1C	2191433913	DVUZGZFXPVQFCZ-UHFFFAOYSA-N	305.327	0.795	70	10	DCIE	
O=S(=O)(NCC1CN(S(=O)(=O)F)C1)C1CCCCC1	2108154933	SROPNVKRFUHUHA-UHFFFAOYSA-N	314.404	0.385	70	10	DCIE	
C=C(F)CS(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	2222322626	DQRJDUNGMKDPDL-UHFFFAOYSA-N	301.296	0.303	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccc([N+](=O)[O-])s1	2268799654	WHSZTMQCJTXDTO-UHFFFAOYSA-N	309.300	0.285	70	10	DCIE	
Cn1nc(C(=O)Nc2nc3c(s2)C(=O)NCCC3)ccc1=O	218484900	QNTMQNWTHZTBEG-UHFFFAOYSA-N	319.346	0.165	70	10	DCIE	
C[C@H](c1ccccc1)N1C[C@H](NC(=O)N2CCNCC2)CC1=O	217283450	DWXBGNLCMOSLEL-UKRRQHHQSA-N	316.405	0.963	70	10	DCIE	
Cn1cc(C[S@@](=O)Cc2ccc(S(=O)(=O)F)cc2)nn1	857213115	GLPSBGXWYROZCB-IBGZPJMESA-N	317.367	0.922	70	10	DCIE	
CN(C1COC1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	1915680488	NBYJFDXWGSMJEI-UHFFFAOYSA-N	309.340	0.364	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN2C[C@@H](F)C[C@H]2C1	1450062967	SOUPCRVIBDQKOT-IUCAKERBSA-N	319.333	0.541	70	10	DCIE	
CC(C)N1C[C@@H](C)[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1	161406051	HNHCMJQKGSBZFF-MNOVXSKESA-N	310.398	0.162	70	10	DCIE	
CN(C)S(=O)(=O)c1ccc(N2CCC(C)(O)CC2)c(N)c1	160414622	WBSXIVQXBCRSDU-UHFFFAOYSA-N	313.423	0.870	70	10	DCIE	
CCCC(=O)NCC(=O)N(C)CC(C)(C)CN1CCOCC1	159962906	UFMNYWYDHSEIKF-UHFFFAOYSA-N	313.442	0.720	70	10	DCIE	
O=C(N[C@@]12CCOC[C@H]1C2)c1cc(S(=O)(=O)Cl)c[nH]1	1880189586	YFMVOQUMYAYNOY-RDDDGLTNSA-N	304.755	0.851	70	10	DCIE	
COc1cnccc1C(=O)N1CCC[C@H](S(=O)(=O)F)C1	2144734095	XCCGEHUSAVDROK-VIFPVBQESA-N	302.327	0.994	70	10	DCIE	
CO[C@H]1CCC[C@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C1	1974059922	PNFMEFZUIWEMJK-QWRGUYRKSA-N	308.375	0.454	70	10	DCIE	
Cc1nc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)ncc1[B-](F)(F)F	2172758890	WNRKPHQGGABXBX-YUMQZZPRSA-N	322.141	0.851	70	10	DCIE	
CN([C@@H]1CCN(c2ccncc2[B-](F)(F)F)C1)S(C)(=O)=O	2172782388	QOVWJTWSNHMMFT-SECBINFHSA-N	322.141	0.606	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)c2ccccc2F)C1	2088470612	ZGZCWJUKVMCPLO-MRVPVSSYSA-N	311.331	0.888	70	10	DCIE	
Cc1ncc(OC[C@H]2CCS(=O)(=O)N2)cc1[B-](F)(F)F	2092460750	UITUZOIMVJMTRO-MRVPVSSYSA-N	309.098	0.515	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccc(Cl)c(O)c1	2268805330	IYWTXNXWNQICHV-UHFFFAOYSA-N	308.718	0.674	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2C[C@H]3OCCO[C@@H]3C2)n1	2280635484	VVUPBILEVZNGGT-NXEZZACHSA-N	303.069	0.749	70	10	DCIE	
O=S(=O)(N1CC[C@@H]([B-](F)(F)F)C1)N1CCC[C@@H]1CO	2319671842	MQKRBNUTSXOATA-RKDXNWHRSA-N	301.119	0.611	70	10	DCIE	
O=C(CS[C@@H]1CCS(=O)(=O)C1)N1C[C@@H]2CCC[C@H](C1)N2	160314270	QLLNPLQQXFVSCO-GRYCIOLGSA-N	318.464	0.260	70	10	DCIE	
COC(=O)[C@H](CC(C)C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1133157917	VQGAJIRUHYEZCU-JTQLQIEISA-N	320.342	0.990	70	10	DCIE	
N#C[C@@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	694024556	YCAMDDZXGHGADL-VIFPVBQESA-N	318.351	0.879	70	10	DCIE	
Cc1ncnc(N(C)CCCS(C)(=O)=O)c1[B-](F)(F)F	2116126367	DNBDLDPVXPBASR-UHFFFAOYSA-N	310.130	0.710	70	10	DCIE	
CN1C[C@@H](NS(=O)(=O)c2ccc(F)c(F)c2)CCC1=O	160050627	DUMBMWLNGNLHDH-QMMMGPOBSA-N	304.318	0.864	70	10	DCIE	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H](C)NS(C)(=O)=O	160601467	SKSKMRSTKRRCMI-WDEREUQCSA-N	314.407	0.719	70	10	DCIE	
CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](S(=O)(=O)F)C2)C1	1968234349	AVEBXNDTQYXXCR-GHMZBOCLSA-N	306.359	0.145	70	10	DCIE	
COCCn1ncc(N2CC[C@H](N)C[C@@H]2C)c(Cl)c1=O	159931207	SODRIHJOQGLZDS-UWVGGRQHSA-N	300.790	0.859	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)CC[C@@H]2CCCCN2)CCOC1	160542111	ZTHMWQBLQPJICC-QWHCGFSZSA-N	306.428	0.244	70	10	DCIE	
C[C@H](CNC[C@@H]1CCCN(S(C)(=O)=O)C1)N1CCCC1	161198116	CSMUVSXYWWDNHC-KGLIPLIRSA-N	303.472	0.732	70	10	DCIE	
CN(C)C1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	382346854	NOXXVKDZZLQPHE-UHFFFAOYSA-N	322.383	0.279	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@]12CCOC[C@@H]1C2	2194503674	HCSZWZHBIBVTJR-WRWORJQWSA-N	320.754	0.303	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2C[C@H]3COC[C@H]32)c1	2186345239	RGRHWIHZEDHMMA-GZMMTYOYSA-N	321.351	0.364	70	10	DCIE	
CN(C[C@H]1C[C@@H]2OCC[C@@H]2O1)c1ncncc1[B-](F)(F)F	2355241105	JONIYSJUIZFIDI-MIMYLULJSA-N	302.085	0.914	70	10	DCIE	
O=C(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC1CCCC1	1357358923	GUDLNIJHIZKCBR-UHFFFAOYSA-N	317.342	0.462	70	10	DCIE	
COc1cccc(CN(C)S(=O)(=O)NC2[C@@H]3CNC[C@@H]23)c1	217801662	CUXDRHDVWDZMGO-CHWSQXEVSA-N	311.407	0.179	70	10	DCIE	
CC(=O)N1CCN(C(=O)NCCNC(=O)OC(C)(C)C)CC1	217263606	BNGWZXHIPKPSBW-UHFFFAOYSA-N	314.386	0.385	70	10	DCIE	
O[C@@H]1CN(c2ncnc3c2CCNCC3)C[C@H]1N1CCCCC1	217052045	QVHNBTOXONMIDK-HZPDHXFCSA-N	317.437	0.200	70	10	DCIE	
O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)F	675064639	OJXVMPCYABCJMK-UHFFFAOYSA-N	301.295	0.599	70	10	DCIE	
CS(=O)(=O)C1CCN(c2ncncc2[B-](F)(F)F)CC1	2116138392	LTJRCUWJXROSRR-UHFFFAOYSA-N	308.114	0.544	70	10	DCIE	
O=C(C[C@@H]1CCNC1=O)Nc1ncc(S(=O)(=O)F)s1	1438189490	PIWLAUVPDCXYMM-YFKPBYRVSA-N	307.328	0.266	70	10	DCIE	
C#CCCNC/C=C\CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1274368450	LJZURKMKFRMUQM-PLNGDYQASA-N	313.354	0.572	70	10	DCIE	
COC[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1C)C1CC1	161249867	RPSLJZUMHKXXHQ-GFCCVEGCSA-N	312.391	0.797	70	10	DCIE	
CC(C)(C)C(=O)N1CCC(CN2CCOC[C@@H]2C(N)=O)CC1	161376052	DWGLFAHELHNVHS-CYBMUJFWSA-N	311.426	0.457	70	10	DCIE	
CC(C)N(C[C@@H](C)O)C(=O)NCCNC(=O)c1cccnc1	160242055	GDXHUNYABLYLOQ-GFCCVEGCSA-N	308.382	0.612	70	10	DCIE	
O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NC1(CO)CC1	160246299	FIDRUSWOEPRSKS-OAHLLOKOSA-N	304.390	0.919	70	10	DCIE	
Cc1cncc(/C=C/C(=O)N2CCN(S(C)(=O)=O)CC2)c1	160301705	ZINRAURRWCCMAN-ONEGZZNKSA-N	309.391	0.507	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2c(F)cc(N)cc2F)CCOC1	159907497	VQLOEMKVQXVNMU-GFCCVEGCSA-N	322.333	0.631	70	10	DCIE	
O=S(=O)(C(F)F)C1CN(c2ccncc2[B-](F)(F)F)C1	2141743946	PFHQJKBSZHUYMT-UHFFFAOYSA-N	315.052	0.962	70	10	DCIE	
CS(=O)(=O)CC1CN(CCCCS(=O)(=O)Cl)C1	1997188586	JRCKHXUXFHEUSC-UHFFFAOYSA-N	303.833	0.312	70	10	DCIE	
CN(C)CCN1CCN(c2ncncc2[B-](F)(F)F)CC1	2172774353	NMYQWTNVEHCYPS-UHFFFAOYSA-N	302.133	0.215	70	10	DCIE	
CO[C@@H]1CN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)C[C@@H]1F	2090291323	NUQBJGDXRRIQEP-IONNQARKSA-N	310.734	0.751	70	10	DCIE	
O=C(Cc1cccc(O)c1)N[C@@H]1CCN(S(=O)(=O)F)C1	2287075707	OLSMRTYNIXTTIU-SNVBAGLBSA-N	302.327	0.340	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccc(F)c(F)c1	2287078227	ZGQPRDOZNZBDRW-QMMMGPOBSA-N	308.281	0.983	70	10	DCIE	
CC(C)(CC(F)(F)F)C(=O)NC1CN(S(=O)(=O)F)C1	2268806095	QRXFQQHGUZKMON-UHFFFAOYSA-N	306.281	0.980	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1Cc1nnn(CC)n1	1893048483	NIPVXUZCAYIEOC-UHFFFAOYSA-N	304.763	0.428	70	10	DCIE	
COCCCN(CCOC)C(=O)N[C@H]1CCc2ncnn2C1	161083844	XNCAFQQUMPJPCI-LBPRGKRZSA-N	311.386	0.287	70	10	DCIE	
Cc1csc(=O)n1CC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	160690385	OWMIHONYMOPTHR-MNOVXSKESA-N	309.391	0.345	70	10	DCIE	
Nc1ncc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cn1	160895574	WIDOPSXLCWOGPQ-MFKMUULPSA-N	312.395	0.375	70	10	DCIE	
O=C(Nc1ccc(-n2cccn2)nc1)N[C@@H]1CCc2ncnn2C1	160940218	DSSPYWCBXDRQOQ-GFCCVEGCSA-N	324.348	0.995	70	10	DCIE	
CN(c1cnn(CCO)c(=O)c1Cl)[C@H]1CCCC[C@@H]1CN	159677286	GVRBTAQXPFUCJI-MNOVXSKESA-N	314.817	0.843	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)C1CC(F)(F)C1	1974402442	NNXMHGMNZVZXFE-UHFFFAOYSA-N	300.302	0.827	70	10	DCIE	
C[C@@H](C(=O)N1CCC1)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	2145935995	CVIQZKVQTVSPMY-LURJTMIESA-N	322.730	0.512	70	10	DCIE	
COCCn1c(-c2cccnn2)nnc1S(=O)(=O)Cl	701793967	ZLUIZDHJLZDHOI-UHFFFAOYSA-N	303.731	0.309	70	10	DCIE	
COCCn1c(C2[C@@H]3COC[C@@H]23)nnc1S(=O)(=O)Cl	385600663	ZCXJHOXNXYSORA-RNFRBKRXSA-N	307.759	0.212	70	10	DCIE	
Cc1ncnc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)c1[B-](F)(F)F	2172764321	BBYRDNWIYJDWKG-IUCAKERBSA-N	320.125	0.320	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)CCN(C)C2COC2)n1	2173115616	VIEHHTJMLFIJHJ-UHFFFAOYSA-N	303.117	0.606	70	10	DCIE	
CCOCCN1CCN(Cc2cc(C3CC3)n[nH]2)C[C@@H](O)C1	217424813	FBBPLNOZNUXCSV-HNNXBMFYSA-N	308.426	0.802	70	10	DCIE	
COc1ccc([C@@H](O)CNC(=O)c2cn(C)nn2)cc1OC	217358063	ZAKYKMKGCWAFDF-NSHDSACASA-N	306.322	0.296	70	10	DCIE	
COC[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	696570286	CUSVOFFBNWSQPE-QMMMGPOBSA-N	321.786	0.897	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)C[C@@H]2CCCO2)C1	2134972713	HMBRJVQGLYMNFT-JTQLQIEISA-N	315.388	0.116	70	10	DCIE	
CC(=O)c1ccc(S(=O)(=O)Cl)c(OC[C@@H](O)CO)c1	260855712	BPYCELCLYOPIAF-VIFPVBQESA-N	308.739	0.549	70	10	DCIE	
COC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1584627447	WLIDVJQYYNDBFK-SFYZADRCSA-N	318.326	0.744	70	10	DCIE	
O=C(N[C@H]1CCc2ncnn2C1)N1CC[C@H](N2CCCC2)C1	161128710	LOVIYHCCRPNTHE-STQMWFEESA-N	304.398	0.473	70	10	DCIE	
CC(C)c1noc(CCCNC(=O)NCC(C)(C)C(N)=O)n1	161190611	YZBCSPCWIGJYQX-UHFFFAOYSA-N	311.386	0.936	70	10	DCIE	
CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)CC2	160065152	QEJRMPBFMDTBKY-GHMZBOCLSA-N	320.397	0.075	70	10	DCIE	
CS(=O)(=O)N1CCC[C@H](CN2CC[C@H]3NCCC[C@@H]3C2)C1	160368558	PRCBYTVSWQIJCU-RBSFLKMASA-N	315.483	0.732	70	10	DCIE	
Cc1ccc(N)c(C)c1S(=O)(=O)NCCNC(=O)C1CC1	160651158	FDRPEOUCPXXXNL-UHFFFAOYSA-N	311.407	0.690	70	10	DCIE	
Cn1cnc2cc(C(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)cnc21	160782943	HTVFRBPFBLHKOD-ZIAGYGMSSA-N	316.361	0.988	70	10	DCIE	
CC1(O)CCN(c2nc(Cl)nc(N3CCOCC3)n2)CC1	160871178	ZKVFRABDAPPSEE-UHFFFAOYSA-N	313.789	0.713	70	10	DCIE	
COc1ccc(S(=O)(=O)NCCS(=O)(=O)Cl)s1	1948476398	VRVIVZXJJMAHSO-UHFFFAOYSA-N	319.813	0.604	70	10	DCIE	
O=C(N1CC(S(=O)(=O)F)C1)C1(C(F)(F)F)CCOCC1	1972978245	FFNGVFVVHUQZOY-UHFFFAOYSA-N	319.276	0.856	70	10	DCIE	
O=C(c1cnc(Cl)s1)N1CCN(S(=O)(=O)F)CC1	1974001400	SLEUKDMFKZENLP-UHFFFAOYSA-N	313.763	0.769	70	10	DCIE	
CC(C)[C@@H](N)CNc1cnn(CCN(C)C)c(=O)c1Cl	159543538	CTXCYOGOLWXXIP-JTQLQIEISA-N	301.822	0.854	70	10	DCIE	
CN(C)C1(CNS(=O)(=O)C[C@@H]2CCCCN2)CCCC1	160950059	GNTYOZBFGBLKEJ-ZDUSSCGKSA-N	303.472	0.922	70	10	DCIE	
C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)N(C)C	163311649	MZEPHWDCMJQFBQ-VIFPVBQESA-N	324.399	0.573	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2C[C@H]3C[C@H]2CS3(=O)=O)n1	2172768989	QTIZJIRBJPYOQC-DTWKUNHWSA-N	320.125	0.524	70	10	DCIE	
O=C(C[C@@H]1C[C@@H]1C(F)(F)F)N[C@@H]1CCN(S(=O)(=O)F)C1	2287074217	CHNVHCMRSREFOU-RNJXMRFFSA-N	318.292	0.980	70	10	DCIE	
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([B-](F)(F)F)C1	2342470822	LXHZVDDRYUKNGC-DTWKUNHWSA-N	313.130	0.860	70	10	DCIE	
COc1ccc([C@H](O)CNC(=O)c2cn(C)nn2)cc1OC	217358137	ZAKYKMKGCWAFDF-LLVKDONJSA-N	306.322	0.296	70	10	DCIE	
Cc1cc2c(S(=O)(=O)CCS(=O)(=O)Cl)nccn2n1	130087259	HKPJKSUBQMWZOY-UHFFFAOYSA-N	323.783	0.380	70	10	DCIE	
CC(C)n1c(CS(C)(=O)=O)nnc1S(=O)(=O)Cl	227584526	VBPCXAZEBCBZBA-UHFFFAOYSA-N	301.777	0.331	70	10	DCIE	
COc1c(NS(N)(=O)=O)cc(C)cc1S(=O)(=O)Cl	100644179	QKIPXNCKRDPYPY-UHFFFAOYSA-N	314.772	0.547	70	10	DCIE	
CC(C)Cn1c(-c2nnn(C)n2)nnc1S(=O)(=O)Cl	697247141	BOKGMTAEAJYXQG-UHFFFAOYSA-N	305.751	0.052	70	10	DCIE	
CC1(C)C[C@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)O1	2133032200	RXXWMAVDMGSJPK-ZCFIWIBFSA-N	308.743	0.444	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1[C@H](C)C(=O)NCCOC	215846276	YPNOMHVFPIRIQC-MRVPVSSYSA-N	323.802	0.697	70	10	DCIE	
CC(C)NCCCN(C)S(=O)(=O)NCc1ccccn1	217369558	SNCRORHLOIWXKF-UHFFFAOYSA-N	300.428	0.736	70	10	DCIE	
O=c1[nH]c(=O)n(Cc2ccccc2F)cc1S(=O)(=O)Cl	112727634	JSSVMIJWMVHTTB-UHFFFAOYSA-N	318.713	0.652	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C2CC3(CSC3)C2)[nH]1	1923156276	KDZYJAQDHAFFNR-UHFFFAOYSA-N	319.383	0.582	70	10	DCIE	
O=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1C[C@H](O)CN1	161204333	UEJBOIVGITVIIT-BQBZGAKWSA-N	309.313	0.543	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCCCc2nnc[nH]2)cc1N	159634855	CAMTUAXHOJOSHK-UHFFFAOYSA-N	310.383	0.340	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1ccc(C(N)=S)c(C)c1	159796116	JMODNRNQFDAYRG-CYBMUJFWSA-N	307.419	0.971	70	10	DCIE	
O=C(c1ccc([N+](=O)[O-])cc1)N1CC(CS(=O)(=O)F)C1	1968215972	QATPUTLHUSGMNG-UHFFFAOYSA-N	302.283	0.966	70	10	DCIE	
N#Cc1ncccc1S(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2144732176	CKMMEKWYSDEBKG-MRVPVSSYSA-N	319.339	0.016	70	10	DCIE	
COCCOCCCCNS(=O)(=O)C[C@H]1CCCNC1	159474579	BIMUZEPXBJUQAE-ZDUSSCGKSA-N	308.444	0.349	70	10	DCIE	
COCCn1ncc(N2CCNCC2(C)C)c(Cl)c1=O	159613746	GXUIJKIIKJVBDJ-UHFFFAOYSA-N	300.790	0.731	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)CC[C@H]2CCCCN2)CCOC1	160542292	ZTHMWQBLQPJICC-CHWSQXEVSA-N	306.428	0.244	70	10	DCIE	
O=S(=O)(Cl)c1nnc([C@@H]2CN3CCN2CC3)n1C1CC1	2155750745	YZGCMOOTLATYBU-VIFPVBQESA-N	317.802	0.213	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCO[C@H]([C@@H]2CCCO2)C1	2172775516	CYGNXXVDBCGBLO-QWRGUYRKSA-N	302.085	0.915	70	10	DCIE	
Cc1ncnc(N2CC(N3CCOCC3)C2)c1[B-](F)(F)F	2172763603	TUORTOKKXBOYOX-UHFFFAOYSA-N	301.101	0.360	70	10	DCIE	
CC1(C)OCCC[C@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	2187187990	WBQMWGOVCOCJKW-JTQLQIEISA-N	308.375	0.454	70	10	DCIE	
C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)F)nc2)COCCO1	2199240715	CNRYPXIMUMMLEX-NSHDSACASA-N	304.299	0.484	70	10	DCIE	
C[C@H]1CCCN(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)C1	2088469676	PNGPDBXJSUSVBU-VHSXEESVSA-N	314.404	0.337	70	10	DCIE	
C[C@H]1CO[C@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1	2110069897	LDUQJIRGYREGSM-RQJHMYQMSA-N	308.743	0.301	70	10	DCIE	
CN1CCN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)[C@H]2C[C@@H]21	2112074676	LEZXKJPRBSHGIH-UWVGGRQHSA-N	303.771	0.471	70	10	DCIE	
COC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	1613052015	CEQMOIPZKJPXIG-JTQLQIEISA-N	322.314	0.813	70	10	DCIE	
CCC[C@@H]1C(=O)NC(=O)N(CCCCOCCOC)C1=O	160594536	DUEAWHSCYMMVEA-LLVKDONJSA-N	300.355	0.924	70	10	DCIE	
CN(C)CCn1ncc(NCC[C@@H]2CCNC2)c(Cl)c1=O	159409972	BXCNZBNRTDAIEP-NSHDSACASA-N	313.833	0.870	70	10	DCIE	
NC(=S)c1ccccc1N1CCOC[C@@H]1C(=O)NC1CC1	159807253	STYKDHIUNIYNGX-CYBMUJFWSA-N	305.403	0.805	70	10	DCIE	
Cn1cc(CC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cn1	159411178	LRNPCAWIKHGERH-ZIAGYGMSSA-N	319.361	0.907	70	10	DCIE	
O=S(=O)(N1CC[C@H](O)C1)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	1879798256	ZIACKHRAGWJTHA-KXUCPTDWSA-N	313.130	0.611	70	10	DCIE	
Cc1ccc(CC(=O)N2CCN(S(=O)(=O)F)CC2)cc1	1974001510	VFLZEDWJXCGADS-UHFFFAOYSA-N	300.355	0.896	70	10	DCIE	
C[C@@H]1C[C@@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)[C@@H](C)O1	1974394742	OKKPADOAQYMGSE-FXPVBKGRSA-N	308.375	0.595	70	10	DCIE	
Cc1cc(C(=O)NC2CCN(S(=O)(=O)F)CC2)ncn1	1974394323	HKZYXZRNUJVJPN-UHFFFAOYSA-N	302.331	0.194	70	10	DCIE	
COc1nc(N(C)Cc2cncn2C)ncc1[B-](F)(F)F	2172765246	OOGTVIIQXVOFRM-UHFFFAOYSA-N	300.073	0.910	70	10	DCIE	
CS(=O)(=O)N1CCCN(c2ncncc2[B-](F)(F)F)CC1	2172776994	WSYQWEVLBQYOKR-UHFFFAOYSA-N	323.129	0.003	70	10	DCIE	
C[C@@H]1CCC[C@@H](CS(=O)(=O)NCCS(=O)(=O)Cl)O1	2316694073	NIHAZSWKXPIKMV-BDAKNGLRSA-N	319.832	0.432	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCN3CCOC[C@H]3C2)n1	2185882850	SDPWFNMCVQCZRF-SNVBAGLBSA-N	301.101	0.360	70	10	DCIE	
COc1sc(S(=O)(=O)Cl)cc1C(=O)NC1COC1	2046686749	NEJKGVKVTXGENB-UHFFFAOYSA-N	311.768	0.813	70	10	DCIE	
Cn1c([C@@H]2CCc3nn[nH]c3C2)nnc1S(=O)(=O)Cl	2088321709	QYCWPGHMMOFWJN-RXMQYKEDSA-N	302.747	0.133	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1C[C@H]2CO[C@H]1C2	2286252432	OWNOSAHNPJCEQQ-HDBBIHSSSA-N	318.782	0.860	70	10	DCIE	
Cc1ccnc(C)c1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287074223	CHXHQBFWCRYWOQ-SNVBAGLBSA-N	301.343	0.717	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1noc2c1CCC2	2164430800	KOOMOTXILQOIOC-UHFFFAOYSA-N	303.315	0.039	70	10	DCIE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)F)CCO1	1954657624	ZEAGPIZGFQJHIZ-IUCAKERBSA-N	312.363	0.815	70	10	DCIE	
Cn1c([C@@H]2CCCc3nccn32)nnc1S(=O)(=O)Cl	2129533082	YJEXEDQLPNJAHA-ZETCQYMHSA-N	301.759	0.865	70	10	DCIE	
CC1(C)C[C@@H](O)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1347765192	UWPAVKZTCOSKAD-MRVPVSSYSA-N	304.343	0.906	70	10	DCIE	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CN2CCC1CC2	1347458031	QZBMQLUGNUGMRP-LBPRGKRZSA-N	315.370	0.839	70	10	DCIE	
COc1cc(NS(=O)(=O)CCCO)cc(OC)c1OC	217296925	RQMDUYDHEVLTEI-UHFFFAOYSA-N	305.352	0.837	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(F)cc1	159523399	ACVPTICZMADQBW-LBPRGKRZSA-N	316.354	0.351	70	10	DCIE	
COc1cccc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)c1O	2144733217	NPHMVSNSEVDCAB-QMMMGPOBSA-N	303.311	0.915	70	10	DCIE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CC(S(=O)(=O)F)C1	1877622521	YPKSIRREOWYANA-DTWKUNHWSA-N	322.358	0.410	70	10	DCIE	
O=C1C[C@@H](COc2ccc(S(=O)(=O)Cl)cc2C(=O)O)N1	2149191317	ZMIHLMSSSPBUNQ-LURJTMIESA-N	319.722	0.580	70	10	DCIE	
CNc1nnc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)s1	160375720	YWZUFXJPSHAQSO-LURJTMIESA-N	322.437	0.140	70	10	DCIE	
CN1CC[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	163317897	KBZQWBZJIBLLEM-SECBINFHSA-N	322.383	0.327	70	10	DCIE	
C[C@]12C[C@H](C1)[C@H](C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)CO2	2362913009	PRXKGDQUHFAIST-BFLSOPEQSA-N	306.359	0.206	70	10	DCIE	
CC(C)[C@H]1CC[C@H](O)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217973707	DAVRTQUTAMZSPG-ZNMIVQPWSA-N	318.483	0.997	70	10	DCIE	
CCCN(C1CCNCC1)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1	218608550	JRKZUVJJUWMBMD-STQMWFEESA-N	319.471	0.804	70	10	DCIE	
O=C(c1cnc(Cl)cn1)N1CC(CCS(=O)(=O)F)C1	2134989255	KENFLYFBOUHSKR-UHFFFAOYSA-N	307.734	0.891	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ccc(Cl)o2)[nH]1	1923167184	LIIIEJZDOVDNRR-UHFFFAOYSA-N	307.690	0.999	70	10	DCIE	
O=C(N[C@H]1CCc2ncnn2C1)N[C@H]1c2ccccc2C[C@H]1O	161153164	CWXJYVHEHHLFDQ-LNSITVRQSA-N	313.361	0.550	70	10	DCIE	
O=C(CCN1CCO[C@H](c2nccs2)C1)N1CCOCC1	161445393	MDHUQCSUNZOIGM-LBPRGKRZSA-N	311.407	0.765	70	10	DCIE	
CCNC(=O)CN(CC)C(=O)CCc1cccc(C(=O)NC)c1	160008014	ZRJYHDUWHWQNDY-UHFFFAOYSA-N	319.405	0.963	70	10	DCIE	
Nc1cc(F)ccc1-c1nnnn1C[C@@H]1CCCS1(=O)=O	160066178	RLXKZGDHDSPBDN-VIFPVBQESA-N	311.342	0.639	70	10	DCIE	
C[C@@H](Oc1cccc(CO)c1)C(=O)NCCCN1CCOCC1	160748743	JSJWCHYPRYLUTP-CQSZACIVSA-N	322.405	0.785	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)CCC(=O)OCC	159462632	VBWJDMSTONWIMI-LLVKDONJSA-N	300.355	0.083	70	10	DCIE	
COC(=O)CCN(C)S(=O)(=O)Nc1ccc(F)c(OC)c1	159881043	HJZWVGNSZWHIHR-UHFFFAOYSA-N	320.342	0.986	70	10	DCIE	
COc1nn(Cc2ncco2)c(OC)c1S(=O)(=O)Cl	2273707304	OAXJGPNHVXUDPQ-UHFFFAOYSA-N	307.715	0.864	70	10	DCIE	
COC[C@H](CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1)OC	234753485	AYWVZAVDIIGATE-ZETCQYMHSA-N	310.759	0.333	70	10	DCIE	
C[C@H]1CCN(CCn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1	692880631	ALVBPRABWHZFFW-QMMMGPOBSA-N	321.786	0.218	70	10	DCIE	
O=S1(=O)C[C@H]2CCN(c3ccncc3[B-](F)(F)F)[C@@H]2C1	2116144217	DHSJXPWERBSJSI-LDYMZIIASA-N	305.110	0.759	70	10	DCIE	
Cc1ncnc(N2CC(CS(C)(=O)=O)C2)c1[B-](F)(F)F	2116129209	IDRJXAIDWVCIOF-UHFFFAOYSA-N	308.114	0.320	70	10	DCIE	
CC(C)NC(=O)[C@@H](C)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215913134	UBRYUIXEBMSOAT-ZCFIWIBFSA-N	324.746	0.804	70	10	DCIE	
CCn1cnnc1[C@@H]1CCCN(CCC(=O)NC(=O)NC)C1	161413877	QAONOBPJVBMVMX-LLVKDONJSA-N	308.386	0.323	70	10	DCIE	
C[C@H]1CC[C@H](C(N)=O)CN1CCN1C(=O)NC2(CCCC2)C1=O	160533123	XIHHCNIWMORWJO-RYUDHWBXSA-N	322.409	0.437	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N2CCCC[C@H]2C(N)=O)c1F	159483265	CSDROXYZOPZZBJ-JTQLQIEISA-N	315.370	0.745	70	10	DCIE	
COc1sccc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974015831	YJAQZSATNKFCGE-UHFFFAOYSA-N	308.356	0.729	70	10	DCIE	
O=C(c1ccc(O)cc1F)N1CCN(S(=O)(=O)F)CC1	1974000698	FDLAOPSFAGZDBG-UHFFFAOYSA-N	306.290	0.503	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1CCCSC1	1974395029	SZWVISQBHHMZEE-VIFPVBQESA-N	310.416	0.925	70	10	DCIE	
COC(=O)CCN(C)S(=O)(=O)c1cc(N)cc(C)c1F	159503218	DWUOBEAIOGXJSI-UHFFFAOYSA-N	304.343	0.900	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCCCS(C)(=O)=O)cc1N	159607278	GXVPCFDQYXXEAG-UHFFFAOYSA-N	321.424	0.024	70	10	DCIE	
CCCn1c([C@@]2(OC)CCOC2)nnc1S(=O)(=O)Cl	402045005	KMTZFYTYLRZQOH-SNVBAGLBSA-N	309.775	0.878	70	10	DCIE	
O=C([C@@H]1CCCc2nccn21)N1CC[C@@H](S(=O)(=O)F)C1	2186050303	IGSJMTPBFRAYGU-ZJUUUORDSA-N	301.343	0.661	70	10	DCIE	
O=C([C@@H]1CC[C@@H]1C(F)(F)F)N1CCN(S(=O)(=O)F)CC1	2232577737	RDALVBCLTWOGJZ-SFYZADRCSA-N	318.292	0.933	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccc(F)c(O)c1	2287067366	GEWMCZBYXQKBSV-QMMMGPOBSA-N	306.290	0.550	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H](O)c1ccccc1	2287069655	NEWKZCAKZWJUHF-GHMZBOCLSA-N	302.327	0.125	70	10	DCIE	
NC(=O)CCOc1ccc(S(=O)(=O)Cl)cc1C(=O)O	215661897	CMSYJUHLODUMLA-UHFFFAOYSA-N	307.711	0.567	70	10	DCIE	
N#CC1(F)CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	2365088158	FDCWBCVEAVSFKK-UHFFFAOYSA-N	322.314	0.581	70	10	DCIE	
COCC1CC(NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	713996585	XKELCJUKOYQUFD-UHFFFAOYSA-N	321.786	0.800	70	10	DCIE	
CN(C)S(=O)(=O)NCC(=O)N1CCC[C@H]([B-](F)(F)F)C1	2133911898	DICMJKRPYAZWBT-QMMMGPOBSA-N	316.134	0.222	70	10	DCIE	
C[C@H](CNC(=O)C1CC1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1284189835	BTJMMTNRPCVCSX-SSDOTTSWSA-N	317.342	0.317	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)C[C@@H]1CC[C@@H](F)C1	1945230093	GVIVWBFMXBXBIW-HTQZYQBOSA-N	307.796	0.613	70	10	DCIE	
CC(=O)Nc1ccc(C(=O)N2CC(S(=O)(=O)F)C2)cc1	1968216654	COMBLTIQOFTZQC-UHFFFAOYSA-N	300.311	0.769	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N[C@H](C)CS(C)(=O)=O)c1F	159534255	PTWQHVHIZRJCOG-MRVPVSSYSA-N	324.399	0.428	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cc(F)ccc2N)CCOC1	159901513	TWRGPYMVEVHENP-GFCCVEGCSA-N	304.343	0.492	70	10	DCIE	
O=C(N1CCC(S(=O)(=O)F)CC1)[C@]12COC[C@H]1C2(F)F	2161915055	YVIYWPOYFSWBDP-SCZZXKLOSA-N	313.297	0.558	70	10	DCIE	
O=S(=O)(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccsc1	2259010212	QZLXPPYRWIDAEP-ZETCQYMHSA-N	314.385	0.315	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1CC[S@](C)=O	2062003048	YPSLTBFFQLDJNA-KRWDZBQOSA-N	314.816	0.726	70	10	DCIE	
CC[C@@H](C(N)=O)n1nc(OC)c(S(=O)(=O)Cl)c1OC	2093415745	QMBUWFSGSGPTJK-YFKPBYRVSA-N	311.747	0.264	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@@H]1Br	2244561263	GZXSYCXCHILFHK-VQVTYTSYSA-N	315.164	0.175	70	10	DCIE	
Cc1cnc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c([B-](F)(F)F)c1	2336519524	GJKCYKYGHSIPNR-SCZZXKLOSA-N	305.110	0.678	70	10	DCIE	
CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NS(=O)(=O)F)C1	1953574476	VGUWOWGMRQXTLT-MDTSDYNXSA-N	316.376	0.966	70	10	DCIE	
C[C@H](CCNCC#N)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1273026313	HMBREBAXCYLVCU-MRVPVSSYSA-N	302.331	0.294	70	10	DCIE	
NC(=O)NC(=O)C1CCC(NC(=O)c2cncc(F)c2)CC1	160877731	ILISUXPXJWMSGG-UHFFFAOYSA-N	308.313	0.704	70	10	DCIE	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(CS(=O)(=O)F)C1	1897481543	NDFDSTOBUQTQDY-MRVPVSSYSA-N	324.374	0.657	70	10	DCIE	
CNC(=O)[C@@H]1CNCCN1Cc1cnc(Cl)cc1Cl	159890958	WBLFTPDNSQFJPR-JTQLQIEISA-N	303.193	0.908	70	10	DCIE	
CC(C)(C)n1c(Cn2ccnn2)nnc1S(=O)(=O)Cl	2090274370	UBQDOQMVCISQKA-UHFFFAOYSA-N	304.763	0.600	70	10	DCIE	
COCC1(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CCCC1	2287076137	HALVDRQSEUXCSF-SNVBAGLBSA-N	308.375	0.598	70	10	DCIE	
COCNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	217310390	MXQNKJCQHKFATE-UHFFFAOYSA-N	313.379	0.306	70	10	DCIE	
Cn1c(-c2nnn(C(C)(C)C)n2)nnc1S(=O)(=O)Cl	697249266	OCUNQBRZHAWIRL-UHFFFAOYSA-N	305.751	0.151	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)Cc2ccncc2)C1	2134975879	SVKZSPXHLYUREG-UHFFFAOYSA-N	308.356	0.143	70	10	DCIE	
CCC(=O)NC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1358389354	WCKUGXOOWKJIHG-SSDOTTSWSA-N	305.331	0.317	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cnc(Cl)nc2)[nH]1	1923153990	VBXWGXOPZHUYFA-UHFFFAOYSA-N	319.705	0.196	70	10	DCIE	
CCc1[nH]nc(C(=O)NC2CCOCC2)c1S(=O)(=O)Cl	115793734	RGECZCLWZJILJD-UHFFFAOYSA-N	321.786	0.808	70	10	DCIE	
C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(Br)nc1	160041477	ZXNMMTVQGRKWGJ-SSDOTTSWSA-N	316.155	0.670	70	10	DCIE	
COc1ccccc1[C@@H](O)CNS(=O)(=O)Cc1ccon1	159367627	CFLJRMAGKZUPII-LBPRGKRZSA-N	312.347	0.836	70	10	DCIE	
C#C[C@H](C)N(C)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	1963993691	RJQUIATWNOZZFN-VIFPVBQESA-N	305.352	0.987	70	10	DCIE	
CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2144732321	DQUXBQQAAIOTDU-SECBINFHSA-N	308.375	0.439	70	10	DCIE	
CC(C)NCCn1cc(S(=O)(=O)NC[C@H]2C[C@@H]2C)cn1	160833027	VDXBXXIIZNUSJW-NWDGAFQWSA-N	300.428	0.815	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)[C@@H]2COC[C@H]2C)c1S(=O)(=O)Cl	688263041	PSMKBIYWJOAUCC-HTRCEHHLSA-N	321.786	0.753	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2CC[C@H](C)O2)c1S(=O)(=O)Cl	398167644	NCMQFQSVRVCEHQ-XPUUQOCRSA-N	321.786	0.943	70	10	DCIE	
Cc1nc(N2C[C@H]3[C@@H](C2)OCCN3C)ccc1[B-](F)(F)F	2172786745	VVRVCXVWKLBHIJ-NWDGAFQWSA-N	300.113	0.964	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1CCN(S(C)(=O)=O)CC1	2172787015	ZFJLOPKEJGGARV-UHFFFAOYSA-N	322.141	0.526	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	2287068467	IEZDKVQBPOEVCW-LURQLKTLSA-N	312.313	0.683	70	10	DCIE	
CN1CC(COCC2(CS(=O)(=O)Cl)CCOCC2)C1	2335255067	POYHAEUZHZBLCQ-UHFFFAOYSA-N	311.831	0.930	70	10	DCIE	
CC(C)CNC(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1	217269492	HNABSWQEFGMAAQ-GFCCVEGCSA-N	305.444	0.403	70	10	DCIE	
O=S(=O)(F)c1ccc(NS(=O)(=O)C2CCOCC2)cn1	2166519874	UEESMFVJRRYHEB-UHFFFAOYSA-N	324.355	0.661	70	10	DCIE	
C[C@H](CN1CCOCC1)Cn1cnc(S(=O)(=O)Cl)c1	720686108	UQYSETKQRWTBOV-SNVBAGLBSA-N	307.803	0.779	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1C[C@@H]1OC	2131647966	QRJMAIRBIPCLEL-WPRPVWTQSA-N	306.771	0.953	70	10	DCIE	
O=C(Cn1cc(S(=O)(=O)Cl)nc1C1CC1)NC1CC1	707755611	KBBFGYAHSJQWEU-UHFFFAOYSA-N	303.771	0.967	70	10	DCIE	
C[C@@H](CN(C)CCF)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1322244937	ROXIHOKOHLJJQE-QMMMGPOBSA-N	309.338	0.693	70	10	DCIE	
COC(=O)Cn1ncc(N2CC[C@H](N)[C@@H](C)C2)c(Cl)c1=O	159790620	ZHZQPFYFAHZURT-IUCAKERBSA-N	314.773	0.243	70	10	DCIE	
Cc1cc(=O)c(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)c[nH]1	2144732129	BTVRTODHXXSOQP-SECBINFHSA-N	302.327	0.587	70	10	DCIE	
O=C(c1cccnc1Cl)N1CCN(S(=O)(=O)F)CC1	1974000889	IRNFTXOUSAJBRN-UHFFFAOYSA-N	307.734	0.707	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2OCC[C@@H]2C)c1S(=O)(=O)Cl	2152425409	QWCJBBXTJZWCHI-POYBYMJQSA-N	321.786	0.800	70	10	DCIE	
Cc1nc(N2CCO[C@H]3COCC[C@@H]32)ncc1[B-](F)(F)F	2172764373	BSCGKPLNYBQBDJ-QWRGUYRKSA-N	302.085	0.834	70	10	DCIE	
CCS(=O)(=O)[C@H]1CCN(c2nc(C)ncc2[B-](F)(F)F)C1	2179894717	RWSFTKBAKTZBOJ-VIFPVBQESA-N	322.141	0.853	70	10	DCIE	
COCCn1c(C[C@H]2CCO[C@@H]2C)nnc1S(=O)(=O)Cl	2196352233	JABPNLAZCARSAI-RKDXNWHRSA-N	323.802	0.820	70	10	DCIE	
CC(C)(C)CS(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2112718775	RTNVFXOUNUMNSI-UHFFFAOYSA-N	316.420	0.631	70	10	DCIE	
C[C@@H]1CC[C@H](S(C)(=O)=O)CN1CCCS(=O)(=O)Cl	2253682114	ZPQZJBMTHRVVGM-ZJUUUORDSA-N	317.860	0.843	70	10	DCIE	
O=C1NCCCc2nc(NS(=O)(=O)N3CCCC3)sc21	218529743	IIQWPNICDNKTEK-UHFFFAOYSA-N	316.408	0.572	70	10	DCIE	
COc1nn(C[C@H]2C[C@H]2OC)c(OC)c1S(=O)(=O)Cl	2131677467	MRVCAJXJTAXETC-RNFRBKRXSA-N	310.759	0.863	70	10	DCIE	
O=C(Nc1ccccc1S(=O)(=O)F)[C@H]1CCCS1(=O)=O	710432732	DCKKZKVGFKZSSV-SNVBAGLBSA-N	321.351	0.861	70	10	DCIE	
C[C@H]1[C@H](C)S(=O)(=O)CCN1c1ncc([B-](F)(F)F)cn1	2116148502	QUFYGVYLGWLQFH-YUMQZZPRSA-N	308.114	0.543	70	10	DCIE	
CCN(C)C(=O)CNCc1ccc(S(=O)(=O)N(C)C)o1	217353287	DGXMUAFHZYMGFH-UHFFFAOYSA-N	303.384	0.098	70	10	DCIE	
O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(CC2CC2)CC1	161211460	FNQRBNJRADMAOI-CYBMUJFWSA-N	304.398	0.330	70	10	DCIE	
NC(=O)NC1(C(=O)Nc2cccc(N3CCOCC3)c2)CC1	161485602	YWKIAGXCOQMXLP-UHFFFAOYSA-N	304.350	0.663	70	10	DCIE	
O=C(NC1(CO)CC1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1	160359656	QKKZIXQBUFNNJT-GFCCVEGCSA-N	309.410	0.992	70	10	DCIE	
Cc1ccc(S(N)(=O)=O)c(C(=O)N(C)[C@H]2CCO[C@@H]2C)c1	160509581	QGMUEBHUVJGCEX-PWSUYJOCSA-N	312.391	0.892	70	10	DCIE	
O=C(CCNC(=O)c1[nH]nc2ccccc12)NC1(CO)CC1	160534888	WHUAQUPENIEQSP-UHFFFAOYSA-N	302.334	0.324	70	10	DCIE	
CN(C)C(=O)NCCNC(=O)[C@H](C(N)=S)c1ccccc1	160878863	YRUKGFPBAYQJOX-NSHDSACASA-N	308.407	0.444	70	10	DCIE	
CNC(=O)COc1cccc(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1	160967169	JDIDWUMLYCHLSY-STQMWFEESA-N	320.389	0.990	70	10	DCIE	
O=S(=O)(Cl)CCCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1	1941408608	IJIVVLNSLHNCKN-DTWKUNHWSA-N	301.817	0.064	70	10	DCIE	
O=C([C@@H]1COc2ccccc2O1)N1CC(S(=O)(=O)F)C1	1968218343	UOQWELGBRAZLCL-NSHDSACASA-N	301.295	0.337	70	10	DCIE	
CCN(CC(=O)OC)S(=O)(=O)c1cc(N)cc(C)c1F	159503060	XXUFHROYRUDUAY-UHFFFAOYSA-N	304.343	0.900	70	10	DCIE	
COc1cnn(CCN(C)C)c1[C@@H](N)[C@H]1CSCCO1	161324545	NICWBGDUNYHMQF-NEPJUHHUSA-N	300.428	0.585	70	10	DCIE	
Cc1[nH]nc(C(=O)OC[C@@H]2COCCO2)c1S(=O)(=O)Cl	2154022348	FPMNHMSGAALDKB-ZETCQYMHSA-N	324.742	0.218	70	10	DCIE	
COc1nc(OCCO[C@@H]2CCOC2)ncc1[B-](F)(F)F	2172636169	RQCFLRNDKWKRDO-MRVPVSSYSA-N	307.057	0.724	70	10	DCIE	
O=C(c1ccc(O)c(O)c1)N1CC(CCS(=O)(=O)F)C1	2199691827	FNCIRBYZWVMJGA-UHFFFAOYSA-N	303.311	0.859	70	10	DCIE	
O=C(N1CCN(S(=O)(=O)F)CC1)C(F)(F)[C@@H]1CCOC1	2185238679	YYBARJRDXNAXPV-MRVPVSSYSA-N	316.301	0.017	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)CC1(S(C)(=O)=O)CC1	2048871814	DKZFGIYHXCHOHP-UHFFFAOYSA-N	317.860	0.844	70	10	DCIE	
Cn1c(C(=O)N2CCC(S(=O)(=O)F)CC2)cnc1Cl	2088470479	YAINQQJOJQTOMS-UHFFFAOYSA-N	309.750	0.977	70	10	DCIE	
CO[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)Cl)cn2C)C1	2089454032	XLMSNWGKCDLVDQ-OCAPTIKFSA-N	306.771	0.860	70	10	DCIE	
COCCn1c(CN2CCCC2)nnc1S(=O)(=O)Cl	2092370493	IEUHZFYWWGHQFB-UHFFFAOYSA-N	308.791	0.448	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCCSCC1	2271502395	JDMZCGOIJZRLLR-NXEZZACHSA-N	310.416	0.925	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21	2287077719	FFVYFDJYTCYDCG-ZRUFSTJUSA-N	306.359	0.206	70	10	DCIE	
CN[C@H]1CC[C@@H](C(C)C)C[C@@H]1N1CCN(S(C)(=O)=O)CC1	217961193	LVKDCRVQPVJNJG-ILXRZTDVSA-N	317.499	0.976	70	10	DCIE	
COCC(=O)N1C[C@H](Oc2ccccc2F)C[C@H]1C(=O)OC	217900236	SXWIKUQMKCQDQF-PWSUYJOCSA-N	311.309	0.993	70	10	DCIE	
O=S1(=O)C[C@H]2C[C@H]1CN2c1ncc([B-](F)(F)F)cc1F	2116153263	ORIPBMYULOVSML-SFYZADRCSA-N	309.073	0.651	70	10	DCIE	
CC(C)n1ncnc1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1351945910	IPVZNYZNFXESGZ-UHFFFAOYSA-N	315.330	0.775	70	10	DCIE	
CC[C@@](C)(NC(=O)c1cccc(S(=O)(=O)F)c1)C(N)=O	1538433258	XSCBXUYRXHYTCT-GFCCVEGCSA-N	302.327	0.729	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cc(Cl)cn2C)[nH]1	1923178803	UHPLSHPPOUAUCG-UHFFFAOYSA-N	320.733	0.744	70	10	DCIE	
NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2c[nH]c3ncccc23)C1	160205173	HVDITYDUQXDBSQ-NXEZZACHSA-N	322.390	0.885	70	10	DCIE	
Nc1ccc(Cl)c(CN2CCOC[C@@H]2C(=O)NC2CC2)n1	160389394	OLNVZBVFIIFUCZ-GFCCVEGCSA-N	310.785	0.797	70	10	DCIE	
NC(=O)NC(=O)CCN1CCCC[C@@H]1c1nnc2n1CCCC2	160659219	SYHZKXGJJNGIKK-LLVKDONJSA-N	320.397	0.726	70	10	DCIE	
O=S(=O)(N1CC[C@H](O)C1)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	1879798258	ZIACKHRAGWJTHA-UTLUCORTSA-N	313.130	0.611	70	10	DCIE	
C[C@@H]1CCCN(c2cnn(CCO)c(=O)c2Cl)[C@@H]1CN	159521491	NWNPAFVRDGDNHM-NXEZZACHSA-N	300.790	0.453	70	10	DCIE	
COC[C@H](N)[C@H](CO)Sc1ccc(S(C)(=O)=O)cc1	160204802	PCVHGUOJWWKPON-RYUDHWBXSA-N	305.421	0.517	70	10	DCIE	
CCn1cc(S(=O)(=O)N(C)CC2(O)CCCC2)c(N)n1	160989523	ZAIPXPZGHZHKPR-UHFFFAOYSA-N	302.400	0.411	70	10	DCIE	
Cc1cc(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)oc1C	2189108235	RVVYGKUTOUTQBU-UHFFFAOYSA-N	301.299	0.962	70	10	DCIE	
CC1CCN(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)CC1	2088469912	RUFYQQMJBSUWGT-SNVBAGLBSA-N	314.404	0.337	70	10	DCIE	
Cc1cncc(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)c1	2088472059	MYYIZQZAEXSFBS-VIFPVBQESA-N	308.356	0.452	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@H]2[C@@H](C1)C2(F)F	2287071285	IEZDKVQBPOEVCW-XSPKLOCKSA-N	312.313	0.683	70	10	DCIE	
Cc1nc(O[C@H]2CCN(S(C)(=O)=O)C2)ncc1[B-](F)(F)F	2285594783	CHHHEENJKACIFA-QMMMGPOBSA-N	324.113	0.252	70	10	DCIE	
COc1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cn1	2287076978	BUKNYTMWBMJZPG-VIFPVBQESA-N	303.315	0.109	70	10	DCIE	
CN1CCC[C@H](CC(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2287076549	JJFONTGXJRWDLY-GHMZBOCLSA-N	307.391	0.123	70	10	DCIE	
COCCNC(=O)[C@H](C)n1cc(S(=O)(=O)Cl)nc1C	215844852	AKCVLBPGLDSYQH-ZETCQYMHSA-N	309.775	0.443	70	10	DCIE	
CNC(=O)CCS(=O)(=O)Cc1ccc(S(=O)(=O)F)cc1	857222953	ZMNYXIBLXUGDJC-UHFFFAOYSA-N	323.367	0.396	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1CCO[C@H]2C[C@@H]21	2115269057	HSGPYOKRVHJCDH-WPRPVWTQSA-N	304.755	0.566	70	10	DCIE	
Cn1nnc2cccc([C@H]3CC(=O)N3S(=O)(=O)Cl)c21	2127822628	YALUXTYSMWAPHH-MRVPVSSYSA-N	300.727	0.725	70	10	DCIE	
CCc1nn(CC(=O)NC(N)=O)c(CC)c1S(=O)(=O)Cl	215921835	PUGPQMVEODXDDJ-UHFFFAOYSA-N	322.774	0.130	70	10	DCIE	
Cc1cc(S(=O)(=O)NCCCN(C)C)cc(CN)c1F	217498793	ZDPMPJVUNOQDEF-UHFFFAOYSA-N	303.403	0.823	70	10	DCIE	
O=S(=O)(NCc1ccc(F)cc1)N1CCC(CO)CC1	218688984	UPDJQMZNVMCDAF-UHFFFAOYSA-N	302.371	0.864	70	10	DCIE	
C[C@H](CNC[C@@H]1CCCN(S(C)(=O)=O)C1)N(C)C1CC1	218679796	XPPMHYAIBRJTDS-OLZOCXBDSA-N	303.472	0.730	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ccc(F)cn2)[nH]1	1923174068	NDBSAXBHALYUSE-UHFFFAOYSA-N	302.262	0.287	70	10	DCIE	
Cc1noc([C@H](C)N2CCN(C(=O)C[C@@H](O)C(C)C)CC2)n1	159662171	BDKUJDPKPSMZEE-WCQYABFASA-N	310.398	0.990	70	10	DCIE	
CC[C@](C)(C(=O)N1CCOC[C@H]1C(=O)NC1CC1)C(N)=S	159780536	PTLXBOHFOHDJKA-HZMBPMFUSA-N	313.423	0.195	70	10	DCIE	
CS(=O)(=O)CC1CC(Oc2ncc([B-](F)(F)F)cn2)C1	2142479638	PBQZPJMKJUJRGR-UHFFFAOYSA-N	309.098	0.733	70	10	DCIE	
Cc1cc(C)nc(C(=O)N2CCN(S(=O)(=O)F)CC2)c1	1974015633	WDZGFMQEBHQVFI-UHFFFAOYSA-N	301.343	0.671	70	10	DCIE	
C[C@H]1C[C@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)CCO1	1974394662	MYEWSBSJRUBBKD-VHSXEESVSA-N	308.375	0.596	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccnc(Cl)c1	2271495690	PGXVGDFKOXCJJE-QMMMGPOBSA-N	307.734	0.753	70	10	DCIE	
CCc1noc(C)c1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287079519	MHGWNOPXGBUZMS-MRVPVSSYSA-N	305.331	0.564	70	10	DCIE	
C[C@@H](CC(F)(F)F)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271486705	AHGSJAPDFYZUHO-NKWVEPMBSA-N	306.281	0.980	70	10	DCIE	
Cc1nsc(N2CCC[C@H](CNC(=O)[C@@H]3CCCN3)C2)n1	217048451	RQACOMHUUTUDEE-NEPJUHHUSA-N	309.439	0.931	70	10	DCIE	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NCC(=O)NCC#N	1525373044	VJMCKGWUIDYUPC-UHFFFAOYSA-N	313.310	0.023	70	10	DCIE	
C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1nn(C)cc1O	1646320284	XEADTGGUCMZCAY-ZCFIWIBFSA-N	316.314	0.603	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)C[C@H]2COCCN2)c1	160315249	SALBONLYBUWSJQ-VIFPVBQESA-N	314.363	0.113	70	10	DCIE	
CSCCCC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O	160681158	FDEBEUDELIYQIL-WDEREUQCSA-N	308.469	0.964	70	10	DCIE	
C[C@H](NCCNC(=O)N(C)C)c1cccc(S(N)(=O)=O)c1	160744297	PXPNXHUXZOWWGJ-JTQLQIEISA-N	314.411	0.256	70	10	DCIE	
O=C(c1ccnc(Br)c1)N1CC(S(=O)(=O)F)C1	1968215765	MCYGMKPZUDCLHT-UHFFFAOYSA-N	323.143	0.968	70	10	DCIE	
COc1nn(Cc2cn(C)nn2)c(OC)c1S(=O)(=O)Cl	2149826245	CPZRVWIBEMQLJQ-UHFFFAOYSA-N	321.746	0.005	70	10	DCIE	
Nc1cccc(Cl)c1C(=O)NCC1CN(S(=O)(=O)F)C1	1974060351	SRTJUARRIQQOCV-UHFFFAOYSA-N	321.761	0.798	70	10	DCIE	
C[C@@H]1CC[C@@H](CN)CN1c1cnn(CCO)c(=O)c1Cl	159530425	NAKLPNHOQUFZFW-ZJUUUORDSA-N	300.790	0.453	70	10	DCIE	
CCCNc1nnc(C(=O)N2CCS(=O)(=O)CC2)s1	160079166	BZTXNNYLWUBFGP-UHFFFAOYSA-N	304.397	0.231	70	10	DCIE	
C[C@@H]1C[C@@H]1CNS(=O)(=O)N1CCC[C@H](CNC2CC2)C1	160815145	BTUWPLUKZAYRQS-JHJVBQTASA-N	301.456	0.941	70	10	DCIE	
Cc1nc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)ccc1[B-](F)(F)F	2172781618	HEYYQNOHGJNJTO-AOOOYVTPSA-N	319.137	0.925	70	10	DCIE	
C[C@H]1CC[C@H](CC(=O)NC2CCN(S(=O)(=O)F)CC2)O1	2169021226	MBYBKGHTPMXSSK-GXSJLCMTSA-N	308.375	0.739	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)N2CCCCCC2)C1	2088469687	PPRHMAMIBVDLFW-SNVBAGLBSA-N	314.404	0.481	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@@]1(F)CCOC1	2238277154	ODBPTNMNMMJZFF-NSHDSACASA-N	324.761	0.811	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C(F)(F)CC1CC1	2271492856	CMGUJQDOWRCEHK-MRVPVSSYSA-N	300.302	0.827	70	10	DCIE	
O=S(=O)(CCc1ccccc1)NC1CN(S(=O)(=O)F)C1	2284117307	AGMXAGSAAAKJKH-UHFFFAOYSA-N	322.383	0.047	70	10	DCIE	
Nc1cc(F)c(F)cc1C(=O)N1CC(CS(=O)(=O)F)C1	2286916815	NZQUKTXRTLRPQB-UHFFFAOYSA-N	308.281	0.918	70	10	DCIE	
Cc1nc(C=CC(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cs1	2287069029	KZDLQFIDALKKIU-SECBINFHSA-N	319.383	0.870	70	10	DCIE	
COc1cc(C(=O)Nc2nnnn2C)ccc1S(=O)(=O)F	1127465265	FBVRBARGTWYAPR-UHFFFAOYSA-N	315.286	0.129	70	10	DCIE	
COC(=O)[C@@H](F)CNC(=O)c1ccc(S(=O)(=O)F)cc1	895047219	IVMPVWTVGIFPIW-VIFPVBQESA-N	307.274	0.586	70	10	DCIE	
O=C(NC[C@@H]1[C@H]2CCO[C@@H]12)c1cc(S(=O)(=O)Cl)c[nH]1	2119903166	LUPFIQXLZADQKK-NQMVMOMDSA-N	304.755	0.707	70	10	DCIE	
O=C(OC1COC1)[C@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1	123188310	BOKANRDNBXKOAJ-LLVKDONJSA-N	318.734	0.860	70	10	DCIE	
O=C(COc1ccc(N2CCCC2=O)cc1)NC1(CO)CC1	160350538	QNTITPYLBVQTOC-UHFFFAOYSA-N	304.346	0.833	70	10	DCIE	
Cc1cc(O)ccc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974055611	TXJNYEBSSURYHI-UHFFFAOYSA-N	302.327	0.577	70	10	DCIE	
CS(=O)(=O)C[C@H]1CCN(CCCCS(=O)(=O)Cl)C1	2027166393	IBVDGVKZDIPRSC-JTQLQIEISA-N	317.860	0.702	70	10	DCIE	
O=S(=O)(Cl)CCOCCOCCO[C@@H]1CCOC1	2027120566	VOITXAPISBLXDM-SNVBAGLBSA-N	302.776	0.394	70	10	DCIE	
CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)c1ccncc1[B-](F)(F)F	2172782623	UTIUNCXSRZIPIY-GHMZBOCLSA-N	323.125	0.384	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@]12COC[C@@H]1C2	718094904	HLTGMSNNUYIUJT-QPUJVOFHSA-N	318.782	0.954	70	10	DCIE	
C#CCNC(=O)COc1ccc(S(=O)(=O)F)c(F)c1F	2191429934	FGVAQVDRWAQBQZ-UHFFFAOYSA-N	307.249	0.751	70	10	DCIE	
COCCn1c([C@@]23CC[C@@H](CO2)C3)nnc1S(=O)(=O)Cl	2199142934	JRHUSQFUVHQXTA-KCJUWKMLSA-N	321.786	0.878	70	10	DCIE	
O=C(COCc1ccccc1)N[C@@H]1CCN(S(=O)(=O)F)C1	2241917738	VFOOVFJQMFKFJD-GFCCVEGCSA-N	316.354	0.608	70	10	DCIE	
Cc1nc(C=CC(=O)NC2CN(S(=O)(=O)F)C2)cs1	2268803167	BYLIJAXVLDNVPG-UHFFFAOYSA-N	305.356	0.479	70	10	DCIE	
CSc1ncccc1C(=O)NC1CN(S(=O)(=O)F)C1	2268803833	LMDZTEJECGCYHU-UHFFFAOYSA-N	305.356	0.432	70	10	DCIE	
C#C[C@@]1(O)CCN(C(=O)c2ccccc2S(=O)(=O)Cl)C1	707974221	GLVHHXGZVPJKOO-CYBMUJFWSA-N	313.762	0.824	70	10	DCIE	
Cn1ncc(Cl)c1C(=O)N1CC(CCS(=O)(=O)F)C1	2134980186	AGZIRMGYNUJSMP-UHFFFAOYSA-N	309.750	0.835	70	10	DCIE	
O=[N+]([O-])c1nn(CCS(=O)(=O)F)cc1Br	883953705	HDXFMQHZNDYPBJ-UHFFFAOYSA-N	302.081	0.853	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@@H]2COC[C@@H]2C)c1S(=O)(=O)Cl	703437025	BLROUQSVEKQXML-CAHLUQPWSA-N	308.743	0.837	70	10	DCIE	
CN(C)CCN1CCN(c2ccc([B-](F)(F)F)cn2)CC1	2172786391	RBQWZPQIPROSAZ-UHFFFAOYSA-N	301.145	0.820	70	10	DCIE	
Cc1nc(Cl)cc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)n1	2287062878	KRSQLZUAQGLEKW-SSDOTTSWSA-N	322.749	0.457	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@H](C)C(=O)O	2339815324	INNTWHHIOKVJRI-BYPYZUCNSA-N	311.703	0.748	70	10	DCIE	
CS(=O)(=O)N1CCC[C@H](C[C@@H](NN)c2cncc(F)c2)C1	217366124	ITOVYELWMRZQJI-ZWNOBZJWSA-N	316.402	0.787	70	10	DCIE	
COC[C@@]12CCO[C@H]1CN(c1ncc([B-](F)(F)F)cn1)C2	2361567642	HWXSYLIHESFZEB-JQWIXIFHSA-N	302.085	0.773	70	10	DCIE	
O=C(Cc1ccc(F)cc1F)NC[C@@H](O)Cn1ccccc1=O	218446188	ZWBOTOIHSKEUGZ-CYBMUJFWSA-N	322.311	0.846	70	10	DCIE	
C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(S(=O)(=O)F)C1	1954655854	JYRJLLZBDGWRIT-NKWVEPMBSA-N	306.281	0.980	70	10	DCIE	
CCN1CCC[C@H]1CNS(=O)(=O)c1cc(CN)n(C)c1	217518087	KGFIVJDTXOENMF-NSHDSACASA-N	300.428	0.246	70	10	DCIE	
CN1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@@H]21	1520301814	AOKHFWIWVATSSU-CABZTGNLSA-N	315.370	0.839	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ncnc2c1CCC2	203538864	GHJSAQVICXISIO-UHFFFAOYSA-N	310.784	0.308	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)C[C@@H]1CC[C@H](F)C1	1945230095	GVIVWBFMXBXBIW-SFYZADRCSA-N	307.796	0.613	70	10	DCIE	
Cc1nn(C)c(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)c1Cl	1968235401	KZZLHDUUSLHLKT-SSDOTTSWSA-N	309.750	0.896	70	10	DCIE	
Cc1nscc1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974395322	ZHCJONAFUJIWRY-UHFFFAOYSA-N	307.372	0.860	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2C[C@]2(C)OC)c1S(=O)(=O)Cl	694417057	OLUZFAVIVYBSDI-HQJQHLMTSA-N	321.786	0.807	70	10	DCIE	
COCCn1c(CCOC2CC2)nnc1S(=O)(=O)Cl	716960899	VQPNTRHLBONQBD-UHFFFAOYSA-N	309.775	0.574	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1C[C@H]2COC[C@@H]2C1	718195368	SMSSBQSTKCYBCF-IUCAKERBSA-N	318.782	0.671	70	10	DCIE	
NC(=O)NC(=O)COc1c(F)cc(S(=O)(=O)F)cc1F	2191424231	PTDJEGULDOMQPV-UHFFFAOYSA-N	312.225	0.197	70	10	DCIE	
Cc1noc2ncnc(N3CCn4nc([C@@H](O)CO)cc4C3)c12	217138365	AOYUUVWRZBPPKY-NSHDSACASA-N	316.321	0.169	70	10	DCIE	
Cc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)c(C)c1	2284119641	OHKYTKAQYOBOIN-UHFFFAOYSA-N	322.383	0.480	70	10	DCIE	
CC1(C)C[C@@H](CC(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CO1	2287079881	OKAQOSIPCWBGIM-ZJUUUORDSA-N	308.375	0.596	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1OC[C@H]2CCC[C@@H]21	2287077711	FFVYFDJYTCYDCG-CHWFTXMASA-N	306.359	0.206	70	10	DCIE	
CN1CCC(CC(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CC1	2287064350	AFFAHTLJRVRHJB-NSHDSACASA-N	307.391	0.123	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cc(O)ccc1O	2287064890	HEDWGCBNAITADF-SSDOTTSWSA-N	304.299	0.116	70	10	DCIE	
COc1ccc(S(=O)(=O)Cl)cc1NS(N)(=O)=O	101792654	OXBJHZKPHLLTDK-UHFFFAOYSA-N	300.745	0.238	70	10	DCIE	
CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC	218569975	FDZVMFLZGHFEBB-GXSJLCMTSA-N	301.387	0.788	70	10	DCIE	
COC[C@H]1C[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	2117727218	GHNJOEJLGJRLRX-APPZFPTMSA-N	306.771	0.717	70	10	DCIE	
CCN(CCNC[C@H](C)O)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1273609989	GUHQCXGFAQUWLQ-VIFPVBQESA-N	321.374	0.105	70	10	DCIE	
CC(C)N1C[C@H](C)[C@@H](NC(=O)CCSc2nnnn2C)C1	161388548	SAMPDHOJSYTPIV-QWRGUYRKSA-N	312.443	0.537	70	10	DCIE	
COc1ccc(N)cc1S(=O)(=O)NCCNC(=O)C1CC1	160650629	ABRUNDPRQNZPRQ-UHFFFAOYSA-N	313.379	0.082	70	10	DCIE	
CCOC(CCN1CCC[C@H](C(=O)NCCN)C1)OCC	159558594	OPKQUBAYKHNXHD-ZDUSSCGKSA-N	301.431	0.563	70	10	DCIE	
CC(C)[C@H](C(=O)N1CCOC[C@H]1C(=O)NC1CC1)C(N)=S	159782453	QCWCYFUZHZFVLE-QWRGUYRKSA-N	313.423	0.051	70	10	DCIE	
COc1nn(Cc2ncnn2C)c(OC)c1S(=O)(=O)Cl	2149827169	MPWHHGCKGRAQKF-UHFFFAOYSA-N	321.746	0.005	70	10	DCIE	
O=C(c1c[nH]nc1C1CC1)N1CCN(S(=O)(=O)F)CC1	1974001122	NNGYLWLENJIVMD-UHFFFAOYSA-N	302.331	0.259	70	10	DCIE	
CC1(C)CN(CCCS(=O)(=O)Cl)CCS1(=O)=O	2003949188	QLFUGJJDDMPCIU-UHFFFAOYSA-N	303.833	0.454	70	10	DCIE	
COCCOCCCCNS(=O)(=O)c1ccc(CO)o1	160354125	AQEHCEMXFFXYTI-UHFFFAOYSA-N	307.368	0.493	70	10	DCIE	
O=S(=O)(Cl)c1nnc([C@@H]2CO[C@@H]3COC[C@@H]32)n1C1CC1	2158057382	OIVNWEMFZQTECF-IWSPIJDZSA-N	319.770	0.669	70	10	DCIE	
COCCn1c([C@@H]2CCN(C)C2)nnc1S(=O)(=O)Cl	386313583	MHZPOJLDRLVKDW-MRVPVSSYSA-N	308.791	0.271	70	10	DCIE	
CCCc1nccnc1S(=O)(=O)CCS(=O)(=O)Cl	699523222	OENQNLXQWVEXQN-UHFFFAOYSA-N	312.800	0.771	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2[C@@H]3COC[C@H]2C3)c1	2198728010	WBINCWBMNJZDSV-DTORHVGOSA-N	321.351	0.507	70	10	DCIE	
CN(CC1(F)COCCOC1)c1ncc([B-](F)(F)F)cn1	2187207739	FSOYLYJDCTYONX-UHFFFAOYSA-N	308.064	0.722	70	10	DCIE	
Cc1cc(=O)c(C(=O)N2CC(CCS(=O)(=O)F)C2)c[nH]1	2199689486	RDLDBJXTPNWVMF-UHFFFAOYSA-N	302.327	0.445	70	10	DCIE	
CN1CCOC[C@@H]1c1nnc(S(=O)(=O)Cl)n1C1CC1	2099566246	NRRHTRYMQGUQOH-MRVPVSSYSA-N	306.775	0.544	70	10	DCIE	
CN1CCOC[C@H]1Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	2283075819	JMFUYSCSOBVALM-SSDOTTSWSA-N	324.746	0.049	70	10	DCIE	
O=C(C[C@H]1CCC1(F)F)N1CCN(S(=O)(=O)F)CC1	2335375132	WPMKMCMNQUQHBR-MRVPVSSYSA-N	300.302	0.780	70	10	DCIE	
CCN1C[C@H](Cn2cc(S(=O)(=O)Cl)nc2C)OC1=O	690560877	ZXCCFXMFFDMUBI-MRVPVSSYSA-N	307.759	0.960	70	10	DCIE	
COCCn1nnnc1Sc1ncccc1[B-](F)(F)F	2116092516	LYTHVJJOTJKDLX-UHFFFAOYSA-N	304.086	0.920	70	10	DCIE	
COCC1(NC(=O)c2cc(S(=O)(=O)Cl)c[nH]2)COC1	2132748673	QYPHRFHSGSUODR-UHFFFAOYSA-N	308.743	0.087	70	10	DCIE	
CN(C)CC(C)(C)CNS(=O)(=O)N1CCC(CO)CC1	217297500	MKFQWYOGUCVRKF-UHFFFAOYSA-N	307.460	0.113	70	10	DCIE	
O=C(NC[C@H](NCCF)C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1566724580	LIGTYHAMLFHNLD-NSHDSACASA-N	321.349	0.740	70	10	DCIE	
Nc1cc(S(=O)(=O)NCCNC(=O)C2CC2)c(F)cc1F	160650758	ZTKCYOGJZYPMFG-UHFFFAOYSA-N	319.333	0.352	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2c(N)ccc(C)c2C)CCOC1	159916744	DGONSPJHHQESJD-CQSZACIVSA-N	314.407	0.969	70	10	DCIE	
CN(C)c1cc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)ccn1	1968235734	OKUAQEFCYNRZEP-SNVBAGLBSA-N	301.343	0.661	70	10	DCIE	
CCn1nc(C(=O)N2CCN(S(=O)(=O)F)CC2)cc1C	1974001434	TUNXNPWHUJVVAS-UHFFFAOYSA-N	304.347	0.184	70	10	DCIE	
CCNc1nnc(C(=O)NC[C@H]2CCS(=O)(=O)C2)s1	160096941	BKKSUIIPILIZRN-SSDOTTSWSA-N	304.397	0.134	70	10	DCIE	
CCS(=O)(=O)[C@@H]1CSCCN1C(=O)c1nnc(N)s1	160375979	RNRNVYDFZQOQJR-ZCFIWIBFSA-N	322.437	0.070	70	10	DCIE	
CCN(CC)S(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2028130779	RIGSRBPRTFDJKP-VIFPVBQESA-N	302.393	0.337	70	10	DCIE	
COc1n[nH]cc1C(=O)Nc1ccc(S(=O)(=O)F)nc1	2283783669	LGTSLIDSBORQAE-UHFFFAOYSA-N	300.271	0.724	70	10	DCIE	
CC(C)=CNC(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1	218392693	BZYZRWYCJGWWHH-LBPRGKRZSA-N	303.428	0.670	70	10	DCIE	
COCCn1c([C@H]2CO[C@@H](C)C2)nnc1S(=O)(=O)Cl	133662217	CTSNTJGBISCZOP-JGVFFNPUSA-N	309.775	0.744	70	10	DCIE	
CCc1[nH]nc(C(=O)N(C)C[C@@H]2CCO2)c1S(=O)(=O)Cl	2366929878	IGXPQIKSBNRHSE-ZETCQYMHSA-N	321.786	0.761	70	10	DCIE	
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](CC(=O)NCCO)C1	160788418	NOSJTXZWGNSWHM-GHMZBOCLSA-N	302.371	0.103	70	10	DCIE	
Cc1ncnc(N(C)[C@@H](C)CS(C)(=O)=O)c1[B-](F)(F)F	2116131834	DZFCHPJTAGKZQS-ZETCQYMHSA-N	310.130	0.709	70	10	DCIE	
O=S(=O)(Cl)c1cccnc1OCCN1CCOCC1	2119257940	RMRDLNGDQHHKQR-UHFFFAOYSA-N	306.771	0.720	70	10	DCIE	
CCn1nccc1[C@H](O)C[C@H]1CCCN(S(C)(=O)=O)C1	160328469	DHWZXULVCBFIHM-DGCLKSJQSA-N	301.412	0.998	70	10	DCIE	
C[C@@H](CO)N(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1	160395099	CFKMEWHSKJSDDL-WDEREUQCSA-N	304.350	0.164	70	10	DCIE	
Cc1c(CN2CCNCC2)cc(N)cc1OS(=O)(=O)F	1887519603	BRKRJFKVUVQTBG-UHFFFAOYSA-N	303.359	0.576	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccnc(F)c1F	1974054638	GKIQISQWVPOMJR-UHFFFAOYSA-N	309.269	0.236	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1C[C@@H]2CC[C@H](C1)O2	1974055055	MDEBHDFZAKKISN-FGWVZKOKSA-N	306.359	0.206	70	10	DCIE	
Cc1nc(N)sc1S(=O)(=O)NC[C@@H](C)N1CCCC1	161300464	PFHZCSIPYNOWSD-MRVPVSSYSA-N	304.441	0.796	70	10	DCIE	
CC(C)c1nc(S(=O)(=O)Cl)cn1[C@@H]1CC(=O)N(C)C1=O	2152396067	JCJPUUVWYNMICX-SSDOTTSWSA-N	319.770	0.864	70	10	DCIE	
CCCn1c([C@H]2CN(C)CCN2C)nnc1S(=O)(=O)Cl	2155748573	KNXLDGWBXGTXIF-SECBINFHSA-N	321.834	0.534	70	10	DCIE	
Cc1nc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)n(C)n1	707892341	JSGCOJKBXNBERJ-UHFFFAOYSA-N	320.718	0.204	70	10	DCIE	
Cc1ccc(C)c(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)c1	2284120376	SWBWFJMBVMJIEW-UHFFFAOYSA-N	322.383	0.480	70	10	DCIE	
CN1C[C@H](NC(=O)CCC(=O)c2ccc(F)cc2)C[C@H]1CO	218261475	ORNZPMFAJYHBGH-KGLIPLIRSA-N	308.353	0.970	70	10	DCIE	
COc1ccc(CCNC(=O)N(CCN)C(C)=O)cc1OC	217308058	ZSWAWBUVTGZCDD-UHFFFAOYSA-N	309.366	0.763	70	10	DCIE	
C=CCN[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C	939158450	KZHNASJRWUEIFV-CABZTGNLSA-N	315.370	0.909	70	10	DCIE	
C#C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1	166839085	WRKCPLBFQJFHEQ-QMMMGPOBSA-N	307.780	0.914	70	10	DCIE	
C[C@H]1CCCN(S(=O)(=O)NC[C@H](O)COCC2CC2)C1	160708962	VALSVJUAQIMFHD-AAEUAGOBSA-N	306.428	0.340	70	10	DCIE	
CCNc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)C)cn1	159970479	HRBFUHSJXYODFA-UHFFFAOYSA-N	314.411	0.706	70	10	DCIE	
CCS(=O)(=O)CCN(C)CCCCS(=O)(=O)Cl	2003995586	PROOJYXLFAWWPG-UHFFFAOYSA-N	305.849	0.702	70	10	DCIE	
O=C(c1cn(C2CC2)nn1)N1CCC(S(=O)(=O)F)CC1	2153884525	SNSZAQAGLJSZQW-UHFFFAOYSA-N	302.331	0.517	70	10	DCIE	
COCCOCCCOc1ncc([B-](F)(F)F)c(OC)n1	2172635921	NQRUTNZOWLQAQB-UHFFFAOYSA-N	309.073	0.972	70	10	DCIE	
CN1CC(=O)N(CC(=O)N2CCC[C@H]([B-](F)(F)F)C2)C1=O	2190462108	UBDLBFZLVSOERF-QMMMGPOBSA-N	306.073	0.720	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1CCC1(F)F	2335327262	XMUOGSYKNJUWIU-RXMQYKEDSA-N	314.697	0.922	70	10	DCIE	
C[C@H]1CCC[C@H](CS(=O)(=O)N2CC(S(=O)(=O)F)C2)O1	2338871774	QCJYCXRWZANQSS-DTWKUNHWSA-N	315.388	0.257	70	10	DCIE	
NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(=O)[nH]n2)cc1	217303790	AKYTZOIIGHPKTB-UHFFFAOYSA-N	309.307	0.061	70	10	DCIE	
CO[C@@H]1CC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	724418622	GTZIBBDJABCGQO-PSASIEDQSA-N	306.771	0.860	70	10	DCIE	
CCC(=O)NC/C=C\CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1501616891	OPKSHOCROFRDGI-ARJAWSKDSA-N	317.342	0.485	70	10	DCIE	
CC[C@]1(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CCCO1	1923166624	BNXWACVTJARXHS-LLVKDONJSA-N	305.331	0.398	70	10	DCIE	
Cn1cc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(N)n1	160339563	PHSQECASJORUPF-MFKMUULPSA-N	314.411	0.318	70	10	DCIE	
O=C(NC[C@@H](O)c1ccc(F)cc1)N[C@H]1CCc2ncnn2C1	160939710	LWCYMYOCBOZQKZ-QWHCGFSZSA-N	319.340	0.765	70	10	DCIE	
CC(C)(C)NC(=O)CNc1nc(Cl)nc(-n2cncn2)n1	159940225	OLQJFLSFPKGOEV-UHFFFAOYSA-N	310.749	0.432	70	10	DCIE	
Cc1cc(C(=O)N2CCN(S(=O)(=O)F)CC2)ccc1O	1974001573	WHXRCJKQLGHHGQ-UHFFFAOYSA-N	302.327	0.673	70	10	DCIE	
O=C(C[C@@H]1C[C@@H]1C(F)(F)F)NCC1CN(S(=O)(=O)F)C1	2185243943	VIJNQJTUIUNWBF-YUMQZZPRSA-N	318.292	0.837	70	10	DCIE	
CO[C@@H]1CS(=O)(=O)C[C@H]1Oc1ccc(S(=O)(=O)F)cc1	2191430430	CFLJHQADRFFCDE-GHMZBOCLSA-N	324.351	0.536	70	10	DCIE	
COC1(C(=O)N2CC(CCS(=O)(=O)F)C2)CCOCC1	2199684939	WSMMGPRQXODSBZ-UHFFFAOYSA-N	309.359	0.330	70	10	DCIE	
O=S(=O)(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCC[C@@H]1F	2271516244	MQYDWOJMKUPBPL-HRDYMLBCSA-N	318.367	0.085	70	10	DCIE	
O=S1(=O)C[C@H]2CN(c3ncc([B-](F)(F)F)cc3F)C[C@@H]21	2336508294	LQRDOEHESRAJRR-MUWHJKNJSA-N	309.073	0.508	70	10	DCIE	
Nc1cccc(-c2nnnn2[C@@H]2CCS(=O)(=O)C2)c1Cl	161370945	LEWFAOVTAVPMEP-SSDOTTSWSA-N	313.770	0.935	70	10	DCIE	
O=S1(=O)CC[C@@H]2CN(c3ccc([B-](F)(F)F)cn3)C[C@@H]21	2116148837	VVDQQQOCMHZKOL-SCZZXKLOSA-N	305.110	0.759	70	10	DCIE	
O=C(c1cccnc1Br)N1CC(S(=O)(=O)F)C1	1968216310	WEOPSODOTVICKX-UHFFFAOYSA-N	323.143	0.968	70	10	DCIE	
CO[C@H](C(=O)N1CCC[C@@H](S(=O)(=O)F)C1)[C@H]1CCOC1	2150280129	JICDKNNRBOTXKV-AXFHLTTASA-N	309.359	0.328	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2C[C@H]3C[C@H]2CO3)cc1	387741529	QEIDJMWNBMXVNS-DTWKUNHWSA-N	321.351	0.507	70	10	DCIE	
C[C@@]1(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)CCCO1	2096619052	WDEBWEXPNNULQF-JTQLQIEISA-N	308.743	0.446	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2CCOC[C@@H]2C)c1S(=O)(=O)Cl	305917196	BCNFAQORDCKVNP-XPUUQOCRSA-N	321.786	0.800	70	10	DCIE	
CC1(C)COC[C@@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	2361340625	RKWCWLCHYPCPDH-SNVBAGLBSA-N	308.375	0.454	70	10	DCIE	
CC(=O)N(CCN)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	217287365	KMFDAXCPXWRSKL-CQSZACIVSA-N	318.377	0.304	70	10	DCIE	
O=S(=O)(Cl)C[C@]12C[C@H]1CO[C@@]21CCS(=O)(=O)C1	958532251	DZOZCYJUKBHQTO-DJLDLDEBSA-N	300.785	0.149	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)NN2CCCC2)cc1	686787511	MJRFRUBKRSAAKS-UHFFFAOYSA-N	308.356	0.634	70	10	DCIE	
O=[N+]([O-])c1nn(Cc2cnccn2)cc1S(=O)(=O)Cl	710585585	BFCRQOPNFYRFRP-UHFFFAOYSA-N	303.687	0.557	70	10	DCIE	
CS(=O)(=O)[C@H]1CCCN(c2ncncc2[B-](F)(F)F)C1	2116137946	GEAMYNYZTVHHIJ-QMMMGPOBSA-N	308.114	0.544	70	10	DCIE	
COc1ccc(NS(=O)(=O)N2CCCC[C@H]2CO)cn1	218054063	HIWIFJGNJJOPDP-NSHDSACASA-N	301.368	0.594	70	10	DCIE	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(S(=O)(=O)Cl)c1C#N	158941684	XSKPAOZYUQZSFM-ZETCQYMHSA-N	323.783	0.350	70	10	DCIE	
CCn1nccc1[C@@H](O)C[C@@H]1CCCN(S(C)(=O)=O)C1	160328322	DHWZXULVCBFIHM-AAEUAGOBSA-N	301.412	0.998	70	10	DCIE	
C[C@H]1CN(c2cnn(CCN(C)C)c(=O)c2Cl)CC[C@@H]1N	159790034	VPTITQJBZJTHBX-QWRGUYRKSA-N	313.833	0.632	70	10	DCIE	
C[C@@H](CC(=O)NCC1CN(S(=O)(=O)F)C1)C(F)(F)F	1974058225	DECGYUVVFIFNOJ-LURJTMIESA-N	306.281	0.837	70	10	DCIE	
O=C(NC[C@@H]1[C@@H]2CCOC[C@@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2150069900	WLVBSROLPCRLAF-AEJSXWLSSA-N	318.782	0.955	70	10	DCIE	
O=C(c1cnn2c1CCCC2)N1CC[C@H](S(=O)(=O)F)C1	2183296021	WVCFHOYJVTXKHW-VIFPVBQESA-N	301.343	0.733	70	10	DCIE	
O=C(c1cnn2c1CCCC2)N1CC(CS(=O)(=O)F)C1	2199690050	VRFKFNXPDSXYMX-UHFFFAOYSA-N	301.343	0.591	70	10	DCIE	
CC1(C)CCC[C@H](C(=O)NCC2CN(S(=O)(=O)F)C2)O1	2235195925	JMODULMHVXNLQE-SNVBAGLBSA-N	308.375	0.596	70	10	DCIE	
O=S(=O)(Cl)c1cnn(CCN2C[C@@H]3CC[C@H](C2)O3)c1	2226947244	JUDJLLTUNBLZJX-AOOOYVTPSA-N	305.787	0.674	70	10	DCIE	
CS(=O)(=O)N1CCC[C@@H](Oc2ncc([B-](F)(F)F)cn2)C1	2285595315	KLSSOLLLBNEWIG-SECBINFHSA-N	324.113	0.334	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C1CC2(CCOC2)C1	2287066352	WADAARAOWKSNKV-SQLBVSGCSA-N	306.359	0.208	70	10	DCIE	
COCC(CCOCCOCCS(=O)(=O)Cl)COC	2131015238	XOBCHJNVSSKKTG-UHFFFAOYSA-N	318.819	0.887	70	10	DCIE	
Cc1cn(C)nc1Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	723953896	JUGHBRPHROFAHM-UHFFFAOYSA-N	319.730	0.809	70	10	DCIE	
C[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	699720496	BHIXFHOPPBUETO-LDYMZIIASA-N	323.367	0.658	70	10	DCIE	
Cc1[nH]nc(C(=O)N2CCO[C@@H]3C[C@H]32)c1S(=O)(=O)Cl	2115272659	XZFMTNJZZZTFMA-RNFRBKRXSA-N	305.743	0.259	70	10	DCIE	
C[C@@H](COCCOCCS(=O)(=O)Cl)N1CCOCC1	2130302952	KZKSLOHPEBOUDG-NSHDSACASA-N	315.819	0.309	70	10	DCIE	
CCN(CC(=O)N1CC(S(=O)(=O)F)C1)C(=O)OC(C)(C)C	1897481079	JHNIVRZKMQVUCL-UHFFFAOYSA-N	324.374	0.754	70	10	DCIE	
CCO[C@]1(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)CCOC1	1968235486	LSXVUQBQJBEMGS-ZYHUDNBSSA-N	309.359	0.472	70	10	DCIE	
COc1ccnc(C(=O)N2CCN(S(=O)(=O)F)CC2)c1	1974001364	RRSYPBVAQAQVKN-UHFFFAOYSA-N	303.315	0.062	70	10	DCIE	
COCCn1c(Cc2ccn(C)n2)nnc1S(=O)(=O)Cl	709884440	VENWSNCKGTZZQW-UHFFFAOYSA-N	319.774	0.176	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@@H]1CCC(=O)N1	380307793	HKMKQLXMLAIQOT-LURJTMIESA-N	322.730	0.306	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1C[C@H]2COC[C@@H]2C1	718191220	CJPFWNCLHRFHSN-YUMQZZPRSA-N	304.755	0.661	70	10	DCIE	
Cc1nn(CC2CS(=O)(=O)C2)c(C)c1S(=O)(=O)Cl	723179562	SJKAHTSKALAFTE-UHFFFAOYSA-N	312.800	0.472	70	10	DCIE	
CN(C)S(=O)(=O)c1nccn1-c1ccncc1[B-](F)(F)F	2179119346	MFXLZOCARUOMGS-UHFFFAOYSA-N	319.097	0.572	70	10	DCIE	
O=C(c1cc(O)c(O)c(O)c1)N1CC(CS(=O)(=O)F)C1	2199691797	FCEGMNMAPVJINX-UHFFFAOYSA-N	305.283	0.175	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)[C@H]2CC2(F)F)C1	2078998807	YDVHCZINPRDLKP-ZETCQYMHSA-N	307.315	0.345	70	10	DCIE	
CN1C(=O)C[C@H](Oc2ccc(S(=O)(=O)Cl)cc2)C1=O	2096083726	HMPRTDKAPDEINY-VIFPVBQESA-N	303.723	0.750	70	10	DCIE	
COC[C@@]1(C)C[C@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2284673417	ZPKRJAJLTXXDOO-WRWORJQWSA-N	322.770	0.549	70	10	DCIE	
Cc1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c(O)c1	2287073912	ZLJOBZZHTAMZIZ-VIFPVBQESA-N	302.327	0.719	70	10	DCIE	
CCCc1ocnc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287072268	LMOGQJQKDILNDK-MRVPVSSYSA-N	305.331	0.646	70	10	DCIE	
O=C(Cc1ccc(Cl)cc1)NC1CN(S(=O)(=O)F)C1	2268797720	PUOADQHQXMBRJP-UHFFFAOYSA-N	306.746	0.897	70	10	DCIE	
NS(=O)(=O)N1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	218193327	QBTQINRETYXWLJ-TUAOUCFPSA-N	301.412	0.160	70	10	DCIE	
CCNC(=O)[C@H](C)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215910478	ILLGZZWYSGPJLP-YFKPBYRVSA-N	310.719	0.416	70	10	DCIE	
COC[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1CCO	217296580	KLABUUWKSKYHBX-SNVBAGLBSA-N	303.380	0.543	70	10	DCIE	
CN(CC#N)CCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1502375915	UVRNGFDUOUTVON-UHFFFAOYSA-N	316.358	0.590	70	10	DCIE	
CO[C@@]1(CNC(=O)c2sc3nnccc3c2N)CCOC1	161498206	AKOGRYAWIAWMLW-CYBMUJFWSA-N	308.363	0.809	70	10	DCIE	
CNc1nc(Cl)nc(N2CCOC[C@H]2C(=O)NC2CC2)n1	160569554	KEPVGZUXPDCTAI-QMMMGPOBSA-N	312.761	0.051	70	10	DCIE	
O=c1cc[nH]cc1S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	160877494	SYFHAAOWIAARMS-BXUZGUMPSA-N	312.391	0.691	70	10	DCIE	
Cc1ccc(C=CC(=O)NCC2CN(S(=O)(=O)F)C2)o1	1974054225	AGSSCCWJBRSAFW-UHFFFAOYSA-N	302.327	0.864	70	10	DCIE	
Cc1cccnc1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974401408	BIUTXSYUDZBBPX-UHFFFAOYSA-N	301.343	0.799	70	10	DCIE	
C[C@@H]1C[C@H](CC(=O)NC2CCN(S(=O)(=O)F)CC2)CO1	2169027546	YCRWIWIYFGKUQH-NXEZZACHSA-N	308.375	0.596	70	10	DCIE	
O=S1(=O)CC(S(=O)(=O)N2CCC([B-](F)(F)F)CC2)C1	2223261953	MWZYGVNRHXAKLL-UHFFFAOYSA-N	320.143	0.427	70	10	DCIE	
CS(=O)(=O)N1CCC(OS(=O)(=O)C(F)(F)F)CC1	2241692089	IGBGIJJCZPTHAA-UHFFFAOYSA-N	311.303	0.277	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1Cc2ccccc2O1	2284150257	IYJMKRHYMDYTSE-LLVKDONJSA-N	300.311	0.005	70	10	DCIE	
CCCCCN(C)CCC(=O)NC1CN(S(=O)(=O)F)C1	2284152073	VKHAGIZWNYKNNO-UHFFFAOYSA-N	309.407	0.513	70	10	DCIE	
COCCn1c([C@]2(C)CCCO2)nnc1S(=O)(=O)Cl	133333773	PAILQTHPORUQLM-JTQLQIEISA-N	309.775	0.878	70	10	DCIE	
Cn1cc(CCn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)nn1	2164428931	UIFMKCZXGJQEIE-UHFFFAOYSA-N	320.718	0.090	70	10	DCIE	
CNC(=O)CS(=O)(=O)Cc1ccc(S(=O)(=O)F)cc1	857222381	OWQDUABRGWTKHH-UHFFFAOYSA-N	309.340	0.006	70	10	DCIE	
N#C[C@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	694024554	YCAMDDZXGHGADL-SECBINFHSA-N	318.351	0.879	70	10	DCIE	
O=C1CC[C@@H]1CS(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2121678236	LWGQEKVHTCAAOD-MRVPVSSYSA-N	313.372	0.059	70	10	DCIE	
CC(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC#N	1667493985	QKWGDXYTOTWNGY-LLVKDONJSA-N	316.358	0.540	70	10	DCIE	
CCc1nc(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n[nH]1	160264523	DRUXOCPWRWDHHE-VIFPVBQESA-N	309.395	0.865	70	10	DCIE	
C[C@H](NC(=O)c1[nH]nc2ccccc12)C(=O)NC1(CO)CC1	160355156	PUONUTJDFQKBRZ-VIFPVBQESA-N	302.334	0.322	70	10	DCIE	
CO[C@]1(CNC(=O)[C@@H](C(N)=S)c2ccccc2)CCOC1	160495104	ANFKMDQSIIBOAK-DOMZBBRYSA-N	308.403	0.978	70	10	DCIE	
Cn1cc(CN2CCCN(C(=O)Nc3cccnn3)CC2)cn1	160521213	FYYMONXQWFXUAH-UHFFFAOYSA-N	315.381	0.950	70	10	DCIE	
NC(=S)c1ccc(N2CCOC[C@@H]2C(=O)NC2CC2)cn1	159809797	LILKDGSDKWYWSS-GFCCVEGCSA-N	306.391	0.200	70	10	DCIE	
Cc1cc(F)c(S(=O)(=O)NCC(=O)NC(C)(C)C)cc1N	159843738	YFOUELBKGAMLMM-UHFFFAOYSA-N	317.386	0.909	70	10	DCIE	
CC1(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)COC1	864243802	WWRRXUHSGGGAQX-UHFFFAOYSA-N	309.340	0.412	70	10	DCIE	
O=C(NC[C@]12C[C@H](CO1)C2)c1cc(S(=O)(=O)Cl)c[nH]1	1879920179	RIDOEVFLKZWPNX-DGFRNANFSA-N	304.755	0.851	70	10	DCIE	
COCCn1c([C@H]2C[C@H]2Cl)nnc1S(=O)(=O)Cl	2020455773	DWDMDOTTXBYCAH-NTSWFWBYSA-N	300.167	0.947	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1[C@@H]2[C@@H]1CCC2(F)F	2170856973	NYEXBVSSFIHZFF-HLTSFMKQSA-N	312.313	0.540	70	10	DCIE	
Cc1[nH]nc(C(=O)N2C[C@H]3COC[C@H]3C2)c1S(=O)(=O)Cl	718177753	FGQHWDDKESQKIV-OCAPTIKFSA-N	319.770	0.364	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1CC(N(C)C2COC2)C1	2173110807	AKIPVJOWBUYLIJ-UHFFFAOYSA-N	300.113	0.964	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@@H]1CCCN(C)C1=O	2182342196	DOUUBIZZDWLYCS-MRVPVSSYSA-N	321.786	0.750	70	10	DCIE	
CC(C)n1c([C@H]2COCCN2C)nnc1S(=O)(=O)Cl	2099565602	GTGFYCMDWRZINE-MRVPVSSYSA-N	308.791	0.790	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cc(Cl)ncn1	2271497780	LACPWSGRXKERFP-LURJTMIESA-N	308.722	0.148	70	10	DCIE	
COCc1cccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)n1	218203377	PYQBHDASOZZSIY-FAAHXZRKSA-N	305.378	0.675	70	10	DCIE	
CCc1nc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c(C)o1	2287077232	CVSUVLUMZYWDLK-MRVPVSSYSA-N	305.331	0.564	70	10	DCIE	
Cc1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c(O)c1	2287073911	ZLJOBZZHTAMZIZ-SECBINFHSA-N	302.327	0.719	70	10	DCIE	
C[C@](O)(CO)CNC(=O)/C=C\c1c(Cl)nc2sccn12	218147896	ZUORTLVBHQUQIU-ZZKXABKFSA-N	315.782	0.922	70	10	DCIE	
O=C(NC1COC1)[C@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1	2165349270	XZBXEGRQSPQACL-LLVKDONJSA-N	317.750	0.433	70	10	DCIE	
O=C(CCOCC(F)F)N1CC(CCS(=O)(=O)F)C1	2134974140	ARTBRKNEIGQNIY-UHFFFAOYSA-N	303.302	0.806	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cc(N)c(C)cc2F)CCOC1	159903958	NAQKUNCDCSTJSY-ZDUSSCGKSA-N	318.370	0.800	70	10	DCIE	
Cc1ccc([C@@]2(C)NC(=O)N(CCS(=O)(=O)F)C2=O)o1	883953568	AHVZXILJTHTBCT-LLVKDONJSA-N	304.299	0.654	70	10	DCIE	
O=C(c1ccc2c(c1)OCO2)N1CC[C@H](S(=O)(=O)F)C1	1968234909	GWLFLLQCQJIADU-VIFPVBQESA-N	301.295	0.929	70	10	DCIE	
Cn1cccc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)c1=O	1968228350	XEFAACQVRGMYQQ-VIFPVBQESA-N	302.327	0.289	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1(C(F)(F)F)CCC1	1974059564	NIYXRWCYKNKKQD-UHFFFAOYSA-N	318.292	0.981	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1C[C@H]2CC[C@H]1O2	1974394693	NPNNMNQKLAOXIF-OUAUKWLOSA-N	306.359	0.349	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)c1cc(N)cc(F)c1	159848415	SPNJKFKLYBPOFX-UHFFFAOYSA-N	303.359	0.601	70	10	DCIE	
COCC(COC)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	385228727	SVBCMBGORXTCOR-UHFFFAOYSA-N	313.719	0.553	70	10	DCIE	
CN([C@@H]1CCN(c2ccc([B-](F)(F)F)cn2)C1)S(C)(=O)=O	2172785685	VWSMWYDTBIVEEC-SNVBAGLBSA-N	322.141	0.606	70	10	DCIE	
CO[C@@H]1COC[C@H]1NC(=O)c1ccc(S(=O)(=O)Cl)cc1	2177284378	RDWVCRRXKRVMIG-GHMZBOCLSA-N	319.766	0.758	70	10	DCIE	
COCC1(NC(=O)c2cccc(S(=O)(=O)Cl)c2)COC1	2189272457	KITZPCJWJQPVSQ-UHFFFAOYSA-N	319.766	0.759	70	10	DCIE	
O=C(N1CCC[C@@H](S(=O)(=O)F)C1)C(F)(F)[C@H]1CCOC1	2185237630	VBLQGSDVZQALLP-DTWKUNHWSA-N	315.313	0.949	70	10	DCIE	
N#Cc1ccccc1CS(=O)(=O)N1CC(S(=O)(=O)F)C1	2199695299	UDWCYTLMQIALAH-UHFFFAOYSA-N	318.351	0.372	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NCCC1COC1	2111200089	ZCIHOETWLFTIOM-UHFFFAOYSA-N	306.771	0.719	70	10	DCIE	
Cc1nc(Cl)ccc1C(=O)NC1CN(S(=O)(=O)F)C1	2268807656	QCUPVDYZJMJKIZ-UHFFFAOYSA-N	307.734	0.672	70	10	DCIE	
Cc1ccc(F)c(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)n1	2287070162	SSDBXGYWMSEIBE-QMMMGPOBSA-N	305.306	0.548	70	10	DCIE	
O=C(c1snnc1C1CC1)N1CC(CS(=O)(=O)F)C1	2336014410	HJTOLVBGTNNFJQ-UHFFFAOYSA-N	305.356	0.787	70	10	DCIE	
C[C@@H](Oc1ccc(F)cc1S(=O)(=O)Cl)C(=O)NC(N)=O	215675729	YDKSKMJGLKSTSQ-RXMQYKEDSA-N	324.717	0.715	70	10	DCIE	
Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CC(=O)NC(=O)[C@@H]1C	217840013	BTLKVJBGKSRJJZ-LGYSABEFSA-N	310.741	0.269	70	10	DCIE	
C=C(Cn1ncc(N2CCN(C)CC2)cc1=O)[B-](F)(F)F	379763208	YBBBZMZUJBJRMX-UHFFFAOYSA-N	301.101	0.938	70	10	DCIE	
Cc1[nH]nc(C(=O)NCC[C@H]2CCOC2)c1S(=O)(=O)Cl	235847278	UBAFPVSRYCVAAW-QMMMGPOBSA-N	321.786	0.802	70	10	DCIE	
CCCn1nnnc1Cn1nc(C)c(S(=O)(=O)Cl)c1C	698618555	AKIPFDFXVFAPGJ-UHFFFAOYSA-N	318.790	0.872	70	10	DCIE	
O=S(=O)(F)C[C@H]1OCCC12C[C@@H]1CC[C@H](C2)S1(=O)=O	757210874	LLFUOCWVKSBKGK-GZBOUJLJSA-N	312.384	0.801	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)C[C@H]2CC[C@@H](F)C2)C1	2134975028	NCCGCJWHQWLCGX-WCBMZHEXSA-N	317.379	0.686	70	10	DCIE	
CC(=O)Nc1ccc(C(=O)N2CC(S(=O)(=O)F)C2)s1	2134991521	ZOLLRILOVNOPLB-UHFFFAOYSA-N	306.340	0.830	70	10	DCIE	
CC(C)Cn1c(C[C@@H]2COCCO2)nnc1S(=O)(=O)Cl	1916698437	HSUCBJALRMJDBN-SECBINFHSA-N	323.802	0.820	70	10	DCIE	
Cc1cccc2[nH]c(CNC(=O)CN3CCN(C)CC3)nc12	160596540	GUJWQARZAFYTMG-UHFFFAOYSA-N	301.394	0.735	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1cc(C)ccc1C(N)=S	159790410	PYMRGPQWWPNZBX-CYBMUJFWSA-N	307.419	0.971	70	10	DCIE	
CO[C@@H]1CC[C@H](NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	234942944	SCBPEVAFIOXHGG-JGVFFNPUSA-N	321.786	0.943	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1CCCCCO1	2152617072	CWGVMTLLKOHKRT-MRVPVSSYSA-N	322.770	0.836	70	10	DCIE	
Cc1[nH]nc(C(=O)NCCCOC2CC2)c1S(=O)(=O)Cl	717361057	HNBOBNKNDMRTMV-UHFFFAOYSA-N	321.786	0.945	70	10	DCIE	
O=S1(=O)CCC[C@H]2CN(c3ncncc3[B-](F)(F)F)C[C@@H]21	2172785559	LQRBEECVLAVOIO-WPRPVWTQSA-N	320.125	0.544	70	10	DCIE	
Cc1ncnc(N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1[B-](F)(F)F	2172758223	MYHDYSSYFIAYEC-DTWKUNHWSA-N	322.141	0.851	70	10	DCIE	
C[C@H]1OCCO[C@@H]1C(=O)Nc1ccc(S(=O)(=O)F)nc1	2166523992	HGBOCOGYNKQSIH-XCBNKYQSSA-N	304.299	0.482	70	10	DCIE	
CN1CCOC[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)nc1	2166534312	PEVHSXZANWWBMO-VIFPVBQESA-N	303.315	0.009	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1CO[C@H]2C[C@@H]1C2	2183066874	MCOWOWOGFHUJRX-KHQFGBGNSA-N	318.782	0.860	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cscc2F)[nH]1	2119229811	XTMJNGLLACHULY-UHFFFAOYSA-N	307.303	0.953	70	10	DCIE	
CCn1c([C@@]23COC[C@@H]2C3(F)F)nnc1S(=O)(=O)Cl	2105598529	NGOCILVYLOZHEF-YLWLKBPMSA-N	313.713	0.759	70	10	DCIE	
C#CCC1CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	2202431003	WGGJGMLOWBHHIR-UHFFFAOYSA-N	317.363	0.989	70	10	DCIE	
CS(=O)(=O)N1CCC(Oc2ccc([B-](F)(F)F)cn2)CC1	2285598081	BQGYPEHRPNQAOI-UHFFFAOYSA-N	323.125	0.939	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@]12CCCOC2	2287071683	JIGZBFXYFDBCMX-FOGDFJRCSA-N	306.359	0.208	70	10	DCIE	
Cn1ccc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)n1	212771891	ZQKRXDPVVGPULL-UHFFFAOYSA-N	305.703	0.501	70	10	DCIE	
CCN(C)C(=O)Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215915520	YTNYPXFDBXAKRC-UHFFFAOYSA-N	310.719	0.197	70	10	DCIE	
Cc1cnn(CC(=O)Nc2ncc(S(=O)(=O)F)s2)c1	1623769184	VXJZTMLYBXKLPR-UHFFFAOYSA-N	304.328	0.945	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@H](C)c2nncn2C)cc1N	159613659	HBNBWMXOYCQSNP-MRVPVSSYSA-N	310.383	0.479	70	10	DCIE	
NC(=O)c1ccc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)cc1	2144733191	NJKNCCRNCZGRFA-JTQLQIEISA-N	300.311	0.299	70	10	DCIE	
CN(c1cnn(CCO)c(=O)c1Cl)[C@H]1CCC[C@@H]1CN	159669944	SUQGMHTXMHSIDM-ZJUUUORDSA-N	300.790	0.453	70	10	DCIE	
C[C@H](CO)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1	160401130	BTZHVNNZRIRFLO-BDAKNGLRSA-N	304.368	0.277	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)C[C@@H]1CCS(=O)(=O)C1	2031505745	OHTWVTNSPLQWOO-JTQLQIEISA-N	317.860	0.702	70	10	DCIE	
C[C@H]1CC[C@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)OC1	2172992460	HFBAPRGTKUWRON-JGVFFNPUSA-N	322.770	0.692	70	10	DCIE	
Cc1cc(C(=O)O)cc(S(=O)(=O)F)c1O[C@H](C)C(N)=O	2191432391	OHEAPYCGYUINMS-ZCFIWIBFSA-N	305.283	0.604	70	10	DCIE	
O=S1(=O)CC(S(=O)(=O)N2CCC[C@H]([B-](F)(F)F)C2)C1	2070263077	CWMJSSFVNDVKNN-ZETCQYMHSA-N	320.143	0.427	70	10	DCIE	
O=C(N1CC(CCS(=O)(=O)F)C1)C12CCN(CC1)CC2	2199698979	TXZIEUOUPIAGHF-UHFFFAOYSA-N	304.387	0.620	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CCCOC2)c1S(=O)(=O)Cl	115020794	ICVREJBQLCFDBD-SSDOTTSWSA-N	307.759	0.554	70	10	DCIE	
COCCn1c(C[C@@H]2CCCO2)nnc1S(=O)(=O)Cl	133329123	ZPOJAKCOIVWQMI-QMMMGPOBSA-N	309.775	0.574	70	10	DCIE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1N(S(=O)(=O)F)C2)C(F)(F)F	1954656903	SSSKXGZGSCOQNX-FSDSQADBSA-N	304.265	0.732	70	10	DCIE	
O=C(NC[C@@]12COC[C@@H]1C2)c1cc(S(=O)(=O)Cl)c[nH]1	689331635	WBEUIOVACUUKHC-CPCISQLKSA-N	304.755	0.709	70	10	DCIE	
O=C(NC1[C@H]2COC[C@H]12)c1cccc(S(=O)(=O)Cl)c1	2118024582	BMFHHQUCERECQG-UWVGGRQHSA-N	301.751	0.989	70	10	DCIE	
COC(=O)[C@@H](OS(=O)(=O)C(F)(F)F)[C@@H]1COC(C)(C)O1	1615863490	QOTALJRVDSIPAG-WDSKDSINSA-N	322.257	0.546	70	10	DCIE	
Cc1cc(C[C@@H](C)NC(=O)CNC(=O)c2cccnc2)n[nH]1	161189561	FAHUKUIUYPFLLZ-SNVBAGLBSA-N	301.350	0.590	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)[C@H](CCC)C(N)=S	159779916	FHXPOJANBKBYSZ-GHMZBOCLSA-N	315.439	0.442	70	10	DCIE	
CC(C)(C)NC(=O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1	159398026	LPDAPAQZOFSGCD-ZDUSSCGKSA-N	310.442	0.315	70	10	DCIE	
Cc1nccc(C(=O)NC2CCN(S(=O)(=O)F)CC2)n1	1974402517	OGDLHQFEYPSNPZ-UHFFFAOYSA-N	302.331	0.194	70	10	DCIE	
CCn1cc(S(=O)(=O)NC[C@@H](C)N2CCCC2)c(N)n1	160758895	KLSDTZWYEBBBAV-SNVBAGLBSA-N	301.416	0.248	70	10	DCIE	
CCc1[nH]nc(C(=O)N2CCO[C@@H]3C[C@@H]32)c1S(=O)(=O)Cl	2171920838	LBLXABUMHOTLLC-JGVFFNPUSA-N	319.770	0.513	70	10	DCIE	
CN(C1CCC1)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2089199639	GRDVAQKLPHBIQL-SNVBAGLBSA-N	314.404	0.479	70	10	DCIE	
COCCn1c([C@@H]2CC[C@@H]2OC)nnc1S(=O)(=O)Cl	2227855995	QVUORZRPMDAZMO-SFYZADRCSA-N	309.775	0.744	70	10	DCIE	
COc1ccc([C@@H](O)CNS(=O)(=O)C2CC2)cc1OC	217360016	JQNBFOLZJOBVLA-NSHDSACASA-N	301.364	0.819	70	10	DCIE	
COc1ccccc1OCNC(=O)N1CCN(CCO)CC1	217308856	LOBHALOJYNIRSE-UHFFFAOYSA-N	309.366	0.351	70	10	DCIE	
CO[C@@H]1CN(c2ncncc2[B-](F)(F)F)[C@@H](CF)[C@H]1OC	2366549811	JPIBUIMJIOQDJG-IVZWLZJFSA-N	308.064	0.719	70	10	DCIE	
CN[C@H](c1c(OC)cnn1CCN(C)C)[C@@H]1CSCCO1	161331286	NEIQCUNRJMFFRU-STQMWFEESA-N	314.455	0.846	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)NCCc2ccccc2O)C[C@@H](C)O1	159656632	CEOBYKJMUHOCQG-VXGBXAGGSA-N	314.407	0.878	70	10	DCIE	
O=C(c1ncc(Br)cn1)N1CC(S(=O)(=O)F)C1	1968216177	UATZOERDJSEXIX-UHFFFAOYSA-N	324.131	0.363	70	10	DCIE	
Cc1cc(C)nc(C(=O)NCC2CN(S(=O)(=O)F)C2)c1	1974054969	KYYUECYDOJQEMP-UHFFFAOYSA-N	301.343	0.574	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cc(F)ccc1F	1974059500	MCJDKBZXVFQUSJ-UHFFFAOYSA-N	308.281	0.841	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]32)c1	2171916346	DEIJTTVWAIPPMA-WDEREUQCSA-N	321.351	0.507	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1ccnc(Cl)n1	2169026210	LEJCALGFULSIGM-UHFFFAOYSA-N	322.749	0.539	70	10	DCIE	
Cc1ccc(C(=O)NCC(=O)N2CC(S(=O)(=O)F)C2)s1	2199685387	CKUZFJYSIRZIMB-UHFFFAOYSA-N	320.367	0.296	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1C[C@@]12CCOC2	2198327732	HNSRGRABWKOFPF-WRWORJQWSA-N	320.754	0.303	70	10	DCIE	
O=C1C[C@@H](C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)NC(=O)N1	2194129441	KLTLMOSEVYECCG-BUYFANAVSA-N	304.057	0.425	70	10	DCIE	
CN1CCN(CCOc2ccc(S(=O)(=O)F)cc2)CC1	2191425604	GMSUPKOHSQNFIO-UHFFFAOYSA-N	302.371	0.971	70	10	DCIE	
CCc1[nH]nc(C(=O)NCC2COC2)c1S(=O)(=O)Cl	2097861160	LQGAYRXSZHUVDS-UHFFFAOYSA-N	307.759	0.276	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1CCCOCC1	2206981616	WCMKECLXTVMKNR-QMMMGPOBSA-N	322.770	0.693	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	2287078560	IEZDKVQBPOEVCW-MAUMQABQSA-N	312.313	0.683	70	10	DCIE	
C[C@]1(C(F)(F)F)C[C@H]1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287080538	SEWRYDKYRBVODA-FJXKBIBVSA-N	318.292	0.980	70	10	DCIE	
CS(=O)(=O)[C@H]1C[C@H](COC(=O)NS(=O)(=O)Cl)C1	2307809020	OOOAESRJWCLPPM-IZLXSQMJSA-N	305.761	0.019	70	10	DCIE	
O=C(OCC1[C@H]2COC[C@H]12)c1cc(S(=O)(=O)Cl)c[nH]1	2341842044	RQNKCAJUPKDDIP-YUMQZZPRSA-N	305.739	0.991	70	10	DCIE	
COC(=O)CCNC(=O)NCCN1C(=O)c2ccccc2C1=O	217282389	OZYVCLHRJDEXDT-UHFFFAOYSA-N	319.317	0.145	70	10	DCIE	
O=C(NC[C@H]1CCCN(S(=O)(=O)Cl)C1)C(F)(F)F	1953572999	GGDSNLZVAWJBBT-ZCFIWIBFSA-N	308.709	0.861	70	10	DCIE	
CO[C@H]1C[C@H]1CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2131636921	AYWQVLJYOQHTGZ-BQBZGAKWSA-N	307.759	0.410	70	10	DCIE	
C[C@H]1COC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	699814805	UALIHBYSNLWNAS-IONNQARKSA-N	306.771	0.717	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2COC[C@H]2C)c1S(=O)(=O)Cl	699820336	HOPDFEZAGQCCGV-HTRCEHHLSA-N	321.786	0.664	70	10	DCIE	
O=C(N[C@H](CO)c1ccccn1)c1cc(S(=O)(=O)F)c[nH]1	1624998870	RTQGVZLITMHCPV-LLVKDONJSA-N	313.310	0.531	70	10	DCIE	
COc1cc(C)ncc1C(=O)N1CC[C@H](S(=O)(=O)F)C1	1927201720	DUUNUTJDKJQYMC-VIFPVBQESA-N	302.327	0.912	70	10	DCIE	
COc1cc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)ccc1F	160358211	YMCNNLYULLBVLG-SNVBAGLBSA-N	316.354	0.550	70	10	DCIE	
CCCN(c1cnn(CCN(C)C)c(=O)c1Cl)C1CNC1	159688995	NDGDLXMQHADHLI-UHFFFAOYSA-N	313.833	0.647	70	10	DCIE	
CCc1ccc(N)cc1S(=O)(=O)NC[C@]1(OC)CCOC1	159897810	DLGOVDWGONNDQQ-CQSZACIVSA-N	314.407	0.915	70	10	DCIE	
Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)F)CC1	1973576089	PDFMGIMMBJXOGD-UHFFFAOYSA-N	322.383	0.516	70	10	DCIE	
CS[C@H]1CN(CCCS(=O)(=O)Cl)C[C@H]1N(C)C	2004060098	UVTROICSRANAEJ-ZJUUUORDSA-N	300.877	0.923	70	10	DCIE	
CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)CN1CCS(=O)(=O)CC1	161041006	STOBUTXTDFJMEI-YRGRVCCFSA-N	302.440	0.249	70	10	DCIE	
CCN1C[C@@H](C(=O)N2CC(CCS(=O)(=O)F)C2)CC1=O	2199694707	BSYIPUPFDVOVEM-JTQLQIEISA-N	306.359	0.003	70	10	DCIE	
O=C(CSc1ccccc1)NC1CN(S(=O)(=O)F)C1	2268795569	JFEDCPGJZABOOW-UHFFFAOYSA-N	304.368	0.793	70	10	DCIE	
COCCn1cc(S(=O)(=O)Cl)cc1C(=O)NC1COC1	2165338498	FCZQLJLOCKXAFO-UHFFFAOYSA-N	322.770	0.191	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cc(O)ccc1F	2164437800	OQRNIKKIKOZVEY-UHFFFAOYSA-N	306.290	0.407	70	10	DCIE	
CCCC(=O)N[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1579981900	KHJATCRXUHMRTG-QMMMGPOBSA-N	319.358	0.708	70	10	DCIE	
CCOC(OCC)[C@@H](N)c1c(OC)cnn1CCN(C)C	161148391	QVSAYPNRDBOKQY-LBPRGKRZSA-N	300.403	0.852	70	10	DCIE	
CCNS(=O)(=O)c1ccc(NCCNC(=O)C2CC2)cc1	160816593	JNSAIINQEVMRJV-UHFFFAOYSA-N	311.407	0.923	70	10	DCIE	
CCOc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)cc1	2284150765	LZZRWMNKYSGKNS-UHFFFAOYSA-N	302.327	0.714	70	10	DCIE	
CC(C)N1C[C@@H](C(=O)NCCCNC(=O)C(F)(F)F)CC1=O	216850105	GKDIQYOJIBRDIY-VIFPVBQESA-N	323.315	0.428	70	10	DCIE	
COc1ccccc1/C=C/NC(=O)N1CCN(CCN)CC1	217718252	KEFMEHJXEUNWFZ-SOFGYWHQSA-N	304.394	0.952	70	10	DCIE	
COc1cccc(CC(=O)NC[C@H](O)Cn2ccccc2=O)c1	218428881	OWBJZJAUSDHUDF-AWEZNQCLSA-N	316.357	0.577	70	10	DCIE	
CO[C@@H]1CC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	724418624	GTZIBBDJABCGQO-WCBMZHEXSA-N	306.771	0.860	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)[C@H]1CCCS(=O)(=O)CC1	694192984	GYFNTDZURNGYKQ-JTQLQIEISA-N	317.860	0.844	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1CC(NS(C)(=O)=O)C1	2116140610	OUXBIKCNWJTTOA-UHFFFAOYSA-N	308.114	0.182	70	10	DCIE	
C[C@@H]1CCS[C@@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923174331	RNBOIGVFRGUPCV-SVRRBLITSA-N	307.372	0.580	70	10	DCIE	
C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N(C)CCF	1570736531	ZZZUGONKNGUGAY-MRVPVSSYSA-N	309.338	0.693	70	10	DCIE	
Cn1cc(Cl)c(C(=O)N2CCC(S(=O)(=O)F)CC2)n1	1968218796	YVVYGMQKSGNQSO-UHFFFAOYSA-N	309.750	0.977	70	10	DCIE	
O=C(CCN1CCSC1=O)N1CC[C@H](S(=O)(=O)F)C1	1968234790	FUZPDBJEUYPMIK-QMMMGPOBSA-N	310.372	0.446	70	10	DCIE	
CC(C)c1ocnc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001443	TZKKOFUAJXBGRX-UHFFFAOYSA-N	305.331	0.770	70	10	DCIE	
O=C(Cc1ccc(O)cc1)N1CCN(S(=O)(=O)F)CC1	1974001628	XPBOPNVYBHPTIA-UHFFFAOYSA-N	302.327	0.293	70	10	DCIE	
COCCn1ncc(N(C)[C@H](CN)C2CC2)c(Cl)c1=O	160050496	JHOJJDQTMGUJIO-SNVBAGLBSA-N	300.790	0.717	70	10	DCIE	
CC1(C)CC[C@H](Cn2cc(S(=O)(=O)Cl)c(=O)[nH]c2=O)O1	160758464	GPAJMAWEEDRJDB-SSDOTTSWSA-N	322.770	0.422	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@@H]1[C@@H]2COC[C@@H]21	2188905234	RYEHZQFKLWKADE-RNLVFQAGSA-N	321.742	0.920	70	10	DCIE	
C[C@@]1(C(F)(F)F)C[C@@H]1C(=O)NC1CN(S(=O)(=O)F)C1	2268805780	NPWTWSYFMFMJHB-HTRCEHHLSA-N	304.265	0.590	70	10	DCIE	
CC(C)(CC(=O)NC1CN(S(=O)(=O)F)C1)C(F)(F)F	2268808801	ZRRUBRBBUJJBRH-UHFFFAOYSA-N	306.281	0.980	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2C=C[C@H]1CC2	2287076162	HFLAUEHYSUAYMT-FIQHERPVSA-N	302.371	0.994	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1[C@@H]2CCCO[C@@H]21	2355583531	OWKDHBHQKHYWBL-LSJOCFKGSA-N	318.782	0.860	70	10	DCIE	
O=c1ccccn1C[C@@H](O)CNS(=O)(=O)c1cccs1	218464203	GCINFMTZGKZEAQ-JTQLQIEISA-N	314.388	0.249	70	10	DCIE	
C[C@]12C[C@H](C1)[C@@H](C(=O)N1CC(CCS(=O)(=O)F)C1)CO2	2362913128	QQVGZVPVYLGNJJ-GMXVVIOVSA-N	305.371	0.949	70	10	DCIE	
COc1ncccc1C(=O)NC[C@@H](O)Cn1ccccc1=O	218399817	SRRBLCPFKCHIKK-LLVKDONJSA-N	303.318	0.043	70	10	DCIE	
COCc1ccc(C(=O)NC2COC2)cc1S(=O)(=O)Cl	2165343274	NLRLPIJCHJHOAR-UHFFFAOYSA-N	319.766	0.889	70	10	DCIE	
O=C(N[C@H](CO)C(F)(F)F)c1cc(S(=O)(=O)F)c[nH]1	1158262279	VIMFLUWENKVKFI-ZCFIWIBFSA-N	304.221	0.326	70	10	DCIE	
C#CCCN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1567103195	STFWZBSVBFCQCW-JTQLQIEISA-N	313.354	0.500	70	10	DCIE	
CN(C)C[C@](C)(O)CNC(=O)c1cc(S(C)(=O)=O)cs1	160101537	VZXIOAMYIRNVFY-GFCCVEGCSA-N	320.436	0.194	70	10	DCIE	
CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H](C)CO)cc1	160363628	WJUWIJPHPVXOMN-WDEREUQCSA-N	314.407	0.732	70	10	DCIE	
CCCNc1ncc(Cl)c(N2CCOC[C@H]2C(=O)NC)n1	160544875	ZDMLUVVYHNFZEH-JTQLQIEISA-N	313.789	0.903	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)[C@H](CC)C(N)=S	159778126	PNSDHGRTBYZKKN-ZJUUUORDSA-N	301.412	0.052	70	10	DCIE	
O=S(=O)(Cl)c1cn(C[C@@H]2CCCCS2(=O)=O)cn1	710606948	FINBNIXBIZSYQA-QMMMGPOBSA-N	312.800	0.778	70	10	DCIE	
CCCS(=O)(=O)NC1CN(c2ncccc2[B-](F)(F)F)C1	2172774358	NNQKTYOXFGBPDV-UHFFFAOYSA-N	322.141	0.654	70	10	DCIE	
CC(C)c1conc1C(=O)N1CCN(S(=O)(=O)F)CC1	2195403630	POXJFQFUIRUOJF-UHFFFAOYSA-N	305.331	0.770	70	10	DCIE	
CN(CCN(C)S(C)(=O)=O)c1nc([B-](F)(F)F)cs1	2052595997	AZAVDLFQIIVQRX-UHFFFAOYSA-N	316.159	0.525	70	10	DCIE	
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CC[C@@H](S(=O)(=O)F)C1	2200091267	OKHUOKFXUVIMLA-GRYCIOLGSA-N	305.371	0.949	70	10	DCIE	
CC1CC(CS(=O)(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2271501127	PEPHEBAPABKXBX-UDNWOFFPSA-N	314.404	0.241	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCCSCC1	2271502398	JDMZCGOIJZRLLR-ZJUUUORDSA-N	310.416	0.925	70	10	DCIE	
CN(C[C@H]1C[C@H](S(C)(=O)=O)C1)c1ncncc1[B-](F)(F)F	2285356097	FJBXFUFPBSMQPZ-KYZUINATSA-N	322.141	0.790	70	10	DCIE	
CO[C@H]1CN(c2ncnc(C)c2[B-](F)(F)F)[C@@H]2COC[C@@H]21	2355241091	IRZBMBFRLVESPH-AEJSXWLSSA-N	302.085	0.689	70	10	DCIE	
CC[C@H](C(N)=O)n1nc([N+](=O)[O-])c(S(=O)(=O)Cl)c1C	306022343	UKRANZIIGYZVRJ-RXMQYKEDSA-N	310.719	0.464	70	10	DCIE	
Cn1cc(C(=O)Nc2ncc(S(=O)(=O)F)s2)ccc1=O	1543636855	ICCMBHYHGOBVCJ-UHFFFAOYSA-N	317.323	0.752	70	10	DCIE	
C[C@@H]1OCC[C@@H]1N(C)C(=O)c1cc(F)ccc1S(N)(=O)=O	160507817	BFZXKSHHLCPTIC-KWQFWETISA-N	316.354	0.723	70	10	DCIE	
CNc1ccccc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974057828	ARPYNHPCLNCFBI-UHFFFAOYSA-N	301.343	0.604	70	10	DCIE	
Nc1cccc(Cl)c1C(=O)N1CCN(S(=O)(=O)F)CC1	1974014609	KOLFARVXYJXNLP-UHFFFAOYSA-N	321.761	0.894	70	10	DCIE	
C[C@@H]1OCC[C@@H]1N(C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1	160515525	OZGNGRJZSYHNBO-XVKPBYJWSA-N	306.771	0.826	70	10	DCIE	
CO[C@H]1COCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	380655377	RMSARFODKGPDHH-WPRPVWTQSA-N	322.770	0.476	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nncc2c1CCCC2	2224600324	AULRTGUKBLRACT-UHFFFAOYSA-N	324.811	0.698	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CCC[C@@H]1C(F)(F)F	2284150488	KACWXISGJJIFMN-YUMQZZPRSA-N	318.292	0.980	70	10	DCIE	
CC(C)N1CCO[C@H](Cn2cnc(S(=O)(=O)Cl)c2)C1	215844426	SLGRXGQMHNHYFQ-SNVBAGLBSA-N	307.803	0.920	70	10	DCIE	
CNC(=O)NC(=O)[C@@H](C)n1nc(C)c(S(=O)(=O)Cl)c1C	215858697	LMLRFEGLEPRLAN-SSDOTTSWSA-N	322.774	0.444	70	10	DCIE	
COC[C@@H](C)NS(=O)(=O)c1c(C)nn(CCCO)c1C	217296629	NEAGUBSQADNVKY-SECBINFHSA-N	305.400	0.196	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)C2CC(C(F)F)C2)C1	1912678770	ZLMZUUACNJXUMH-ZUEIMRROSA-N	321.342	0.734	70	10	DCIE	
COCCNCCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1483492172	JCWAQEXQRKAGHM-UHFFFAOYSA-N	321.374	0.371	70	10	DCIE	
CCn1c(C23COC(CF)(C2)C3)nnc1S(=O)(=O)Cl	2137853483	LJDVADRMAVOEMU-UHFFFAOYSA-N	309.750	0.996	70	10	DCIE	
COc1ccccc1N1CC[C@@H](NC(=O)CN(C)C(C)=O)C1	161090065	ZOUUGGCSBSSIQM-CYBMUJFWSA-N	305.378	0.868	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1Cc1nnsc1NCC	160386776	MGIGQQRIGKRDRX-LLVKDONJSA-N	313.427	0.697	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccccc1F	159521799	XXICMFCJIQATKA-LLVKDONJSA-N	316.354	0.351	70	10	DCIE	
CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1	159928136	UGWTUUGBCFOCPW-GHMZBOCLSA-N	316.365	0.762	70	10	DCIE	
O=C(NC1CCS(=O)CC1)c1cc(S(=O)(=O)Cl)c[nH]1	159371854	NSGRBFHEAKRZLB-UHFFFAOYSA-N	324.811	0.583	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CC3(CCO3)C2)cc1	1972054473	FCZKCZUHCGUJRF-UHFFFAOYSA-N	321.351	0.508	70	10	DCIE	
Cc1cccc(C(=O)NCC2CN(S(=O)(=O)F)C2)c1N	1974058623	GQOBWRISVYFFER-UHFFFAOYSA-N	301.343	0.453	70	10	DCIE	
CS(=O)(=O)[C@@H]1CCCN(CCCS(=O)(=O)Cl)C1	310131142	KTFXBEAASYWYNC-SECBINFHSA-N	303.833	0.454	70	10	DCIE	
Cn1c([C@@H]2CCn3ccnc3C2)nnc1S(=O)(=O)Cl	2108980376	VOPPNBXAMDEONP-SSDOTTSWSA-N	301.759	0.669	70	10	DCIE	
COc1csc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1	2271495985	SJDQDAOXHPTEFP-SSDOTTSWSA-N	308.356	0.775	70	10	DCIE	
C[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271504836	IHCCIVXVFLABGZ-BBBLOLIVSA-N	314.404	0.383	70	10	DCIE	
COC[C@@]12CCO[C@@H]1CN(c1ncncc1[B-](F)(F)F)C2	2361565002	SIUJSLODAXOOPH-PWSUYJOCSA-N	302.085	0.773	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC(F)(F)C(F)F	302637775	FEWVHJSMJFLAJS-UHFFFAOYSA-N	324.639	0.777	70	10	DCIE	
CC(C)N1C[C@H](C(=O)NCCCNC(=O)C(F)(F)F)CC1=O	216850079	GKDIQYOJIBRDIY-SECBINFHSA-N	323.315	0.428	70	10	DCIE	
COC[C@]12CCO[C@H]1CN(c1ncncc1[B-](F)(F)F)C2	2361543864	SIUJSLODAXOOPH-CMPLNLGQSA-N	302.085	0.773	70	10	DCIE	
CC(C)N1CC[C@@H](CNC[C@@H](O)COC[C@@H]2CCCO2)C1	218763367	JXWZGNPGUPXFSH-XHSDSOJGSA-N	300.443	0.863	70	10	DCIE	
CCCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1COC	2125952882	BZSXCSXBTAWQLG-UHFFFAOYSA-N	309.775	0.483	70	10	DCIE	
CCn1nnnc1NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1525713772	WBVIAJHEMJGUIG-UHFFFAOYSA-N	313.314	0.532	70	10	DCIE	
CC(=O)NC/C=C\CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1533329297	YGOGVAZWQXGQPH-IHWYPQMZSA-N	303.315	0.095	70	10	DCIE	
CC(C)c1[nH]nc(C(=O)N2CCOCC2)c1S(=O)(=O)Cl	115787509	IKAPCTKTZAJHBL-UHFFFAOYSA-N	321.786	0.933	70	10	DCIE	
CCC1(S(=O)(=O)Nc2nn(C)cc2S(=O)(=O)F)CC1	1923151571	DGFCCQMKHJEAFP-UHFFFAOYSA-N	311.360	0.763	70	10	DCIE	
CCC(=O)N(C)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1726023571	WHWWQBANEPFZKE-MRVPVSSYSA-N	319.358	0.660	70	10	DCIE	
CCn1cnc(S(=O)(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1	160711829	BYUDCBQEWPCXSE-MNOVXSKESA-N	312.395	0.192	70	10	DCIE	
O=C([C@H]1CCc2c[nH]nc2C1)N1CC[C@H](S(=O)(=O)F)C1	2144734166	XXHHEOBOJAQHQF-WPRPVWTQSA-N	301.343	0.415	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2C[C@@H](OC)C2)c1S(=O)(=O)Cl	2145694657	HXDSXXIYAGPOSU-KNVOCYPGSA-N	321.786	0.807	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1C[C@@H]2CC[C@H](C1)S2	1974054562	FONQVYHWAOZRGE-FGWVZKOKSA-N	322.427	0.923	70	10	DCIE	
COCCn1ncc(N(C)[C@@H]2CCCNC2)c(Cl)c1=O	159419109	CHXHHZGALHKKLY-SNVBAGLBSA-N	300.790	0.731	70	10	DCIE	
CCc1nc(C#N)cc(S(=O)(=O)CCS(=O)(=O)Cl)n1	308279103	CQGRCCDNTMGVCM-UHFFFAOYSA-N	323.783	0.253	70	10	DCIE	
CO[C@H](C)CCS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2109250395	VRHSXJFICNOGMS-ZJUUUORDSA-N	317.404	0.505	70	10	DCIE	
C[C@H]1CCO[C@@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2096143716	RDLMOIWXQLMQJQ-NKWVEPMBSA-N	308.743	0.301	70	10	DCIE	
CO[C@@H]1CC[C@@H]1CS(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2230962896	YLKAEWRCSSISSU-KXUCPTDWSA-N	315.388	0.115	70	10	DCIE	
C[C@@](O)(CO)CNS(=O)(=O)/C=C\c1ccc(Cl)cc1	218165753	RRSCTIIHEJVQFG-DGMVEKRQSA-N	305.783	0.973	70	10	DCIE	
CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C[B-](F)(F)F)C1	1954879916	TVHFJJKFKTTYGA-UHFFFAOYSA-N	310.105	0.780	70	10	DCIE	
CCc1[nH]nc(C(=O)OCCN(C)C)c1S(=O)(=O)Cl	2119221204	BTAYBXPLNUHDMW-UHFFFAOYSA-N	309.775	0.618	70	10	DCIE	
NN[C@@H](Cc1cncc(Br)c1)[C@H]1COCCO1	161148342	UJULQGFMWPIUQT-WDEREUQCSA-N	302.172	0.634	70	10	DCIE	
Nc1cccc(-c2nnnn2[C@H]2CCS(=O)(=O)C2)c1Cl	161371051	LEWFAOVTAVPMEP-ZETCQYMHSA-N	313.770	0.935	70	10	DCIE	
Cn1c(C(=O)NCc2ccnc(-n3ccnc3)c2)cccc1=O	161450591	XDEUGXVIPYQXPH-UHFFFAOYSA-N	309.329	0.896	70	10	DCIE	
CN1CCCC[C@@H]1CN1CCN(CC2(O)CCOCC2)CC1	160082038	MRSLERWNMPWZBG-MRXNPFEDSA-N	311.470	0.630	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCC2CCN(C)CC2)cc1N	159606525	ZJSHXVGDNPHEIU-UHFFFAOYSA-N	312.439	0.931	70	10	DCIE	
CC[C@H](N)[C@H](N1CCOC[C@@H]1C(=O)NC1CC1)C(F)(F)F	159414005	AYCISNMXIPBEKO-AXFHLTTASA-N	309.332	0.634	70	10	DCIE	
NC(=S)c1cc(N2CCOC[C@H]2C(=O)NC2CC2)ccn1	159810541	HUHBZVKHUYFASB-LBPRGKRZSA-N	306.391	0.200	70	10	DCIE	
C[C@@H]1C[C@@H](N)CN(c2cnn(CCN(C)C)c(=O)c2Cl)C1	159798419	DLTQUFKMECIGQA-GHMZBOCLSA-N	313.833	0.632	70	10	DCIE	
Cc1c(CS(=O)(=O)F)cc(N)cc1OS(=O)(=O)F	1887520040	ZWGABZJIUPWCNS-UHFFFAOYSA-N	301.292	0.970	70	10	DCIE	
Cn1cc(Cl)c(C(=O)N2CCN(S(=O)(=O)F)CC2)n1	1974001149	NYNGIHKANMZTCM-UHFFFAOYSA-N	310.738	0.046	70	10	DCIE	
CNCc1ccc(S(=O)(=O)NC[C@@]2(OC)CCOC2)o1	161491185	GUQIBVQUVLXQTM-LBPRGKRZSA-N	304.368	0.083	70	10	DCIE	
CC(C)OCCCn1cc(S(=O)(=O)Cl)c(O)nc1=O	689462550	VEMVTUDZEVAQRP-UHFFFAOYSA-N	310.759	0.692	70	10	DCIE	
CN1CC[C@@H]2OCCN(c3ncc([B-](F)(F)F)cn3)[C@@H]2C1	2185497843	SRXJQOMMGPDUDO-MNOVXSKESA-N	301.101	0.440	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)[C@H]2CCC[C@H]2F)C1	2079000276	CXTCJSGRZFJCNP-BDAKNGLRSA-N	303.352	0.438	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@]12COC[C@H](C1)C2	2288733248	DRKWTLOCUSYOLA-OTCDBFHCSA-N	306.359	0.208	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]1	2359315923	CJCREYLNPKVCLB-HRDYMLBCSA-N	301.343	0.875	70	10	DCIE	
O=C1O[C@]2(CCCN(C(=O)Cn3cnnn3)C2)c2ccccc21	217588904	CUTLKLZMHATTIG-HNNXBMFYSA-N	313.317	0.361	70	10	DCIE	
COC(=O)CS(=O)(=O)NC[C@H]1CCCN1c1nccs1	217805900	KOKOIGSCEHTQME-SECBINFHSA-N	319.408	0.204	70	10	DCIE	
COc1nn(C[C@@H]2C[C@H]2OC)c(OC)c1S(=O)(=O)Cl	2131677465	MRVCAJXJTAXETC-NKWVEPMBSA-N	310.759	0.863	70	10	DCIE	
Cc1ncnc(N2C[C@H]3C[C@H]2CS3(=O)=O)c1[B-](F)(F)F	2116126169	MRPKDPOOLICXNL-JGVFFNPUSA-N	306.098	0.215	70	10	DCIE	
O=C1NCC[C@@H]1Cn1cc(S(=O)(=O)Cl)nc1C1CC1	2128746508	LYAGYQNMVFEGFW-MRVPVSSYSA-N	303.771	0.824	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@](O)(C(F)F)C1	1520006675	KCCRRZBCWKANGF-SNVBAGLBSA-N	312.269	0.515	70	10	DCIE	
COC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2CCC(=O)N(C)C2)c1C	161493621	SHCMLSALTCDHII-SNVBAGLBSA-N	307.350	0.769	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H](NC(C)=O)C1	160197130	SJSRPONIJDFMJC-NSHDSACASA-N	322.365	0.611	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1C(=O)C1(C(N)=S)CCC1	159783637	XZTDIXKIDRROMX-SNVBAGLBSA-N	313.423	0.195	70	10	DCIE	
CO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)Cl)cn2C)C1	234820415	DYBRGCIRFDMMTH-QMMMGPOBSA-N	306.771	0.814	70	10	DCIE	
CC[C@H](COC)c1nnc(S(=O)(=O)Cl)n1CCOC	1879027852	YRISBPULDRZRIK-MRVPVSSYSA-N	311.791	0.992	70	10	DCIE	
O=C([C@H]1COCCC1(F)F)N1CC(CS(=O)(=O)F)C1	1973027795	HMEYXJUJUZBUPQ-MRVPVSSYSA-N	301.286	0.416	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1	2028132176	YGRJOOTVIJFADI-SECBINFHSA-N	300.377	0.091	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ncnn2cccc12	2038432276	AYAGRLKPJQZYNC-UHFFFAOYSA-N	309.756	0.072	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CN(C)C(=O)O1	2182344371	PKQDCLAPAJZCND-SSDOTTSWSA-N	323.758	0.408	70	10	DCIE	
CO[C@]1(C(=O)N2CC(CCS(=O)(=O)F)C2)CCCOC1	2199686601	BLWHFDXSTJMLLS-GFCCVEGCSA-N	309.359	0.330	70	10	DCIE	
Cn1cccc(C(=O)N2CC(CCS(=O)(=O)F)C2)c1=O	2236089321	QIAJNBFROPGLMD-UHFFFAOYSA-N	302.327	0.147	70	10	DCIE	
CS(=O)(=O)[C@H]1CCC[C@@]12CC(=O)N2S(=O)(=O)Cl	114486248	YNSAIYAPVIFJFW-POYBYMJQSA-N	301.773	0.038	70	10	DCIE	
CN(c1ncncc1[B-](F)(F)F)[C@@H]1CS(=O)(=O)C1(C)C	2116144713	KGVKYBYBLHTPLD-MRVPVSSYSA-N	308.114	0.543	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1CC#CCOC	2125954223	RJKGDQANGIAGNG-UHFFFAOYSA-N	306.771	0.997	70	10	DCIE	
CC1(C)OC[C@H]2C[C@]21NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1348817110	JGLGZMAQNHNZOK-KRTXAFLBSA-N	302.327	0.970	70	10	DCIE	
C=CCNC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1271113810	UFEKWIGMORZUHC-SECBINFHSA-N	303.359	0.909	70	10	DCIE	
CO[C@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	224107142	FEXQFBCXVZEOFQ-MRVPVSSYSA-N	311.356	0.658	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cc(Cl)c[nH]2)[nH]1	1923168209	UNJPBTUESGNLNT-UHFFFAOYSA-N	306.706	0.734	70	10	DCIE	
COCCNCc1ccc(S(=O)(=O)NCC(C)(C)OC)o1	161490670	YOQFQPYZVWWUMU-UHFFFAOYSA-N	320.411	0.719	70	10	DCIE	
C[C@@H]1CC[C@H](CN)CN1c1cnn(CCO)c(=O)c1Cl	159530163	NAKLPNHOQUFZFW-NXEZZACHSA-N	300.790	0.453	70	10	DCIE	
CCOC(=O)c1nnn([C@H]2CCS(=O)(=O)C2)c1C(F)F	159570180	BVLWHXWXXANMMB-LURJTMIESA-N	309.294	0.752	70	10	DCIE	
COC(=O)CN(CC(=O)OC)Cc1nc(C)cc(Cl)n1	159743586	QOYBHJIQSLEJMJ-UHFFFAOYSA-N	301.730	0.586	70	10	DCIE	
CN([C@H]1CCN(c2ccncc2[B-](F)(F)F)C1)S(C)(=O)=O	2172782389	QOVWJTWSNHMMFT-VIFPVBQESA-N	322.141	0.606	70	10	DCIE	
Cc1ncnc(N(C)C[C@@H]2CN(C)CCO2)c1[B-](F)(F)F	2172772451	NXCDJGDTCANDSI-JTQLQIEISA-N	303.117	0.606	70	10	DCIE	
CC(=O)N1CCC[C@@H]1C(=O)N1CC(CCS(=O)(=O)F)C1	2199684787	URNKAPUOWWCLMX-LLVKDONJSA-N	306.359	0.145	70	10	DCIE	
C[C@H]1CCCCN1S(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2088470160	VBKIQJUSMDDSAH-UWVGGRQHSA-N	314.404	0.479	70	10	DCIE	
CN1CCC[C@H](CC(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2287076550	JJFONTGXJRWDLY-MNOVXSKESA-N	307.391	0.123	70	10	DCIE	
Cc1cccc(O)c1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287062210	CVNQPWFVWNCYEH-SECBINFHSA-N	302.327	0.719	70	10	DCIE	
C#C[C@H]1CCN1S(=O)(=O)c1cccc(S(=O)(=O)F)c1	1965832851	MEPQHODNCPMDPK-VIFPVBQESA-N	303.336	0.741	70	10	DCIE	
COC[C@]12CCO[C@@H]1CN(c1ncncc1[B-](F)(F)F)C2	2361565003	SIUJSLODAXOOPH-ZYHUDNBSSA-N	302.085	0.773	70	10	DCIE	
COc1cccc(CCNC(=O)N2CCN(CCO)CC2)c1	217424147	VETSVWQUWIDLAJ-UHFFFAOYSA-N	307.394	0.557	70	10	DCIE	
O=C(/C=C\c1ccccc1Br)NC[C@@H](O)CO	218220502	PUIMJEDSHYQDOQ-WWQCOOJYSA-N	300.152	0.932	70	10	DCIE	
Cn1cnc(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)n1	1131551223	IOCKXLGHRHUJJH-UHFFFAOYSA-N	302.262	0.865	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1CC1CN(C)C1	2134822714	CSGZAQZDPMNXGJ-UHFFFAOYSA-N	307.803	0.909	70	10	DCIE	
CCN1CCC[C@H]1CNS(=O)(=O)c1ccsc1CN	217533445	UASUJLQEHYMYLX-JTQLQIEISA-N	303.453	0.969	70	10	DCIE	
COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ncc(S(=O)(=O)F)s1	1530981696	ILWDGGUNDKTQBI-CRCLSJGQSA-N	308.312	0.549	70	10	DCIE	
COC(=O)Cn1ncc(N[C@H]2CCCCNC2)c(Cl)c1=O	159479621	LCSFPXLHKBYZRN-VIFPVBQESA-N	314.773	0.624	70	10	DCIE	
C[C@H](N)c1cccc(S(=O)(=O)NCC(=O)NC(C)(C)C)c1	159897102	MDXGLPIVOXQINQ-JTQLQIEISA-N	313.423	0.899	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cc(N)cc(C)c2F)CCOC1	159898932	VNUQMHFFOWLBIS-ZDUSSCGKSA-N	318.370	0.800	70	10	DCIE	
CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](S(=O)(=O)F)C1	1968235694	NVJAXFOKKHCHSV-SECBINFHSA-N	308.375	0.439	70	10	DCIE	
O=C(N1CCC[C@@H](S(=O)(=O)F)C1)C12CCN(CC1)CC2	2145150674	YCYUCIGQUYYNSR-LLVKDONJSA-N	304.387	0.763	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCO[C@H]([C@H]3CCOC3)C2)nc1	2172774173	LNCCAZKJFBQFKI-ONGXEEELSA-N	302.085	0.773	70	10	DCIE	
C[C@@H]1CC[C@@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)OC1	2172992461	HFBAPRGTKUWRON-SFYZADRCSA-N	322.770	0.692	70	10	DCIE	
Cc1cccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1	2287091294	WFCUZVROJZXFRL-SNVBAGLBSA-N	322.383	0.562	70	10	DCIE	
O=S(=O)(Cl)CCCCN1C[C@@H]2CS(=O)(=O)[C@H]2C1	2299799671	SFEXYDGXKGSXHM-BDAKNGLRSA-N	301.817	0.064	70	10	DCIE	
COc1nc(N2CC(C[S@](C)=O)C2)ncc1[B-](F)(F)F	2116127677	AYCWGRCRZKCRHN-FQEVSTJZSA-N	308.114	0.354	70	10	DCIE	
Cc1ncnc(N2CCS(=O)(=O)[C@@H](C)C2)c1[B-](F)(F)F	2116131814	DREACLSDSOKVDW-ZETCQYMHSA-N	308.114	0.463	70	10	DCIE	
O=S(=O)(Cl)CCOCCOC1CC(n2cnnc2)C1	2127415892	BQHKPFQGXMLUSE-UHFFFAOYSA-N	309.775	0.583	70	10	DCIE	
CC(C)C(=O)NC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1704008210	IDEGKYZEGUSXKI-MRVPVSSYSA-N	319.358	0.563	70	10	DCIE	
CNC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Cl)ccc21	105518671	MDTPHWNOBCUTJA-UHFFFAOYSA-N	304.711	0.268	70	10	DCIE	
C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)c2ncnn2C1	1597945420	LSLIVVRXCCETTQ-SSDOTTSWSA-N	313.314	0.561	70	10	DCIE	
COC(=O)[C@H]1CCCN(C(=O)Nc2cnn(CCN(C)C)c2)C1	161491594	CQCYPNBHIISXPQ-LBPRGKRZSA-N	323.397	0.862	70	10	DCIE	
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cnc2c(c1)ncn2C	159704508	WSDLXZVWHQWIBI-UWVGGRQHSA-N	301.350	0.694	70	10	DCIE	
CC(C)N1C[C@H](C(=O)N2CC[C@H](S(=O)(=O)F)C2)CC1=O	2144733034	LTYNSHRASGMXNK-ZJUUUORDSA-N	306.359	0.144	70	10	DCIE	
Cc1nc(N2CCS(=O)(=O)C(C)(C)C2)ncc1[B-](F)(F)F	2172758093	LNJJLOSYMIZUKB-UHFFFAOYSA-N	322.141	0.853	70	10	DCIE	
Cn1cc(C=CC(=O)N2CC(CCS(=O)(=O)F)C2)cn1	2199686712	BXXSZECOKYSDKZ-UHFFFAOYSA-N	301.343	0.581	70	10	DCIE	
O=C(c1cc(Cl)ncc1[N+](=O)[O-])N1CC(S(=O)(=O)F)C1	2199683207	VNSOGMLRVJHHEX-UHFFFAOYSA-N	323.689	0.767	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2191168717	XNZXHKKKZRKABH-ATNALUSPSA-N	316.766	0.778	70	10	DCIE	
CC(C)(F)CS(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2112724879	OOCKTPUUURXNGJ-UHFFFAOYSA-N	320.383	0.333	70	10	DCIE	
COc1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)s1	2271496942	CFMVTHIKKMWKFX-ZETCQYMHSA-N	308.356	0.775	70	10	DCIE	
CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCNC1	140936956	RDAANHVTHKTVEK-UHFFFAOYSA-N	303.258	0.663	70	10	DCIE	
CN1CCC(CC(=O)N2CCN(S(=O)(=O)F)CC2)CC1	2163654798	JCZLYMQLDADZAC-UHFFFAOYSA-N	307.391	0.077	70	10	DCIE	
O=S1(=O)C[C@H]2C[C@H]1CN2c1ncc(F)cc1[B-](F)(F)F	2132081151	KJABKAXTYHQJLU-SFYZADRCSA-N	309.073	0.651	70	10	DCIE	
CN(C(=O)c1cc(F)c(F)cc1S(N)(=O)=O)[C@@H]1CCOC1	160510453	BIYURSHJJKOKCY-SSDOTTSWSA-N	320.317	0.473	70	10	DCIE	
COC(=O)Cn1ccc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)n1	160553103	RCFZFDLCGBETLU-VIFPVBQESA-N	320.353	0.840	70	10	DCIE	
CCn1cnc(-c2nnc(S(=O)(=O)Cl)n2CCOC)c1	2144306200	UAQKSGJJYYPIPT-UHFFFAOYSA-N	319.774	0.735	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)C[C@H]1CCS(=O)(=O)C1	2031505746	OHTWVTNSPLQWOO-SNVBAGLBSA-N	317.860	0.702	70	10	DCIE	
NC(=O)CSCCC(=O)Nc1ccccc1S(=O)(=O)F	701176547	NTQCPEGRGDEAPM-UHFFFAOYSA-N	320.367	0.892	70	10	DCIE	
Cc1nc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)ccc1[B-](F)(F)F	2172783589	HEYYQNOHGJNJTO-AOOOYVTPSA-N	319.137	0.925	70	10	DCIE	
CC(C)N(C)S(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2110221158	JEGQDEXUGZRNCZ-UHFFFAOYSA-N	311.360	0.737	70	10	DCIE	
COc1cncc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1	2287077498	DLOWEPDDZHDMDN-VIFPVBQESA-N	303.315	0.109	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1cc2c(cn1)CCC2	2319328228	DCONRXWYLPQRMG-UHFFFAOYSA-N	309.796	0.913	70	10	DCIE	
CN(c1ncncc1[B-](F)(F)F)[C@H]1CC[C@@H](S(C)(=O)=O)C1	2361699368	XRWUKJSAXLLWAE-DTWKUNHWSA-N	322.141	0.933	70	10	DCIE	
COCc1ncc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)n1C	2363886801	YHWQTTUITUOAOL-QMMMGPOBSA-N	305.331	0.080	70	10	DCIE	
CN(C)CCCNS(=O)(=O)c1ccc(F)c(CN)c1F	217455550	QOPAAFBWDYJDFQ-UHFFFAOYSA-N	307.366	0.654	70	10	DCIE	
C[C@H]1COCC[C@@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923178602	RWXFGEUHCSOLQP-YUMQZZPRSA-N	305.331	0.111	70	10	DCIE	
O=C1CC[C@@H]2CN(c3nc4sccn4c3CO)CC[C@H]2N1	160458420	CTRJQHHHOHQCEP-NXEZZACHSA-N	306.391	0.993	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)NCc2ccccc2CO)C[C@@H](C)O1	159748333	QAFIVPNNWBFJNB-TXEJJXNPSA-N	314.407	0.623	70	10	DCIE	
CO[C@H]1CN(S(=O)(=O)Cl)C[C@H]1NC(=O)OC(C)(C)C	1880793257	CVPQLLGDKUPHNA-SFYZADRCSA-N	314.791	0.694	70	10	DCIE	
Cc1c(-c2nnc(S(=O)(=O)Cl)n2CC(C)C)nnn1C	2144608267	RSOZTZFSTKZCLG-UHFFFAOYSA-N	318.790	0.966	70	10	DCIE	
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC(S(=O)(=O)F)C1	1968217355	KAODZZOIMXWVQL-UHFFFAOYSA-N	302.283	0.647	70	10	DCIE	
COC[C@H]1CN(c2ncncc2[B-](F)(F)F)C[C@@H]1COC	2172772922	UJYNWIHZBCELCT-NXEZZACHSA-N	304.101	0.876	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC1COCCOC1	380705197	HKGLNHZMNSECKL-UHFFFAOYSA-N	322.770	0.098	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)C1CC2(C1)CC(F)(F)C2	2284151862	VFQNGHUQQNDMAK-UHFFFAOYSA-N	312.313	0.827	70	10	DCIE	
CCn1nc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cc1C	2287070615	UYDUDCQTXLCBDR-VIFPVBQESA-N	304.347	0.230	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1[C@@H]2CCO[C@@H]21	2330735638	UWNNBVSTNSQOLA-HGNGGELXSA-N	304.755	0.470	70	10	DCIE	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2[C@@H](C)C[C@@H]3CNC[C@@H]32)C1	217810056	LFIDAKGSQPTTGG-VJTDZRGJSA-N	301.456	0.891	70	10	DCIE	
C#CCN(C)CCNC(=O)c1cccc(S(=O)(=O)Cl)c1	392839343	XMHNZBJTZXVSPN-UHFFFAOYSA-N	314.794	0.909	70	10	DCIE	
COc1nc(N2CCC[S@@](=O)CC2)ncc1[B-](F)(F)F	2116132134	JYLFMZHSMXTSER-HXUWFJFHSA-N	308.114	0.498	70	10	DCIE	
C=CCN[C@H](C)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1331562297	YBYVHBDXBYFGKU-SECBINFHSA-N	303.359	0.909	70	10	DCIE	
Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1O	161248440	DGSJKWPHGHVRNT-KKUMJFAQSA-N	315.377	0.795	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CCO1	166120442	TZCDCROBPWRWQJ-VIFPVBQESA-N	323.367	0.754	70	10	DCIE	
CN(C)CCn1ncc(N[C@@H]2CCC[C@H]2CN)c(Cl)c1=O	159638165	HIMOFKGQIXIYHY-WDEREUQCSA-N	313.833	0.998	70	10	DCIE	
COCCn1c(-c2cnn(C)c2C)nnc1S(=O)(=O)Cl	158062946	YCNFSPVDWABUHN-UHFFFAOYSA-N	319.774	0.561	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCCCCN(C)C)cc1N	159610518	PFXFNODFSYRPSP-UHFFFAOYSA-N	300.428	0.931	70	10	DCIE	
COc1nc(N2CCOCCOCC2)ncc1[B-](F)(F)F	2172758586	RWEBNOILOIMMIX-UHFFFAOYSA-N	306.073	0.393	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCO[C@H]3COCC[C@@H]32)n1	2172764975	KXYLBAFOCBHCDB-QWRGUYRKSA-N	302.085	0.834	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CC(CS(C)(=O)=O)C2)n1	2172771926	HGCGDVCIVAYISB-UHFFFAOYSA-N	322.141	0.629	70	10	DCIE	
C[C@@H]1C[C@@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CCO1	2182914306	WMDSTUPISVUUMA-SFYZADRCSA-N	305.331	0.254	70	10	DCIE	
C[C@H]1[C@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1(F)F	2095472430	MVDZMJYOLURZMC-WHFBIAKZSA-N	314.697	0.778	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1C[C@@]12CCOC2	2198307241	ABVNJAWQZIGEGZ-CMPLNLGQSA-N	318.782	0.861	70	10	DCIE	
COCC(COC)CC(=O)N1CCC[C@H](S(=O)(=O)F)C1	2187436378	HQBKFKGPMRVQRU-NSHDSACASA-N	311.375	0.576	70	10	DCIE	
CO[C@@H](C(=O)N1CC(CS(=O)(=O)F)C1)C1CCOCC1	2199682533	KXSVWWYFUJQOHK-LLVKDONJSA-N	309.359	0.186	70	10	DCIE	
CN1CCOC[C@H]1c1nnc(S(=O)(=O)Cl)n1C1CC1	2099566247	NRRHTRYMQGUQOH-QMMMGPOBSA-N	306.775	0.544	70	10	DCIE	
COC[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287073964	ZWIMLMLRBYVSPG-GHMZBOCLSA-N	310.391	0.700	70	10	DCIE	
Cc1[nH]nc(C(=O)N2CCO[C@H]3C[C@@H]32)c1S(=O)(=O)Cl	2115272652	XZFMTNJZZZTFMA-BQBZGAKWSA-N	305.743	0.259	70	10	DCIE	
C=CCN[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1317026438	AEAMKMCOPJZDOG-GFCCVEGCSA-N	315.370	0.957	70	10	DCIE	
CC[C@H](C)N1C(=O)C[C@@H](N[C@@]2(C)CCS(=O)(=O)C2)C1=O	218517660	IUORRRCYDNSICP-CWSCBRNRSA-N	302.396	0.079	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)NC(C)(C)C)n1	1923193052	OFEIRJDAOFMDSJ-UHFFFAOYSA-N	314.364	0.123	70	10	DCIE	
COc1ccncc1C(=O)N1CCC(S(=O)(=O)F)CC1	1927203896	ZPNMQCNZMGZBAY-UHFFFAOYSA-N	302.327	0.994	70	10	DCIE	
CO[C@]1(CNC(=O)c2sc3nccnc3c2N)CCOC1	161497624	BYFNDELGVPLKRM-ZDUSSCGKSA-N	308.363	0.809	70	10	DCIE	
CNC(=O)c1ccc(NC(=O)c2nc(C)c(C)[nH]c2=O)cc1	159609251	YJYMCMUDWLRUHG-UHFFFAOYSA-N	300.318	0.999	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCCCn2ccnc2)cc1N	159561185	KKKPUOJBKOVNHB-UHFFFAOYSA-N	309.395	0.876	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@]2(C)CCO[C@@H]2C)c1S(=O)(=O)Cl	235633537	JNXVCXRMYSHBHV-HQJQHLMTSA-N	321.786	0.943	70	10	DCIE	
COC(=O)c1ccc2c(c1)NC(=O)CN2CCS(=O)(=O)F	883954273	GOIAOBGDKSRMPM-UHFFFAOYSA-N	316.310	0.531	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ncccc1Cl	1974060970	ZIBQFMHUKNTDNK-UHFFFAOYSA-N	307.734	0.611	70	10	DCIE	
CCCn1c([C@H]2CN3CCN2CC3)nnc1S(=O)(=O)Cl	2155750021	VVEHELVOEJOHNV-SECBINFHSA-N	319.818	0.288	70	10	DCIE	
COC(=O)NS(=O)(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2073787208	NXXVAZHKZVTUHL-XPUUQOCRSA-N	301.075	0.901	70	10	DCIE	
O=C(N[C@@H]1C[C@@H]2COC[C@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2087577362	UZJDFCIPMUTDSR-FTLITQJKSA-N	304.755	0.707	70	10	DCIE	
NC(=O)COCCn1cc(S(=O)(=O)Cl)nc1C1CC1	2232299817	LXJFPSBHWPBERM-UHFFFAOYSA-N	307.759	0.190	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccc(F)c(F)c1	2287078223	ZGQPRDOZNZBDRW-MRVPVSSYSA-N	308.281	0.983	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC[C@H]1CC1(F)F	691219661	HKPNMYPMQQFYFE-YFKPBYRVSA-N	314.697	0.922	70	10	DCIE	
O=S1(=O)CC[C@H](COc2ccc(F)c([B-](F)(F)F)c2)N1	2116236310	KYPVVQUDBHGGBC-SSDOTTSWSA-N	312.073	0.951	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ncc2ccccc2n1	2121529228	OBEYPOOVFYIXFS-UHFFFAOYSA-N	320.779	0.972	70	10	DCIE	
COc1ccc(NS(=O)(=O)N2CCCC[C@@H]2CO)cn1	218053992	HIWIFJGNJJOPDP-LLVKDONJSA-N	301.368	0.594	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CCC[C@@H]3C[C@H]32)[nH]1	1923163899	NFZZMCMWHOGGKR-IWSPIJDZSA-N	301.343	0.875	70	10	DCIE	
CC(=O)N[C@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1725885654	CDUYZPCXJUSUIT-RQJHMYQMSA-N	305.331	0.316	70	10	DCIE	
C#CCCN[C@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1570633444	HMCWDNUYBSTWQW-NXEZZACHSA-N	315.370	0.793	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1c(F)c(F)nc(F)c1F	160261371	VZWUZMQXAQGSKJ-LURJTMIESA-N	307.247	0.979	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2N3)c1	160321960	UQKUQAMGNDDNOU-LSJOCFKGSA-N	310.375	0.875	70	10	DCIE	
CC1(C)[C@@H]2OCC[C@@H]2[C@]1(N)C(=O)Nc1sccc1C(N)=O	160359040	INOCXVGVDATDJA-QIBSRJKCSA-N	309.391	0.928	70	10	DCIE	
O=C1CCCCCN1CC(=O)N1CC[C@H](S(=O)(=O)F)C1	2144732518	GSPWCBCGOWJUBP-JTQLQIEISA-N	306.359	0.289	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccc(CO)cc1	1974058445	FOERNIFLRWYVKB-UHFFFAOYSA-N	302.327	0.055	70	10	DCIE	
O=C(c1ccc(F)cc1F)N1CCN(S(=O)(=O)F)CC1	1974001020	LKGWTHYFOWVDEJ-UHFFFAOYSA-N	308.281	0.937	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)[C@H]1CCCC[C@@H]1F	2006781722	QHGREWKIULXMLV-YUMQZZPRSA-N	307.796	0.755	70	10	DCIE	
COc1nn(CC[S@@](C)=O)c(OC)c1S(=O)(=O)Cl	2032473842	OMUUMCPIWFNDJC-QGZVFWFLSA-N	316.788	0.206	70	10	DCIE	
COc1nc(N(C)Cc2nncn2C)ncc1[B-](F)(F)F	2172765349	PSKBLAVMPBIBKC-UHFFFAOYSA-N	301.061	0.305	70	10	DCIE	
NC(=O)CCOc1cc(F)c(S(=O)(=O)F)cc1[N+](=O)[O-]	2191424330	QXFWPTIHGUKRTH-UHFFFAOYSA-N	310.234	0.646	70	10	DCIE	
COCCN(C)C1CN(c2ncc([B-](F)(F)F)c(C)n2)C1	2192530907	MWSKHUPNXFVBFH-UHFFFAOYSA-N	303.117	0.606	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@]12CCCC[C@H]1OCC2	2284150996	NWUXECKFPHINKU-PWSUYJOCSA-N	306.359	0.350	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)CCc1ccccn1	124134557	KVXVAVWHAHDGFH-UHFFFAOYSA-N	312.800	0.112	70	10	DCIE	
COCCOCCCNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	234765644	PNANZPMSRFZWDY-UHFFFAOYSA-N	324.786	0.725	70	10	DCIE	
N#CC1(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)F)C2)CCC1	2166365943	KVZHUQVRHJZOFF-JTQLQIEISA-N	324.399	0.774	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1CCO[C@@H](CF)C1	2115449847	KNCJELCWBDVCHC-ZETCQYMHSA-N	310.734	0.753	70	10	DCIE	
O=C(c1ccnc(Cl)n1)N1CC(CCS(=O)(=O)F)C1	2134978271	DDDIFHYCWSRLAE-UHFFFAOYSA-N	307.734	0.891	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)c2ccco2)n1	1923155936	HJNVFIHWWVBXNV-UHFFFAOYSA-N	309.300	0.472	70	10	DCIE	
C[C@H]1C(S(=O)(=O)Nc2nn(C)cc2S(=O)(=O)F)[C@@H]1C	1923157326	VPXHPFCQRQOYIX-PHDIDXHHSA-N	311.360	0.474	70	10	DCIE	
CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H](C)CO)cc1	160363916	WJUWIJPHPVXOMN-GHMZBOCLSA-N	314.407	0.732	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)NCCNC(=O)C(C)(C)C	160426468	HQPDCWFEWLKGJM-UHFFFAOYSA-N	324.381	0.762	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@@H](CO)CC(C)C)cc1N	159583374	XDGOBCHDYNRRKO-LLVKDONJSA-N	301.412	0.996	70	10	DCIE	
C[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)Cl)cn2C)CO1	401457237	ICDVNDMHDIWLPM-SFYZADRCSA-N	306.771	0.860	70	10	DCIE	
CO[C@@H]1CN(c2nc(C)ncc2[B-](F)(F)F)[C@H]2COC[C@H]12	2172766211	CRLYDKXSEJSYHP-INTQDDNPSA-N	302.085	0.689	70	10	DCIE	
CO[C@H]1C[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2188246577	MGZHJEVHVNWFGG-SFYZADRCSA-N	321.786	0.753	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@H]1CCCN(C)C1=O	2182342197	DOUUBIZZDWLYCS-QMMMGPOBSA-N	321.786	0.750	70	10	DCIE	
Cc1ncnc(O[C@@H]2CCN(S(C)(=O)=O)C2)c1[B-](F)(F)F	2285597816	AJGCGNTWXDPVJN-MRVPVSSYSA-N	324.113	0.252	70	10	DCIE	
C[C@@H]1CC2(CC(=O)N2S(=O)(=O)Cl)C[C@@H](C)S1(=O)=O	2327577246	JMDHZFRGWZLUCM-RNFRBKRXSA-N	315.800	0.427	70	10	DCIE	
CN(C[C@@H]1CCO1)C(=O)c1cc(S(=O)(=O)Cl)cn1C	2341216014	GUVYQIXGFGPFOX-QMMMGPOBSA-N	306.771	0.814	70	10	DCIE	
C[C@@H]1CC(C(=O)N2CCN(S(=O)(=O)F)CC2)C[C@@H](C)O1	2163664776	GEZZZAPIPISXHW-NXEZZACHSA-N	308.375	0.549	70	10	DCIE	
C#CCCCS(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	1923143361	GHBKMCJHGITCIE-UHFFFAOYSA-N	309.344	0.233	70	10	DCIE	
C[C@H](N)[C@@H]1CN(c2c(Cl)cnn(CC3CC3)c2=O)CCO1	159949879	PBJPQAJQQGKWAZ-CABZTGNLSA-N	312.801	0.859	70	10	DCIE	
C=C1COC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1965840446	PYWVTGLJQXUELX-LLVKDONJSA-N	321.351	0.578	70	10	DCIE	
CC(C)(F)[C@@](C)(F)C(=O)NCC1CN(S(=O)(=O)F)C1	1974055990	YZUOZYVGKSCBNV-JTQLQIEISA-N	302.318	0.725	70	10	DCIE	
COCCn1ncc(N2CC[C@H](N)[C@@H](C)C2)c(Cl)c1=O	159791173	TWULHRWXKVVOKD-UWVGGRQHSA-N	300.790	0.717	70	10	DCIE	
CN(CC[C@H](N)c1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1	161241745	UQLSQKIEYYAVBT-NEPJUHHUSA-N	301.387	0.730	70	10	DCIE	
CC1(C)CC[C@@H](CC(CO)(CO)[C@H]2CCS(=O)(=O)C2)O1	161364496	JHSBINSHWUWOPC-RYUDHWBXSA-N	306.424	0.740	70	10	DCIE	
C[C@@]1(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CCOC1	163335864	DLWMBFGPIMDWMZ-LLVKDONJSA-N	323.367	0.802	70	10	DCIE	
Cc1ncnc(C(=O)N2CC(CCS(=O)(=O)F)C2)c1C	2206521678	YNEDUECJEYJNIL-UHFFFAOYSA-N	301.343	0.855	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CCN1C[C@@H]2CC[C@H](C1)O2	2235247148	IZZNQBREGUCDQT-PHIMTYICSA-N	319.814	0.982	70	10	DCIE	
Cc1nn(CC(=O)NCCC#N)c(C)c1S(=O)(=O)Cl	215760205	BKQGNEYWSKLCSX-UHFFFAOYSA-N	304.759	0.457	70	10	DCIE	
COc1ccc([C@@H](O)CNC(=O)C(=O)NCC(C)C)cc1OC	217378451	ROZYYLMJLLKUQH-LBPRGKRZSA-N	324.377	0.626	70	10	DCIE	
CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)Cl)cc1	213398532	RTSRMOFKSDEAAE-UHFFFAOYSA-N	312.756	0.407	70	10	DCIE	
Cc1nnc2cccc(S(=O)(=O)CCS(=O)(=O)Cl)n12	1924566429	LARQORZFSXWTKU-UHFFFAOYSA-N	323.783	0.380	70	10	DCIE	
C[C@@H](O)[C@H](O)CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	1559247189	GFONAHBPRIOFLB-RDDDGLTNSA-N	322.314	0.548	70	10	DCIE	
CO[C@@H](C)CN[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1774037804	GKYKLMBUSAMQCQ-BDAKNGLRSA-N	321.374	0.416	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1	161121441	YFNUKRQYDRMIIM-CABZTGNLSA-N	324.381	0.319	70	10	DCIE	
COC(=O)Cn1ncc(N2CC[C@@H](N)C[C@@H]2C)c(Cl)c1=O	159929840	XLXDUYCFVPMAEY-DTWKUNHWSA-N	314.773	0.386	70	10	DCIE	
CS(=O)(=O)C[C@H]1CCCCN1c1ncncc1[B-](F)(F)F	2172773494	CAJQCMZOPNCEGB-SECBINFHSA-N	322.141	0.935	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)C[C@@H]1CO[C@H]2COC[C@@H]12	2101814420	MWGPYAYHHBUMRG-WOPDTQHZSA-N	311.831	0.928	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)CCc1ccncc1	124140257	TYXYRORWQNQYLR-UHFFFAOYSA-N	312.800	0.112	70	10	DCIE	
O=c1ccccn1C[C@H](O)CNS(=O)(=O)c1cccs1	218464127	GCINFMTZGKZEAQ-SNVBAGLBSA-N	314.388	0.249	70	10	DCIE	
Cc1nc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)n[nH]1	381844096	KPLAEOXEZCLLGS-UHFFFAOYSA-N	306.691	0.194	70	10	DCIE	
O=C(N[C@@H]1[C@@H]2CCCO[C@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2120039979	PNIXALXVUMRZBK-FXBDTBDDSA-N	304.755	0.849	70	10	DCIE	
O=[N+]([O-])c1nn(C[C@@H]2OCC[C@@H]2F)cc1S(=O)(=O)Cl	2122531209	MCGHMSOUYQKGJO-WDSKDSINSA-N	313.694	0.846	70	10	DCIE	
COC(=O)/C=C/[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1648137455	PQMKWHSCNDSVGK-SDLBARTOSA-N	304.299	0.520	70	10	DCIE	
CCc1nc2n(n1)C[C@H](NC(=O)N(C)C[C@H]1CCC[C@@H]1O)CC2	161280104	QNFNRWSQNVDGCX-UPJWGTAASA-N	321.425	0.958	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1nc(Cl)nc2[nH]ncc12	160257182	HHLXPQBKKAMARB-MRVPVSSYSA-N	310.745	0.348	70	10	DCIE	
CCOC1CC(C(=O)NC2CCN(S(=O)(=O)F)CC2)C1	1974393984	AYMPIQADDQCCQO-UHFFFAOYSA-N	308.375	0.596	70	10	DCIE	
CCCS(=O)(=O)N1CCC(N[C@@H](CC)C(=O)OC)CC1	159529161	VCPWXRMKWWHICF-LBPRGKRZSA-N	306.428	0.732	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1c1nc(Cl)ncc1F	160284099	NBTLGLDGLFXBLD-SECBINFHSA-N	302.737	0.999	70	10	DCIE	
CO[C@H](C(=O)N1CCC(S(=O)(=O)F)CC1)[C@@H]1CCOC1	2150277171	AEKFSWVTHCFSIT-KOLCDFICSA-N	309.359	0.328	70	10	DCIE	
CN(C)CCN1CCN(c2ncc([B-](F)(F)F)cn2)CC1	2172771821	FUQUOHPUGACHPS-UHFFFAOYSA-N	302.133	0.215	70	10	DCIE	
Cc1cc(N2C[C@@H]3OCCN(C)[C@@H]3C2)ncc1[B-](F)(F)F	2172780531	RNLOQYAFNLYOFZ-NEPJUHHUSA-N	300.113	0.964	70	10	DCIE	
Cc1ncnc(N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1[B-](F)(F)F	2172758222	MYHDYSSYFIAYEC-BDAKNGLRSA-N	322.141	0.851	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@@H]1C(F)(F)F	2108160655	JNCHHZFUICCXJH-RQJHMYQMSA-N	304.265	0.447	70	10	DCIE	
CC(C)c1c[nH]nc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287079803	WNNNFSHFFZOQIE-MRVPVSSYSA-N	304.347	0.552	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C12CCC(CC1)OC2	2287075629	DSTPTIGGOUWIKM-GRZMOONWSA-N	306.359	0.350	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)[C@@H]1CC[C@@H](S(C)(=O)=O)C1	2314938297	NAMRKSHICBNHRM-NXEZZACHSA-N	317.860	0.843	70	10	DCIE	
O=C(C[C@@H]1CCC1(F)F)NCC1CN(S(=O)(=O)F)C1	2335410726	KDTNDDAXVFZXRL-QMMMGPOBSA-N	300.302	0.684	70	10	DCIE	
CC(C)(C)OC(=O)N1CCC[C@@H](CNCCNC(N)=O)C1	160865167	WUFRINBHVMYYOP-NSHDSACASA-N	300.403	0.891	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CCS(=O)(=O)CC2)n1	2116129382	UMFYBFDYYWPIOV-UHFFFAOYSA-N	308.114	0.383	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@H](C)N1CCOCC1	2132115528	KNHNOIFMMMJDQD-VIFPVBQESA-N	307.803	0.840	70	10	DCIE	
NC(=O)c1ncc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)s1	1626404124	JSOLQQNYMIOLOB-UHFFFAOYSA-N	318.311	0.481	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1Cc1ccc(F)cc1C(N)=S	159820095	UDKXTKOKUJYCLP-LBPRGKRZSA-N	311.382	0.407	70	10	DCIE	
Cc1c(C(=O)O)cc(OS(=O)(=O)F)cc1N1CCNCC1	1887579123	AZGVAVNRIAAMNU-UHFFFAOYSA-N	318.326	0.696	70	10	DCIE	
Cn1nccc1C=CC(=O)N1CCC(S(=O)(=O)F)CC1	2144732954	KWYMIZSLGQMWBI-UHFFFAOYSA-N	301.343	0.724	70	10	DCIE	
O=C([C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@@H]21)N1CCC[C@H](S(=O)(=O)F)C1	2144733073	MGGFQYAQFZERLA-OJEYFTNHSA-N	303.355	0.700	70	10	DCIE	
COCc1cc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)no1	2144733641	SALVNIKJTRDKQF-VIFPVBQESA-N	306.315	0.725	70	10	DCIE	
COc1nn(CC[S@](C)=O)c(OC)c1S(=O)(=O)Cl	2032473841	OMUUMCPIWFNDJC-KRWDZBQOSA-N	316.788	0.206	70	10	DCIE	
COc1nc(N2CCN(C)[C@@H]3CC[C@H]32)ncc1[B-](F)(F)F	2172757400	AWHMOWJBIOZSGK-NXEZZACHSA-N	301.101	0.822	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cncc(Cl)c1	2271498508	RKFSGQBVBCKGNW-VIFPVBQESA-N	307.734	0.753	70	10	DCIE	
O=C(c1cnnc(Cl)c1)N1CC(CCS(=O)(=O)F)C1	2273876659	CQCXQNWMHFGKTH-UHFFFAOYSA-N	307.734	0.891	70	10	DCIE	
N#CC1(CS(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)CCCC1	2166365887	KAGZWUBXSGGLQB-JTQLQIEISA-N	324.399	0.774	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CNC(=O)O1	2125952823	BFVDLRITJNFNOU-ZCFIWIBFSA-N	309.731	0.065	70	10	DCIE	
Cc1ccc(C)c(S(=O)(=O)N2CC(S(=O)(=O)F)C2)c1	2134974802	KKLYEYPVUJXJIO-UHFFFAOYSA-N	307.368	0.976	70	10	DCIE	
Cc1oc(CO)cc1S(=O)(=O)NCC(C)(C)CN(C)C	217297596	AIQNLZVSPDKREB-UHFFFAOYSA-N	304.412	0.946	70	10	DCIE	
CCN(CCNS(=O)(=O)c1cn(CC)nc1N)C1CC1	218191546	XOHAWQFZMYTTBE-UHFFFAOYSA-N	301.416	0.248	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ccoc2Cl)[nH]1	1923167027	IMXSWQNQAQQOGN-UHFFFAOYSA-N	307.690	0.999	70	10	DCIE	
CCOC1CC(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)C1	1923166902	GYIVJTKDSLPRFS-UHFFFAOYSA-N	305.331	0.254	70	10	DCIE	
CCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCC(=O)N(C)C1)CC2	160065404	QEJRMPBFMDTBKY-WDEREUQCSA-N	320.397	0.075	70	10	DCIE	
CN1CCN(Cc2ccc(C(=O)NC3(CO)CC3)cc2)CC1	160283194	HSDPEGWSDHRMCV-UHFFFAOYSA-N	303.406	0.689	70	10	DCIE	
COCc1cc(C(=O)NC[C@H]2C[C@@H]2C)cc(S(N)(=O)=O)c1	160334433	FZZOGDWAOUEURF-JOYOIKCWSA-N	312.391	0.866	70	10	DCIE	
C[C@@H]1CCC[C@H]1CS(=O)(=O)NCCS(=O)(=O)Cl	1944911074	CNMICBYTRUITHS-BDAKNGLRSA-N	303.833	0.911	70	10	DCIE	
O=C(N1CC(S(=O)(=O)F)C1)C(F)(F)C1CCOCC1	1968215851	NOIOGJALDXQMEU-UHFFFAOYSA-N	301.286	0.558	70	10	DCIE	
C[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)Cl)cn2C)CO1	401457236	ICDVNDMHDIWLPM-JGVFFNPUSA-N	306.771	0.860	70	10	DCIE	
CCO[C@]1(c2nnc(S(=O)(=O)Cl)n2CC)CCOC1	402043032	JRTLAEMPIXXUMP-SNVBAGLBSA-N	309.775	0.878	70	10	DCIE	
CCN(c1ncnc(C)c1[B-](F)(F)F)[C@H]1CCS(=O)(=O)C1	2172768985	QQWDIQJLFWFASK-VIFPVBQESA-N	322.141	0.853	70	10	DCIE	
COC[C@@H]1CC[C@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C1	2181786191	GOXUVDSPTBASIW-KOLCDFICSA-N	308.375	0.311	70	10	DCIE	
C[C@H](CCCN1CC[C@@H](S(C)(=O)=O)C1)S(=O)(=O)Cl	2059345521	YBYYPNNVZCREJH-NXEZZACHSA-N	317.860	0.843	70	10	DCIE	
Cc1ncc([B-](F)(F)F)cc1O[C@@H]1CCN(S(C)(=O)=O)C1	2280027936	SFMQXRWCCGYAFP-SNVBAGLBSA-N	323.125	0.857	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@@H]2CCN(C)C2)c1S(=O)(=O)Cl	1893429778	BERKLFLZDILJTQ-SSDOTTSWSA-N	307.759	0.507	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H]1CNCCF	1277940253	GKEZTFNYZPSQJI-VIFPVBQESA-N	321.349	0.837	70	10	DCIE	
CCn1ncc(Br)c1[C@@H](NN)[C@H]1COCCO1	161391477	XESHKGJORDWZLP-BDAKNGLRSA-N	305.176	0.585	70	10	DCIE	
Cn1c(-c2ccc([N+](=O)[O-])cn2)nnc1S(=O)(=O)Cl	2278222568	NPTLLXJFJRHNIE-UHFFFAOYSA-N	303.687	0.713	70	10	DCIE	
O=C1CC[C@H](OC(=O)c2ccc(S(=O)(=O)F)cc2)C(=O)N1	838091814	BYFRUMUCMZPZPK-VIFPVBQESA-N	315.278	0.307	70	10	DCIE	
CS(=O)(=O)CC1CN(c2ncc([B-](F)(F)F)cc2F)C1	2116153656	OOTNUBCATSQPNN-UHFFFAOYSA-N	311.089	0.756	70	10	DCIE	
CCN1CCC[C@@H]1CNS(=O)(=O)c1c[nH]c(CNC)c1	217516380	ULALTSBHPGNRRY-GFCCVEGCSA-N	300.428	0.497	70	10	DCIE	
CNC(=O)Cn1cc(NC(=O)NCC2(CCOC)CC2)cn1	161136458	BTTZJUIIVAKZFF-UHFFFAOYSA-N	309.370	0.567	70	10	DCIE	
CCOC(=O)C[C@H](C)NC(=O)CN(C)Cc1nnc(C)n1C	160162848	VEHXOIRCJUJYND-JTQLQIEISA-N	311.386	0.013	70	10	DCIE	
CN(C)C(=O)NCCNC(=O)Cc1ccc(C(N)=S)cc1	160879437	JMOLKEYTEHYFRS-UHFFFAOYSA-N	308.407	0.251	70	10	DCIE	
CCc1c(C(=O)N(C)CC(=O)N(CC)CC)[nH]c(C)c1C(N)=O	159856586	FKELCXMSUXFQMP-UHFFFAOYSA-N	322.409	0.925	70	10	DCIE	
O=S(=O)(Cl)CCCN1C[C@H]2CCS(=O)(=O)[C@H]2C1	1941408607	IJIVVLNSLHNCKN-BDAKNGLRSA-N	301.817	0.064	70	10	DCIE	
COc1ccccc1S(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2144734334	ZPUBXYNUYXQISF-VIFPVBQESA-N	323.367	0.758	70	10	DCIE	
CP(C)(=O)CCC(=O)N1CCN(S(=O)(=O)F)CC1	1974015275	RUKHYUUHVLXAFK-UHFFFAOYSA-N	300.292	0.358	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccc(F)c(O)c1	1974057998	BMAABNGLWZLAFA-UHFFFAOYSA-N	306.290	0.407	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1CC2(CCOC2)C1	1974054688	HDMBZMRTAIKOBJ-UHFFFAOYSA-N	306.359	0.065	70	10	DCIE	
Cc1c(N)cccc1S(=O)(=O)NCCNC(=O)N(C)C	160693172	ZQGZJQOFKLTWFG-UHFFFAOYSA-N	300.384	0.127	70	10	DCIE	
COC[C@@H]1CN(c2ncncc2[B-](F)(F)F)C[C@H]1COC	2172772923	UJYNWIHZBCELCT-UWVGGRQHSA-N	304.101	0.876	70	10	DCIE	
CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccncc1[B-](F)(F)F	2172782626	UTIUNCXSRZIPIY-WDEREUQCSA-N	323.125	0.384	70	10	DCIE	
Cc1cnc(N2CC(N(C)C3COC3)C2)c([B-](F)(F)F)c1	2173111385	INICRHVCCSBVJJ-UHFFFAOYSA-N	300.113	0.964	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC(=O)N1CCCC1	2182344515	UKITYBGGQSAZOZ-UHFFFAOYSA-N	321.786	0.579	70	10	DCIE	
C[C@@H]1OC2(Cn3cc(S(=O)(=O)Cl)c(O)nc3=O)CC1C2	2188933683	KWQFMYDDMMBMFG-XOQGZYLQSA-N	320.754	0.444	70	10	DCIE	
CC1(C)OCCO[C@H]1C(=O)N1CC(CCS(=O)(=O)F)C1	2199688103	KPRLBDZTNPBDQU-JTQLQIEISA-N	309.359	0.328	70	10	DCIE	
CN(C[C@H]1C[C@H](S(C)(=O)=O)C1)c1ncc([B-](F)(F)F)cn1	2285299055	MPLUCOABDBIWFY-CZMCAQCFSA-N	322.141	0.790	70	10	DCIE	
O=[N+]([O-])c1cccnc1S(=O)(=O)CCS(=O)(=O)Cl	112084098	XGJDNSJFLJPPAH-UHFFFAOYSA-N	314.728	0.332	70	10	DCIE	
COc1ccc(C(=O)NC[C@H](O)Cn2ccccc2=O)cc1F	218447479	NRXIAXYBYXWJOB-LBPRGKRZSA-N	320.320	0.787	70	10	DCIE	
O=C([C@@H]1C[C@H]2C=C[C@H]1CC2)N1CCN(S(=O)(=O)F)CC1	2163668118	TWEIACXIMGHAOU-SDDRHHMPSA-N	302.371	0.947	70	10	DCIE	
O=C(N[C@@H]1CCOC[C@H]1F)c1cc(S(=O)(=O)Cl)c[nH]1	2130186715	GCFSXCXJMXPCFF-HTQZYQBOSA-N	310.734	0.799	70	10	DCIE	
CNCc1c(C)oc(C)c1S(=O)(=O)NCCCN(C)C	217468660	RXCHGRMZWTWWQN-UHFFFAOYSA-N	303.428	0.846	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)C1CC(C(F)F)C1	1912672813	RUTOOUOWTWDLFN-UHFFFAOYSA-N	311.759	0.518	70	10	DCIE	
Cc1c(C#N)c(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)nn1C	1611161921	QIAFEAHGXRUHGD-UHFFFAOYSA-N	311.298	0.839	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cncc(Cl)c2)[nH]1	1923143464	HDAYFPYMJIFKOI-UHFFFAOYSA-N	318.717	0.801	70	10	DCIE	
CC1(C)COC(=O)[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1634948877	WBRYSYGLNGSNCQ-QMMMGPOBSA-N	304.299	0.354	70	10	DCIE	
CCCn1c(=O)[nH]c(=O)c2nc(C(C)(C)S(C)(=O)=O)[nH]c21	159771269	TUFKENTURCFVEB-UHFFFAOYSA-N	314.367	0.103	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2CCO[C@H]2C)c1S(=O)(=O)Cl	157052710	QXOKFCVVWBTXRQ-XPUUQOCRSA-N	321.786	0.807	70	10	DCIE	
O=C(O)c1cc(S(=O)(=O)Cl)ccc1O[C@@H]1CCNC1=O	691638641	VTZBZGNVXBMDEL-SECBINFHSA-N	319.722	0.580	70	10	DCIE	
C[C@H]1CC[C@H](S(C)(=O)=O)CN1c1ncc([B-](F)(F)F)cn1	2279396182	XCACFHCMKLPZLC-WPRPVWTQSA-N	322.141	0.933	70	10	DCIE	
O=S1(=O)C[C@H]2CN(c3ncc([B-](F)(F)F)cc3F)C[C@H]21	2336397378	LQRDOEHESRAJRR-HZGVNTEJSA-N	309.073	0.508	70	10	DCIE	
CCOc1ccc(OCNC(=O)N2CCN(CCO)CC2)cc1	217307486	HKIWZLOWHWHYKZ-UHFFFAOYSA-N	323.393	0.741	70	10	DCIE	
O=C([C@H]1OC[C@@H]2CCCC[C@H]12)N1CC(CS(=O)(=O)F)C1	2358468165	NNIGORPJFOOWLW-SRVKXCTJSA-N	305.371	0.949	70	10	DCIE	
COc1ccc([C@@H](O)CNC(=O)C(=O)NC(C)C)cc1OC	217378245	GMKULALCYAXJRR-NSHDSACASA-N	310.350	0.378	70	10	DCIE	
O=C(N[C@H]1COCC1(F)F)c1cc(S(=O)(=O)Cl)c[nH]1	2131124927	CWFOKARLIGOVPZ-ZETCQYMHSA-N	314.697	0.706	70	10	DCIE	
C[C@@H](CC(N)=O)NC(=O)c1ccc(S(=O)(=O)F)cc1Cl	1436282388	UCWCRJBGKMYBES-LURJTMIESA-N	322.745	0.992	70	10	DCIE	
CC(C)(C)n1[nH]cnc1=NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1584146902	RORQCVNKQWDKAU-UHFFFAOYSA-N	315.330	0.694	70	10	DCIE	
CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCCS(C)(=O)=O	160291439	NEALAPLKMWDALP-GYSYKLTISA-N	318.439	0.070	70	10	DCIE	
COCCC[C@@H](N)C(=O)NCc1ccc(S(C)(=O)=O)cc1	159457290	CASDXVXYYXPLAF-CYBMUJFWSA-N	314.407	0.460	70	10	DCIE	
CC(=O)N[C@@H](CC(C)C)C(=O)N1CC(CS(=O)(=O)F)C1	1968227726	RABXBFGLRJZGRN-NSHDSACASA-N	308.375	0.295	70	10	DCIE	
CCO[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2287066287	APOMHXKQELQATJ-GMTAPVOTSA-N	308.375	0.596	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@H]1C(F)(F)F	2334651231	ICNPTOWGJHEDQN-RRKCRQDMSA-N	304.265	0.590	70	10	DCIE	
COc1ccc(CC(=O)NC[C@@H](O)Cn2ccccc2=O)cc1	218416920	FSGHOEIBSCTMNH-CQSZACIVSA-N	316.357	0.577	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)[C@H]1CCS(=O)(=O)C1	689057532	XMPCIHBPSFVHDW-VIFPVBQESA-N	303.833	0.454	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC1[C@H]2COC[C@H]12	2118018150	WXDUZDIYAFNZAZ-YUMQZZPRSA-N	304.755	0.327	70	10	DCIE	
CC(C)C[C@H](C)OC[C@@H](O)CN[C@@]1(C)CCS(=O)(=O)C1	218520540	WVWXKCPYGKFRFG-IHRRRGAJSA-N	307.456	0.965	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2CCC(F)(F)C2)[nH]1	1923176809	DQZKBJUMIQUULK-LURJTMIESA-N	311.285	0.874	70	10	DCIE	
CCOc1nc(C(=O)N2CCC(S(=O)(=O)F)CC2)co1	1968216582	BSPYMMZZNFSNKY-UHFFFAOYSA-N	306.315	0.977	70	10	DCIE	
CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](S(=O)(=O)F)C2)C1	1968234352	AVEBXNDTQYXXCR-WDEREUQCSA-N	306.359	0.145	70	10	DCIE	
CNc1cc(S(=O)(=O)NC[C@@]2(OC)CCOC2)ccn1	161203108	YYWFIIKRJOJYMB-LBPRGKRZSA-N	301.368	0.207	70	10	DCIE	
CCOC(=O)c1cccc(N)c1N(C)CCS(C)(=O)=O	161224898	SSMWZHGKISBHRA-UHFFFAOYSA-N	300.380	0.926	70	10	DCIE	
CO[C@@H]1CN(c2ncnc(C)c2[B-](F)(F)F)[C@@H]2COC[C@@H]12	2172766588	IRZBMBFRLVESPH-OPRDCNLKSA-N	302.085	0.689	70	10	DCIE	
Cc1ncnc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)c1[B-](F)(F)F	2172764320	BBYRDNWIYJDWKG-DTORHVGOSA-N	320.125	0.320	70	10	DCIE	
Cn1c([C@@H]2CCn3nccc3C2)nnc1S(=O)(=O)Cl	2108980768	YVZYPDSERDRZPN-SSDOTTSWSA-N	301.759	0.669	70	10	DCIE	
C=C(F)CS(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2222324585	UFVBAKVWRBTPRZ-UHFFFAOYSA-N	304.340	0.068	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCO2)c1S(=O)(=O)Cl	2341217119	VFJPVNPVAHWICE-ZETCQYMHSA-N	307.759	0.507	70	10	DCIE	
CCS(=O)(=O)CCn1ncc(C#N)c1S(=O)(=O)Cl	112157253	SXXZPQBHMHVMAO-UHFFFAOYSA-N	311.772	0.117	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CCCS(C)(=O)=O	112141229	CUDVDTZVDMUBQR-UHFFFAOYSA-N	300.789	0.554	70	10	DCIE	
CO[C@@H]1CC(c2nnc(S(=O)(=O)Cl)n2C)C[C@H]1OC	2118264133	ODNXUSQWIHJCQU-HTQZYQBOSA-N	309.775	0.650	70	10	DCIE	
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(C)(O)CC1	161255547	PCXRYQPZKOLUPO-GFCCVEGCSA-N	318.439	0.564	70	10	DCIE	
Cc1cc(N)c(C)c(S(=O)(=O)NCCNC(=O)N(C)C)c1	160695762	ICOAIFSKCOJWLG-UHFFFAOYSA-N	314.411	0.435	70	10	DCIE	
O=C(COc1ccccc1O)N1CC[C@H](S(=O)(=O)F)C1	2144732299	DKNJGEYSXVVUDF-VIFPVBQESA-N	303.311	0.671	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)[C@@H]2CCO[C@@H]2C)c1S(=O)(=O)Cl	161837894	PJLMUISOWILBQC-HTQZYQBOSA-N	321.786	0.895	70	10	DCIE	
C[C@H]1COCCN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	166143780	IZSPEAZDOPFNIC-VIFPVBQESA-N	323.367	0.754	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@@H]1[C@H]2CCO[C@@H]12	2176432117	LEWVTQLYBZCHGP-FXPVBKGRSA-N	318.782	0.717	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCOC[C@H]1[C@@H]1CCOC1	2172772528	OYBBXLKIJKPLPM-KOLCDFICSA-N	302.085	0.773	70	10	DCIE	
C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1c1ncc([B-](F)(F)F)cn1	2279396179	XCACFHCMKLPZLC-PSASIEDQSA-N	322.141	0.933	70	10	DCIE	
CCc1nn(C)cc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287074620	HOJZNISRBKUEFC-QMMMGPOBSA-N	304.347	0.001	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cc(C2CC2)on1	2287076872	BNFLXDOIXWUVET-MRVPVSSYSA-N	303.315	0.570	70	10	DCIE	
Cc1[nH]nc(C(=O)N2C[C@H](F)[C@@H](F)C2)c1S(=O)(=O)Cl	714535802	CTEPRTNOTMYCDW-WDSKDSINSA-N	313.713	0.778	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CC1(F)COCCOC1	2130666950	KMTFJUGGCRBDJA-UHFFFAOYSA-N	312.750	0.874	70	10	DCIE	
CCC(=O)N(C)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1577385995	XZNGOHJJDHMHEU-UHFFFAOYSA-N	319.358	0.661	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O	160625171	IALJQCCPKBYULQ-LLVKDONJSA-N	322.365	0.609	70	10	DCIE	
CN1CCO[C@H](CNC(=O)Nc2ccn(CC(F)(F)F)n2)C1	160727571	MEJROMQXWABJFY-SECBINFHSA-N	321.303	0.898	70	10	DCIE	
C[C@@]1(NC(=O)c2ccc3c(c2)CNCC3)CCS(=O)(=O)C1	160752726	QVKYFIYDXUUSJZ-OAHLLOKOSA-N	308.403	0.639	70	10	DCIE	
CN(C)C(=O)NCCNC[C@@H](O)COc1cccc(Cl)c1	160926305	FUZAXGKDRJMJOC-GFCCVEGCSA-N	315.801	0.941	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1Cc1ccc(C(N)=S)cc1	159814656	RLESQELSGPJWPS-ZDUSSCGKSA-N	307.419	0.658	70	10	DCIE	
Cn1cnc2sc(C(=O)N3CC(S(=O)(=O)F)C3)cc21	1972982336	YTDDWTCAHJKAEI-UHFFFAOYSA-N	303.340	0.759	70	10	DCIE	
CC(C)n1ccc(C(=O)N2CCN(S(=O)(=O)F)CC2)n1	1974001133	NTZYNYSJMSREMJ-UHFFFAOYSA-N	304.347	0.436	70	10	DCIE	
Cn1nc(C(=O)NC2CCN(S(=O)(=O)F)CC2)cc1Cl	1974394872	QVMIOMKKVGUERU-UHFFFAOYSA-N	324.765	0.482	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NC[C@@H]2CCC(=O)N2)c1F	159530775	OVSITSFOVDSBII-VIFPVBQESA-N	301.343	0.273	70	10	DCIE	
O=C(C[C@@H]1CN2CCC1CC2)N1CC(CS(=O)(=O)F)C1	2199682591	MAHUPTQZXHYMRX-GFCCVEGCSA-N	304.387	0.476	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1	2094585081	SQHZNWSXBRULBX-ZNSHCXBVSA-N	311.400	0.878	70	10	DCIE	
Cc1coc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1	2271504215	ARLRBNLMCJYVBI-QMMMGPOBSA-N	312.344	0.155	70	10	DCIE	
CC(C)[C@@H]1CC[C@H](O)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217973602	DAVRTQUTAMZSPG-KFWWJZLASA-N	318.483	0.997	70	10	DCIE	
COc1ccccc1/C=C/NC(=O)NCCN1CCNCC1	217718352	YRFVJHKQTJYAGM-VOTSOKGWSA-N	304.394	0.870	70	10	DCIE	
C[C@@H](C(=O)N1CC(S(=O)(=O)F)C1)N(C)C(=O)OC(C)(C)C	1897480832	GJHAFFRUKGSRKA-QMMMGPOBSA-N	324.374	0.752	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCc1cn(C)nn1	2182344616	RKIMUYZNGOJFHM-UHFFFAOYSA-N	319.774	0.328	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cn1)[C@H]1CS(=O)(=O)C1(C)C	2116142344	LPGDMIBRDHGIBZ-QMMMGPOBSA-N	308.114	0.543	70	10	DCIE	
CCCn1c([C@]2(C)COCCO2)nnc1S(=O)(=O)Cl	1908586937	FNGQGQBUAKZBQK-JTQLQIEISA-N	309.775	0.878	70	10	DCIE	
CCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1571747269	QKPGHZUAWLNONC-YUMQZZPRSA-N	319.358	0.706	70	10	DCIE	
COc1cc(C(=O)Nc2ncn(C)n2)ccc1S(=O)(=O)F	1583970260	QJRLZNULRKGUSO-UHFFFAOYSA-N	314.298	0.734	70	10	DCIE	
NS(=O)(=O)CCNC(=O)CCCc1cc(F)ccc1F	161214904	YUOFLICRSWNWGS-UHFFFAOYSA-N	306.334	0.692	70	10	DCIE	
COCc1cc(C(=O)NC[C@@H]2C[C@H]2C)cc(S(N)(=O)=O)c1	160334554	FZZOGDWAOUEURF-SKDRFNHKSA-N	312.391	0.866	70	10	DCIE	
CS(=O)(=O)N1CCC[C@@H](CN2CCC(OCCO)CC2)C1	160437156	BZOHWMKSNAPODT-ZDUSSCGKSA-N	320.455	0.131	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccc(O)c(Cl)c1	1974058675	GXFXHXFJPKJAFD-UHFFFAOYSA-N	322.745	0.922	70	10	DCIE	
O=C([C@@H]1CC[C@H]2[C@@H]1C2(F)F)N1CCN(S(=O)(=O)F)CC1	1974014141	FNUADODDFSPWQD-HRDYMLBCSA-N	312.313	0.636	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)C1C2(CC2)C12CC2	1974395190	XBDPFTQCUKEORP-UHFFFAOYSA-N	302.371	0.972	70	10	DCIE	
C[C@@]1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CCCOC1	1974395245	XTTNODFZTJWWLU-GFCCVEGCSA-N	308.375	0.598	70	10	DCIE	
COC[C@@H](O)CN(C)S(=O)(=O)c1cc(N)cc(C)c1F	159502588	ADNATPROKLDPJG-JTQLQIEISA-N	306.359	0.344	70	10	DCIE	
CC[C@H](C(=O)N1CCOC[C@H]1C(=O)NC(C)C)C(N)=S	159784537	RRYKJWVFEIAXHB-UWVGGRQHSA-N	301.412	0.051	70	10	DCIE	
C[C@H](CO)[C@@H](C)NC(=O)Cc1csc(NS(C)(=O)=O)n1	160350154	YVMANTVLKWNKBC-HTQZYQBOSA-N	321.424	0.190	70	10	DCIE	
Cc1cc(C(=O)NCC2CN(S(=O)(=O)F)C2)nc(Cl)n1	2164436816	LHWOHQQKAXUGRH-UHFFFAOYSA-N	322.749	0.314	70	10	DCIE	
CCn1nnnc1CN(C)c1nc(C)ncc1[B-](F)(F)F	2196303980	MGVIOOWWGWRYHI-UHFFFAOYSA-N	300.077	0.482	70	10	DCIE	
CO[C@@H]1CN(CCCS(=O)(=O)Cl)[C@@H](CF)[C@H]1OC	2318393012	MZOOGFIBOGHAPU-IVZWLZJFSA-N	303.783	0.629	70	10	DCIE	
CC(C)(C)OC(=O)N=c1nc(CCS(=O)(=O)Cl)[nH][nH]1	1953064948	UOUHADBUGLTTSO-UHFFFAOYSA-N	310.763	0.685	70	10	DCIE	
C[C@H]1CN(c2nc[nH]c(=O)c2I)CCN1	159605954	NTSWZUTVJLIHFT-LURJTMIESA-N	320.134	0.173	70	10	DCIE	
O=C1C[C@H](Nc2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)CN1	1307083571	PPIWFYNXJUAEFJ-QMMMGPOBSA-N	317.298	0.695	70	10	DCIE	
Cc1nc(N2CC[C@@H](S(C)(=O)=O)C2)ncc1[B-](F)(F)F	2123305978	OKSMHXKNBVVFPM-MRVPVSSYSA-N	308.114	0.463	70	10	DCIE	
C#CCN[C@@H](C)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1571406288	YNAJPVKXBPIUBD-VIFPVBQESA-N	301.343	0.356	70	10	DCIE	
CC1(C)CN(C(=O)Cc2cn3ccccc3n2)CCS1(=O)=O	160045114	VQUWNEQPFVHSSJ-UHFFFAOYSA-N	321.402	0.912	70	10	DCIE	
C[C@H](NC(=O)CN(C)C(N)=O)c1cn(-c2ccccc2)nn1	160057101	JQKBENLAFIVWKC-JTQLQIEISA-N	302.338	0.455	70	10	DCIE	
CN(C)C(=O)NCCNS(=O)(=O)c1cc(N)cc(F)c1F	160692082	IXPVPQSKSBRSBG-UHFFFAOYSA-N	322.337	0.097	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)[C@H](N)c1cccs1	159619341	YRNNAVSQLKZNBF-ZYHUDNBSSA-N	311.407	0.502	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1c1cc(C(N)=S)ccn1	159811121	JRKRPXFRLGMDIP-LLVKDONJSA-N	308.407	0.446	70	10	DCIE	
O=C(NC1CC1)[C@H]1COCCN1c1nc(Cl)c(CO)s1	160098282	KOCMZONIDOIFDG-MRVPVSSYSA-N	317.798	0.773	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N[C@@H]2CCCOC2)cc1	163322139	KGFZSGXLYMCNSL-SECBINFHSA-N	323.367	0.802	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2CC[C@H](C)O2)c1S(=O)(=O)Cl	398167635	NCMQFQSVRVCEHQ-POYBYMJQSA-N	321.786	0.943	70	10	DCIE	
NC(=O)NC(=O)COc1ccc(S(=O)(=O)F)c(F)c1F	2191430519	KKOMXOZAEAISIL-UHFFFAOYSA-N	312.225	0.197	70	10	DCIE	
CS(=O)(=O)N1CCC[C@@H](Oc2ncccc2[B-](F)(F)F)C1	2285596079	XBEWXDSMGGKJPZ-SECBINFHSA-N	323.125	0.939	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1c(F)cncc1F	2287078917	JUPCUFDGOMHFIP-ZCFIWIBFSA-N	309.269	0.378	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccc(CO)cc1	2287078646	IWVILLRQJOPUDR-LLVKDONJSA-N	302.327	0.197	70	10	DCIE	
CN(C[C@@H]1CCS(=O)(=O)C1)c1ncc([B-](F)(F)F)cn1	2116136992	RGHMNKVYFYGMMA-QMMMGPOBSA-N	308.114	0.402	70	10	DCIE	
CS(=O)(=O)c1ccc(OC(=O)NS(=O)(=O)Cl)cc1	161840391	YJWOVWSDRWTCON-UHFFFAOYSA-N	313.740	0.662	70	10	DCIE	
Cc1c(N)cccc1S(=O)(=O)N(C)CC1(O)CCOCC1	161024047	VFIIWOCJTZABRF-UHFFFAOYSA-N	314.407	0.739	70	10	DCIE	
COC(=O)CCN(CC(F)(F)F)C(=O)COC1(C)CNC1	161123230	XXPJHKFKBBJTGG-UHFFFAOYSA-N	312.288	0.319	70	10	DCIE	
Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CCN(c2ccccn2)C1	161437158	XOCKBGOSKAZMCZ-LBPRGKRZSA-N	313.361	0.528	70	10	DCIE	
C[C@]1(C(=O)Nc2cc(S(C)(=O)=O)ccc2O)COC[C@@H]1N	160318548	PZVBYHYKNYSRAW-AAEUAGOBSA-N	314.363	0.098	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCC(N(C)C)CC2)cc1N	159578090	MBDWEVDETRPGKL-UHFFFAOYSA-N	312.439	0.707	70	10	DCIE	
Cc1cccc(CC(=O)NCC2CN(S(=O)(=O)F)C2)c1	1974059354	LHRBKUOAYMDPGF-UHFFFAOYSA-N	300.355	0.800	70	10	DCIE	
CCOCCS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2028132178	YIOKDRHMAKQPQU-SECBINFHSA-N	303.377	0.116	70	10	DCIE	
Cc1cc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)ncc1[B-](F)(F)F	2172773904	IEBYCVARZMLJKU-AOOOYVTPSA-N	319.137	0.925	70	10	DCIE	
CN1CCC[C@H](CC(=O)N2CC(CCS(=O)(=O)F)C2)C1	2199684352	NDQUPMWMLUOEPV-LLVKDONJSA-N	306.403	0.866	70	10	DCIE	
Cc1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c(C)n1	2287071072	HJVAFJSQQAIWAF-SNVBAGLBSA-N	301.343	0.717	70	10	DCIE	
COCCn1c([C@@]2(C)CCCO2)nnc1S(=O)(=O)Cl	133333575	PAILQTHPORUQLM-SNVBAGLBSA-N	309.775	0.878	70	10	DCIE	
COc1ccc(/C=C/NC(=O)N2CCN(CCN)CC2)cc1	218152415	YZPTUSVBKRIICS-SOFGYWHQSA-N	304.394	0.952	70	10	DCIE	
COCCn1c(-c2cccc(=O)[nH]2)nnc1S(=O)(=O)Cl	234674460	CNESVCBTZNYEBA-UHFFFAOYSA-N	318.742	0.207	70	10	DCIE	
CC[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC[C@@H](C)O	1269470990	DAKXUSAETCDGQK-RKDXNWHRSA-N	321.374	0.152	70	10	DCIE	
O=C(Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1)NCC1CC1	215906330	YHWIKIDPDHYVAK-UHFFFAOYSA-N	322.730	0.245	70	10	DCIE	
CCN(C(=O)c1cc(S(=O)(=O)Cl)cn1C)C1COC1	1915636512	IQUAVUCJWLGATR-UHFFFAOYSA-N	306.771	0.814	70	10	DCIE	
O=C(N[C@@H]1[C@H]2C[C@@H]3CO[C@@H]1[C@H]3C2)c1cc(S(=O)(=O)F)c[nH]1	1350017216	XHWYONKXYWFSHE-IOISZPOISA-N	314.338	0.826	70	10	DCIE	
C[C@@H]1NCC[C@H]1NC(F)(F)COS(=O)(=O)C(F)(F)F	1923922034	SOLDLXYYLSJFGX-NTSWFWBYSA-N	312.260	0.785	70	10	DCIE	
CC(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(C)C	1582930062	XBNMQOWINLZANF-NSHDSACASA-N	319.358	0.563	70	10	DCIE	
Cc1ccc(S(=O)(=O)N(C)CC2(O)CCOCC2)cc1N	161004201	NTBAQQVIIDUPDN-UHFFFAOYSA-N	314.407	0.739	70	10	DCIE	
CCCOc1nc(Cl)nc(N2CCOC[C@@H]2C(=O)NC)n1	160268310	XBODIXIHDQKJPO-MRVPVSSYSA-N	315.761	0.265	70	10	DCIE	
O=C(NCCN1CCS(=O)(=O)CC1)C1CCC(F)(F)CC1	159897186	WUROVBWHIXUZDY-UHFFFAOYSA-N	324.393	0.659	70	10	DCIE	
Cn1nnc(COc2ccc(S(=O)(=O)Cl)c(F)c2F)n1	236107830	OSVNMCGNLGKVMO-UHFFFAOYSA-N	324.696	0.995	70	10	DCIE	
O=C(COc1ccccc1O)N1CC[C@@H](S(=O)(=O)F)C1	2144732298	DKNJGEYSXVVUDF-SECBINFHSA-N	303.311	0.671	70	10	DCIE	
O=C([C@@H]1CC12CCOCC2)N1CCN(S(=O)(=O)F)CC1	1974014262	GUUOSVZAVXWIIL-JTQLQIEISA-N	306.359	0.162	70	10	DCIE	
O=C(C1CC2(CCCO2)C1)N1CCN(S(=O)(=O)F)CC1	1974015494	USJNCGBAIIJIDB-UHFFFAOYSA-N	306.359	0.304	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1C[C@]12CCOC2	1974394845	QHYJSVGRKTWJBT-PWSUYJOCSA-N	306.359	0.208	70	10	DCIE	
O=C1NCCN(c2ccc(CS(=O)(=O)Cl)cc2)C1=O	258949279	WSAKFVLYXLNEMT-UHFFFAOYSA-N	302.739	0.218	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1c1nc(Cl)c(C(=O)OC)s1	160264772	KNHWJTIQJONKMP-LURJTMIESA-N	319.770	0.534	70	10	DCIE	
CO[C@@H]1CN(c2ncnc(C)c2[B-](F)(F)F)[C@H]2COC[C@@H]12	2172766586	IRZBMBFRLVESPH-KXUCPTDWSA-N	302.085	0.689	70	10	DCIE	
COC1CC(CC(=O)NC2CCN(S(=O)(=O)F)CC2)C1	2169023183	IUNFCPFRSRWKAC-UHFFFAOYSA-N	308.375	0.596	70	10	DCIE	
C[C@@H]1C[C@H]1CS(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2112723935	BRCORFMQXMLOJY-BDAKNGLRSA-N	314.404	0.241	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)Cc2ncnn2C)n1	2280630066	FKNKPIJQHOHZPZ-UHFFFAOYSA-N	300.073	0.910	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H](O)c1ccccc1	2287069656	NEWKZCAKZWJUHF-MNOVXSKESA-N	302.327	0.125	70	10	DCIE	
CC(C)Cn1c(-c2cn(C)nn2)nnc1S(=O)(=O)Cl	302675208	NCLQDXALYASIRA-UHFFFAOYSA-N	304.763	0.657	70	10	DCIE	
O=C1CC[C@@H](OC(=O)c2ccc(S(=O)(=O)F)cc2)C(=O)N1	838091808	BYFRUMUCMZPZPK-SECBINFHSA-N	315.278	0.307	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@H]2CCOC2)c1S(=O)(=O)Cl	115802113	BEDSUPZDHDIYJQ-SSDOTTSWSA-N	321.786	0.666	70	10	DCIE	
Cc1cc(C[C@H](C)NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)n[nH]1	161182609	SORNLPFDAJZMOT-ONGXEEELSA-N	316.365	0.542	70	10	DCIE	
CNC(=O)[C@H]1COCCN1c1c(F)cc(C(N)=S)cc1F	159802687	GGQYNTCYCOPMIL-SNVBAGLBSA-N	315.345	0.550	70	10	DCIE	
Cn1cnc2cc(C(=O)NC[C@@H]3CN(C4CC4)CCO3)cnc21	159849649	YETSEVLNAFJSSC-CYBMUJFWSA-N	315.377	0.561	70	10	DCIE	
COc1ccc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)c(O)c1	2144732609	HPBCDLMVSVGEMB-VIFPVBQESA-N	303.311	0.915	70	10	DCIE	
C[C@@H](Oc1cc(F)c(S(=O)(=O)F)cc1[N+](=O)[O-])C(N)=O	2191424324	QTNMDASWMRMNQG-SCSAIBSYSA-N	310.234	0.645	70	10	DCIE	
CCn1cc([N+](=O)[O-])cc1C(=O)N1CC(S(=O)(=O)F)C1	2199682039	CDUJMKHPMLTQQO-UHFFFAOYSA-N	305.287	0.540	70	10	DCIE	
CO[C@@H]1CC[C@H]1CS(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2230962905	YLKAEWRCSSISSU-LPEHRKFASA-N	315.388	0.115	70	10	DCIE	
O=C(CCc1ccccn1)N[C@H]1CCN(S(=O)(=O)F)C1	2287071934	WFYGATVLWIXXHW-NSHDSACASA-N	301.343	0.419	70	10	DCIE	
C[C@H](C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCCCO1	2287063083	MRWXOWXLYIVSFR-GARJFASQSA-N	308.375	0.596	70	10	DCIE	
C[C@]1([B-](F)(F)F)CCN(S(=O)(=O)N2CC[C@H](O)C2)C1	2319747236	DTRMATWJSVRAJY-IUCAKERBSA-N	301.119	0.611	70	10	DCIE	
C[C@@H](Oc1ccccc1)C(=O)NC[C@@H](O)Cn1ccccc1=O	218414931	SRQTZHOHCVHUIB-ZIAGYGMSSA-N	316.357	0.793	70	10	DCIE	
CC(C)(CO)NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	217287612	UKCYWIUMJDPBLJ-CYBMUJFWSA-N	305.378	0.858	70	10	DCIE	
C[C@H](Oc1ccc(F)cc1S(=O)(=O)Cl)C(=O)NC(N)=O	215675682	YDKSKMJGLKSTSQ-YFKPBYRVSA-N	324.717	0.715	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@H]2C[C@H]1CO2	2164431749	RDGOXYKBZILSCP-GARJFASQSA-N	306.359	0.064	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)Cc2ccc(F)cc2)C1	2134974652	INIUFUBIRDQEHN-UHFFFAOYSA-N	311.331	0.639	70	10	DCIE	
C[C@@H]1O[C@H](C)C[C@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923156451	LBNWLAOVEKXHHE-GJMOJQLCSA-N	305.331	0.252	70	10	DCIE	
CNCc1c(N2CCOC[C@@H]2C(=O)NC)nc2sccn12	160154819	PZHRLOYZCNLJOS-SNVBAGLBSA-N	309.395	0.066	70	10	DCIE	
CS(=O)(=O)CC1CC(Oc2ncncc2[B-](F)(F)F)C1	2142478593	GFUDOIAITHUHOW-UHFFFAOYSA-N	309.098	0.733	70	10	DCIE	
CO[C@H](C(=O)N1CCC(S(=O)(=O)F)CC1)[C@H]1CCOC1	2150277177	AEKFSWVTHCFSIT-ONGXEEELSA-N	309.359	0.328	70	10	DCIE	
O=S1(=O)CCN[C@@H](Cc2nc([C@H]3CCCS3)no2)C1	160599960	KLUDLLIWHQXIKO-DTWKUNHWSA-N	303.409	0.567	70	10	DCIE	
Cn1nnc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2F)n1	700406947	FCQQXMGRSKQKLA-UHFFFAOYSA-N	319.705	0.529	70	10	DCIE	
C[C@H]1CN(CCn2cnc(S(=O)(=O)Cl)c2)C[C@H](C)O1	313795828	KSFGDUVFNOYKLX-UWVGGRQHSA-N	307.803	0.920	70	10	DCIE	
COc1nc(N(C)[C@H]2CN3CC[C@H]2C3)ncc1[B-](F)(F)F	2172758643	SVHOZUQJBFSFHC-WPRPVWTQSA-N	301.101	0.680	70	10	DCIE	
CC1(C)OCCO[C@@H]1C(=O)N1CCC(S(=O)(=O)F)CC1	2186786284	HOHOQRLZDHMDJA-SNVBAGLBSA-N	309.359	0.471	70	10	DCIE	
CC[C@]1(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CC1(F)F	2271498694	TZJGMEQYEOHCGR-IONNQARKSA-N	300.302	0.827	70	10	DCIE	
Cc1nc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)ccc1[B-](F)(F)F	2336521410	XQKVNWRQTNPZCJ-WCBMZHEXSA-N	305.110	0.678	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3COCC[C@H]32)c1S(=O)(=O)Cl	2355951038	BALVXLMKFNVMDW-CSMHCCOUSA-N	319.770	0.410	70	10	DCIE	
CS(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1	100613141	KAGIVCDITDPKTO-UHFFFAOYSA-N	303.814	0.767	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@@H]2C[C@H]2F)c1S(=O)(=O)Cl	2131800443	MTDNJMYDQJQTIR-NTSWFWBYSA-N	309.750	0.987	70	10	DCIE	
CCc1cccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)c1	2134972451	DHCPJKUYAKMEMJ-UHFFFAOYSA-N	307.368	0.921	70	10	DCIE	
COc1nc(Cl)nc(N2CCOC[C@H]2C(=O)NC2CC2)n1	160277624	YIUKMXOEMCCCCA-QMMMGPOBSA-N	313.745	0.017	70	10	DCIE	
CC(C)NS(=O)(=O)c1cccc(C(=O)NC2(CO)CC2)c1	160342893	XTHOALYSUYUXDP-UHFFFAOYSA-N	312.391	0.628	70	10	DCIE	
O=C(c1cccc(Cl)n1)N1CCN(S(=O)(=O)F)CC1	1974001223	PCKOWYFITIIODX-UHFFFAOYSA-N	307.734	0.707	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1974055735	VLGJZKGDOAEGAD-RMPHRYRLSA-N	302.371	0.541	70	10	DCIE	
C[C@@]1(C(F)F)C[C@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	1974056002	ZGDHOBGILBLTAP-OIBJUYFYSA-N	300.302	0.540	70	10	DCIE	
O=C([C@H]1CC2(CCC2)CO1)N1CCN(S(=O)(=O)F)CC1	1974015214	RCDIJZUKFNVDFN-SNVBAGLBSA-N	306.359	0.304	70	10	DCIE	
COc1cc(NS(=O)(=O)c2c(N)ncn2C)ccc1F	159789648	XGRDMFNXJPVBSO-UHFFFAOYSA-N	300.315	0.951	70	10	DCIE	
CO[C@@]1(CNC[C@@H]2CCCN(S(C)(=O)=O)C2)CCOC1	160339640	CBRATBHNJYQATK-QWHCGFSZSA-N	306.428	0.053	70	10	DCIE	
Cc1nc(NC(=O)c2cn(C)nn2)sc1S(=O)(=O)Cl	311885071	VKTDWDRJAXUNCP-UHFFFAOYSA-N	321.771	0.760	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)c1c(F)cccc1F	2220336227	TWCDIJBTQOHNFT-UHFFFAOYSA-N	319.738	0.812	70	10	DCIE	
CO[C@@H]1COCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	380655376	RMSARFODKGPDHH-WCBMZHEXSA-N	322.770	0.476	70	10	DCIE	
Cc1ncnc(N2C[C@H]3OCCN(C)[C@@H]3C2)c1[B-](F)(F)F	2172757717	FUHUPHHHFHAGIK-NXEZZACHSA-N	301.101	0.359	70	10	DCIE	
O=S(=O)(F)N1CCN(S(=O)(=O)C2CCCCC2)CC1	2107402963	QWFMQUXIMIFHPM-UHFFFAOYSA-N	314.404	0.481	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C1CC2(CCOC2)C1	2287066353	WADAARAOWKSNKV-YZRBJQDESA-N	306.359	0.208	70	10	DCIE	
Cc1nonc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	460094176	MSNVXAQRJQLBJR-UHFFFAOYSA-N	321.311	0.837	70	10	DCIE	
O=C([C@H]1CC[C@@H]2[C@H]1C2(F)F)N1CCN(S(=O)(=O)F)CC1	2354629338	FNUADODDFSPWQD-YIZRAAEISA-N	312.313	0.636	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)c1cccc(F)c1	124138221	OYKCAFDZFRYANB-UHFFFAOYSA-N	301.748	0.673	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@@H]1C[C@H]2COC[C@H]2O1	724637217	SHKYLMPLEZSKNZ-LPEHRKFASA-N	306.771	0.923	70	10	DCIE	
CCN(CCS(C)(=O)=O)c1nc(C)ncc1[B-](F)(F)F	2116132094	JDLUFAHMJTURKS-UHFFFAOYSA-N	310.130	0.710	70	10	DCIE	
CCc1ccc(N)cc1S(=O)(=O)NC[C@@]1(OC)CCOC1	159897945	DLGOVDWGONNDQQ-AWEZNQCLSA-N	314.407	0.915	70	10	DCIE	
C[C@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(N)=O	159951865	CKCNIAPXLUJRCY-UWVGGRQHSA-N	302.338	0.501	70	10	DCIE	
CC[C@@H](C)[C@H](O)CNC(=O)c1cccc(S(N)(=O)=O)c1C	159395259	BDVZOOQKRYHBDB-BXKDBHETSA-N	314.407	0.779	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3OCC[C@H]23)c1S(=O)(=O)Cl	2151829492	FKBSYGYLIIUDOB-BWZBUEFSSA-N	319.770	0.553	70	10	DCIE	
Cc1ncnc(N(C)C2CC(S(C)(=O)=O)C2)c1[B-](F)(F)F	2172772497	OMLXZAXALQIZKR-UHFFFAOYSA-N	322.141	0.851	70	10	DCIE	
Cc1cc(N2CC[C@H](NS(C)(=O)=O)C2)ncc1[B-](F)(F)F	2172773992	JLWRJTMAKBBBGF-VIFPVBQESA-N	322.141	0.572	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1C[C@H]2C[C@@H]2CO1	2179429649	PMULQUXELGWUNO-PRJMDXOYSA-N	320.754	0.301	70	10	DCIE	
CN1CCO[C@@H]2CCN(c3ncncc3[B-](F)(F)F)C[C@@H]21	2185495575	FCPUQPCYFGSRNU-WDEREUQCSA-N	301.101	0.440	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)C[C@@H]1CO[C@@H]2COC[C@@H]21	2101814418	MWGPYAYHHBUMRG-IJLUTSLNSA-N	311.831	0.928	70	10	DCIE	
C[C@H]1[C@@H](C)[C@@H]1S(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2112719182	YEXOKCJBHLPIOV-MBTKJCJQSA-N	314.404	0.239	70	10	DCIE	
CCC12COC(C(=O)NCC3CN(S(=O)(=O)F)C3)(C1)C2	2205377740	UEKWCNCVMCCXHN-UHFFFAOYSA-N	306.359	0.208	70	10	DCIE	
O=C(Cc1c(F)cccc1F)NC1CN(S(=O)(=O)F)C1	2284151192	OXJXYSKXOZDHNI-UHFFFAOYSA-N	308.281	0.522	70	10	DCIE	
CC[C@@H]1CC[C@H](N)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217970942	DDBMJXZRRGYWKV-MCIONIFRSA-N	303.472	0.717	70	10	DCIE	
Cc1cccc2[nH]c(CNC(=O)CN3CCC(=O)NC3=O)nc12	160466916	XAFDEEBKKPDZCV-UHFFFAOYSA-N	315.333	0.429	70	10	DCIE	
CC(C)n1nccc1C(=O)NC1CCC(C(=O)NC(N)=O)CC1	160827950	XBGGEVYLOLHCIP-UHFFFAOYSA-N	321.381	0.948	70	10	DCIE	
O=C(OCCO[C@H]1CCOC1)c1cc(S(=O)(=O)Cl)c[nH]1	2143625529	KVMHPHXNQJOBFN-QMMMGPOBSA-N	323.754	0.905	70	10	DCIE	
Cc1cc(C(=O)N2CCN(S(=O)(=O)F)CC2)c(C)nn1	1974000663	DLXXCTVMEIHRFQ-UHFFFAOYSA-N	302.331	0.066	70	10	DCIE	
O=C1CN(c2ccc(CS(=O)(=O)Cl)cc2)CC(=O)N1	258858357	QQKWXJUSNVKMAW-UHFFFAOYSA-N	302.739	0.218	70	10	DCIE	
CO[C@@]1(CNC[C@H]2CCCN(S(C)(=O)=O)C2)CCOC1	160339893	CBRATBHNJYQATK-CHWSQXEVSA-N	306.428	0.053	70	10	DCIE	
CC(C)N(C)S(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2028126388	FFKWFRBUPODMDQ-VIFPVBQESA-N	302.393	0.335	70	10	DCIE	
Cc1noc(C2(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)n1	1135098580	QCHQPQNYXRTSDQ-UHFFFAOYSA-N	314.298	0.783	70	10	DCIE	
O=S1(=O)C[C@H]2CCN(c3ccncc3[B-](F)(F)F)[C@H]2C1	2116144215	DHSJXPWERBSJSI-KCJUWKMLSA-N	305.110	0.759	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C2CCC1(CO)CC2	1347824458	VRVFNYPZJIDEBA-UHFFFAOYSA-N	302.327	0.802	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1[C@@H](C)C(=O)N1CCOCC1	215694218	PZWCTOQEFMGAGO-QMMMGPOBSA-N	321.786	0.539	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)[C@H]2CCC[C@@H]2F)C1	2134974679	IXPYYGJFKHUJJI-UWVGGRQHSA-N	317.379	0.828	70	10	DCIE	
CC(C)[C@H](O)CC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O	161110796	BBFXDQWYOHGYLJ-VXGBXAGGSA-N	308.382	0.439	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1c1cccnc1C(N)=S	159812515	IFNVZYXDEHCDMJ-LLVKDONJSA-N	308.407	0.446	70	10	DCIE	
NC(=O)c1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1	159977907	SLRZMBKITYXDRD-AWEZNQCLSA-N	305.378	0.362	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1nccc(C)c1C(N)=S	159791018	YJOOWFRFEDGXLR-SNVBAGLBSA-N	308.407	0.366	70	10	DCIE	
C[C@@]1(C(F)F)C[C@@H]1C(=O)N1CCN(S(=O)(=O)F)CC1	1974015148	QBLUCRNRNLNFQN-GMSGAONNSA-N	300.302	0.636	70	10	DCIE	
CCn1nccc1-c1nnc(S(=O)(=O)Cl)n1CCOC	2150679667	JSGFUZSBDHABRM-UHFFFAOYSA-N	319.774	0.735	70	10	DCIE	
O=S(=O)(Cl)Cc1ccc(OC2CS(=O)(=O)C2)cc1	258775110	PCFMGPXVGUEHPU-UHFFFAOYSA-N	310.780	0.931	70	10	DCIE	
O=C(NC1CC1)[C@@H]1COCCN1c1nc(Cl)c(CO)s1	160098162	KOCMZONIDOIFDG-QMMMGPOBSA-N	317.798	0.773	70	10	DCIE	
O=S1(=O)CC[C@H](NCc2nc([C@H]3CCCS3)no2)C1	160590087	SRRQQKFTWHOWGF-DTWKUNHWSA-N	303.409	0.914	70	10	DCIE	
CC(C)OCCS(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2028128348	KDZJIPTZKSFBGB-VIFPVBQESA-N	303.377	0.115	70	10	DCIE	
COCCCOCCOc1ncc([B-](F)(F)F)c(OC)n1	2172635499	HDBBBAFLQZSXAB-UHFFFAOYSA-N	309.073	0.972	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(CCS(C)(=O)=O)C2CC2)n1	2172772784	RYDOZVIUVGMTLA-UHFFFAOYSA-N	322.141	0.853	70	10	DCIE	
CC1CCN(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)CC1	2088469911	RUFYQQMJBSUWGT-JTQLQIEISA-N	314.404	0.337	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C2CC(C(F)F)C2)[nH]1	2241111965	YMZFUQOTXVDTGS-UHFFFAOYSA-N	311.285	0.730	70	10	DCIE	
CC(=O)N(CCN)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	217287363	KMFDAXCPXWRSKL-AWEZNQCLSA-N	318.377	0.304	70	10	DCIE	
CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)Cl)CCO1	1953573724	NPLGGXVBJYCBGE-QMMMGPOBSA-N	314.791	0.696	70	10	DCIE	
O=c1ccccn1C[C@H](O)CNS(=O)(=O)C1CCCCC1	218475078	IIWZUACJLAEQHK-GFCCVEGCSA-N	314.407	0.461	70	10	DCIE	
CCOC(=O)C[C@H](OS(=O)(=O)C(F)(F)F)C(=O)OCC	196356061	SWBSVDHJXGLFHH-LURJTMIESA-N	322.257	0.738	70	10	DCIE	
CNC(=O)CNC(=O)c1ccc(S(=O)(=O)F)cc1Cl	1124781611	AOZVAJFQXFXWMM-UHFFFAOYSA-N	308.718	0.474	70	10	DCIE	
C#CCNC(=O)Cn1nc(CC)c(S(=O)(=O)Cl)c1CC	215930527	WBIOMOABAYJETG-UHFFFAOYSA-N	317.798	0.685	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ncccc2Cl)[nH]1	1923144197	NGMPTVYNGVVZDJ-UHFFFAOYSA-N	318.717	0.801	70	10	DCIE	
O=C1N[C@@H](C(=O)Nc2ccc(F)c(CS(=O)(=O)F)c2)CO1	1624554360	IMTIUXFKUDIUMD-SECBINFHSA-N	320.273	0.672	70	10	DCIE	
O=C(NCC(=O)c1cncs1)c1cc(S(=O)(=O)F)c[nH]1	1648107353	ZACXANPMQBXHTD-UHFFFAOYSA-N	317.323	0.742	70	10	DCIE	
Cc1cc(N2CCN(C(=O)CO)CC2)nc(-c2ccncc2)n1	160971289	GVUOTYIJXMUFQM-UHFFFAOYSA-N	313.361	0.488	70	10	DCIE	
CCc1ncncc1C(=O)N1CCC(S(=O)(=O)F)CC1	1968216488	ABLFSSMEAJCZPT-UHFFFAOYSA-N	301.343	0.943	70	10	DCIE	
CNC1(C)CCN(c2cnn(CCO)c(=O)c2Cl)CC1	159885129	GWNWTKUZVCGVOZ-UHFFFAOYSA-N	300.790	0.467	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2)C1	2088470662	ZSGPEOPNQKTWSO-JTQLQIEISA-N	311.331	0.888	70	10	DCIE	
CCCCc1nc(S(=O)(=O)Cl)cn1Cc1nnnn1C	2237593629	VOACNWPAHHLMEY-UHFFFAOYSA-N	318.790	0.725	70	10	DCIE	
C[C@H](CC(=O)NC1CN(S(=O)(=O)F)C1)P(C)(C)=O	2256744103	SAVVYTKMDPYUNX-SSDOTTSWSA-N	300.292	0.402	70	10	DCIE	
COC1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CC(C)C1	2281085459	ULDHGQPDCIWEGS-UHFFFAOYSA-N	308.375	0.596	70	10	DCIE	
CC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1	217285545	QLHFARJXFYSGHC-LBPRGKRZSA-N	310.398	0.260	70	10	DCIE	
CN(C)c1ccc(C(=O)NC[C@@H](O)Cn2ccccc2=O)cc1	218429522	IOKOOAJAIALZKJ-OAHLLOKOSA-N	315.373	0.705	70	10	DCIE	
NC(=O)CCOc1ccc(C(=O)O)cc1S(=O)(=O)Cl	215637435	LTTMSJZQOSCVGM-UHFFFAOYSA-N	307.711	0.567	70	10	DCIE	
O=S(=O)(F)c1ccccc1NS(=O)(=O)c1ccn[nH]1	223624713	PLRSVKMJWHKPOF-UHFFFAOYSA-N	305.312	0.869	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1[C@@H]1CCNC1=O	691827892	XOVKJFRTODMLBF-RXMQYKEDSA-N	308.703	0.088	70	10	DCIE	
Cn1cc(-c2nnc(S(=O)(=O)Cl)n2C(C)(C)C)nn1	387975172	DFZUUBMOPQRGNR-UHFFFAOYSA-N	304.763	0.756	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1CC1(F)F	691216260	AJSWPXXLDQIYEV-BYPYZUCNSA-N	300.670	0.532	70	10	DCIE	
CC1(C)CN(c2ncncc2[B-](F)(F)F)CCS1(=O)=O	2116145736	NZLAOABPTKCXCT-UHFFFAOYSA-N	308.114	0.544	70	10	DCIE	
CC(F)(F)[C@H]1C[C@H]1CS(=O)(=O)N1CC(S(=O)(=O)F)C1	2134971694	RWAOPOWOIVDIIP-XPUUQOCRSA-N	321.342	0.591	70	10	DCIE	
Nc1nccc2c1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2	1631512439	LTMWIUVYUIQMLI-UHFFFAOYSA-N	324.337	0.849	70	10	DCIE	
NC(=S)c1ccccc1N1CCOC[C@H]1C(=O)NC1CC1	159807388	STYKDHIUNIYNGX-ZDUSSCGKSA-N	305.403	0.805	70	10	DCIE	
COC(=O)Cn1ncc(N2C[C@H](C)C[C@@H](N)C2)c(Cl)c1=O	159799473	DCFPAALXRVUMFS-RKDXNWHRSA-N	314.773	0.243	70	10	DCIE	
CCCn1cccc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974000764	GMXYOJGOLDQVJC-UHFFFAOYSA-N	303.359	0.870	70	10	DCIE	
COc1nc(N2CC[C@@H](S(C)(=O)=O)C2)ncc1[B-](F)(F)F	2179892875	JLFADAJUXXSMFH-SSDOTTSWSA-N	324.113	0.163	70	10	DCIE	
CN1CCN(CCCn2cc(S(=O)(=O)Cl)cn2)C1=O	709775412	HYEANBRWMPKSMW-UHFFFAOYSA-N	306.775	0.568	70	10	DCIE	
Cc1coc(S(=O)(=O)N2CCN(S(=O)(=O)F)CC2)c1	2107408469	NACIBQKUVRQLIB-UHFFFAOYSA-N	312.344	0.109	70	10	DCIE	
O=C([C@@H]1OC[C@@H]2CCC[C@H]21)N1CCN(S(=O)(=O)F)CC1	2233186763	OAISDMHNVXVFIF-HBNTYKKESA-N	306.359	0.160	70	10	DCIE	
O=C(COc1ccc(Cl)cc1)NC1CN(S(=O)(=O)F)C1	2284149392	BWFQCCONLLAJDR-UHFFFAOYSA-N	322.745	0.734	70	10	DCIE	
COc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)cc1Cl	2284150145	HKQACGUOVHEZGA-UHFFFAOYSA-N	322.745	0.977	70	10	DCIE	
O=C(OCC1[C@@H]2COC[C@@H]12)c1cc(S(=O)(=O)Cl)c[nH]1	2341842043	RQNKCAJUPKDDIP-HTQZYQBOSA-N	305.739	0.991	70	10	DCIE	
Cn1nnc(C[S@](=O)Cc2ccc(S(=O)(=O)F)cc2)n1	857216505	UOGZDQLPQQLDSI-LJQANCHMSA-N	318.355	0.317	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1[C@H]2COC[C@H]21	2118018144	WXDUZDIYAFNZAZ-DIYOJNKTSA-N	304.755	0.327	70	10	DCIE	
C[C@@]1(COCCOCCS(=O)(=O)Cl)COCCO1	2222036781	QFFHNSVQHDOUQA-SNVBAGLBSA-N	302.776	0.394	70	10	DCIE	
NC(=O)C1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCC1	1465198110	HQCBXISUXLZGKF-UHFFFAOYSA-N	303.315	0.201	70	10	DCIE	
CC1(O)CN(c2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)C1	1472776974	GUNRSPNCXSBUJM-UHFFFAOYSA-N	304.299	0.965	70	10	DCIE	
CCN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C[C@@H](C)O	1663427238	ZJXKQEDXSXDZFR-SECBINFHSA-N	321.374	0.105	70	10	DCIE	
CCCNc1nc(Cl)nc(N2CCOC[C@H]2C(=O)NC)n1	160550217	GHTMCCPXHXOWHQ-QMMMGPOBSA-N	314.777	0.298	70	10	DCIE	
CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1cnn(C)c1)CC2	159373555	PFUVHBBRBASVBX-JTQLQIEISA-N	324.410	0.428	70	10	DCIE	
O=C(O)c1cc(CS(=O)(=O)F)cc(OS(=O)(=O)F)c1	1887520185	GQUQURZJNPKVQS-UHFFFAOYSA-N	316.259	0.777	70	10	DCIE	
C#C[C@@H](C)N(C)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	1963993690	RJQUIATWNOZZFN-SECBINFHSA-N	305.352	0.987	70	10	DCIE	
C[C@@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)F)CC2)CCS1	1974014850	NIMMEBODCJXOLA-NXEZZACHSA-N	310.416	0.877	70	10	DCIE	
COC(C)(C)CNS(=O)(=O)CCOc1ccccc1N	159890115	NBTSKTBMVWXUFG-UHFFFAOYSA-N	302.396	0.992	70	10	DCIE	
NC(=O)NCCNC[C@H](O)COc1c(Cl)cccc1Cl	160970713	MSVNUJWPBCKGRG-QMMMGPOBSA-N	322.192	0.991	70	10	DCIE	
O=C(N1CCC(S(=O)(=O)F)CC1)[C@@]12COC[C@H]1C2(F)F	2161915054	YVIYWPOYFSWBDP-PSASIEDQSA-N	313.297	0.558	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cn1)[C@@H]1CO[C@@]2(CCOC2)C1	2178995929	LMCQXWQYVMPMEP-JQWIXIFHSA-N	302.085	0.915	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2CCN(C3COC3)CC2)n1	2172770558	MUJTVTBWXMGVSH-UHFFFAOYSA-N	300.113	0.965	70	10	DCIE	
CON(c1ncncc1[B-](F)(F)F)C1CCS(=O)(=O)CC1	2173177756	BZSJBKXCYSXQRI-UHFFFAOYSA-N	324.113	0.476	70	10	DCIE	
Cc1cc(S(=O)(=O)F)ccc1O[C@@H](C)C(=O)NC(N)=O	2191434320	JBAXJKLDLWEXJT-ZETCQYMHSA-N	304.299	0.615	70	10	DCIE	
CCCc1nnsc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287077657	XBEVFDFBUMMTRZ-ZETCQYMHSA-N	322.387	0.509	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@H]2C[C@@H]2F)c1S(=O)(=O)Cl	2131800445	MTDNJMYDQJQTIR-RITPCOANSA-N	309.750	0.987	70	10	DCIE	
CC(C)(C)n1nnc(Cn2cnc(S(=O)(=O)Cl)c2)n1	690489494	LHHXQCLWOOSTOI-UHFFFAOYSA-N	304.763	0.600	70	10	DCIE	
CN(C)CC(C)(C)CNS(=O)(=O)N1CCCC[C@H]1CO	217297476	TWGMEACKYJRWFQ-LBPRGKRZSA-N	307.460	0.255	70	10	DCIE	
CCNc1ccc(S(=O)(=O)NC[C@]2(OC)CCOC2)cn1	161205434	DLRXPOPPTOWXAF-CYBMUJFWSA-N	315.395	0.597	70	10	DCIE	
COc1sccc1S(=O)(=O)NCCS(=O)(=O)Cl	1946712979	GMOKGTRINGMEAV-UHFFFAOYSA-N	319.813	0.604	70	10	DCIE	
O=C(N1CC[C@@H](S(=O)(=O)F)C1)C12CCCN(CCC1)C2	2144732700	IIQRLTFFSHZTLS-LLVKDONJSA-N	304.387	0.763	70	10	DCIE	
CCCn1ncc(N2CCO[C@H](CNC)C2)c(Cl)c1=O	159849109	KWJHBJVKPAWYNB-SNVBAGLBSA-N	300.790	0.731	70	10	DCIE	
CCCNCCn1cc(S(=O)(=O)NC[C@@H]2C[C@@H]2C)cn1	160891421	PGTINBBEKVLUDQ-RYUDHWBXSA-N	300.428	0.817	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@H]3OCCN(C)[C@@H]3C2)n1	2172762992	OFFLKSDRWOQCGK-GHMZBOCLSA-N	301.101	0.359	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)N2CCCCCC2)C1	2088469686	PPRHMAMIBVDLFW-JTQLQIEISA-N	314.404	0.481	70	10	DCIE	
COCCc1noc(Cn2cnc(S(=O)(=O)Cl)c2)n1	2113362013	ZSTHKIQTVCYDPI-UHFFFAOYSA-N	306.731	0.431	70	10	DCIE	
CCC1(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)COC1	2271571593	MZSQZASMWAQBNB-UHFFFAOYSA-N	308.743	0.303	70	10	DCIE	
CS(=O)(=O)CCS(=O)(=O)N1CC[C@H]([B-](F)(F)F)C1	2303113140	YLQCVKYPBUIXCI-ZETCQYMHSA-N	308.132	0.284	70	10	DCIE	
CC(C)(C)OC(=O)N1C[C@H](CO)[C@@H]2OC(C)(C)O[C@H]2[C@H]1N	218720890	ZRILQQCDNCSHCL-YTWAJWBKSA-N	302.371	0.651	70	10	DCIE	
CS(=O)(=O)N1CC[C@@H](Oc2cncc([B-](F)(F)F)c2)C1	689736686	IUCJDOFLVPZIHB-SECBINFHSA-N	309.098	0.549	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1CC[C@@H]2C[C@H]21	2134644998	PHCBODQJTOPAFO-GJMOJQLCSA-N	304.755	0.923	70	10	DCIE	
CCCc1nnc(S(=O)(=O)CCS(=O)(=O)Cl)o1	2001245497	MIRAIUBFJSISAW-UHFFFAOYSA-N	302.761	0.364	70	10	DCIE	
Cn1ccc(C(=O)Nc2ncc(S(=O)(=O)F)s2)cc1=O	1530973958	CWZKCCXFYFNCGE-UHFFFAOYSA-N	317.323	0.752	70	10	DCIE	
NS(=O)(=O)Nc1cccc(NC(=O)c2ccncc2O)c1	161320699	BATILYUYSNVDKG-UHFFFAOYSA-N	308.319	0.655	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCN(C(C)=O)CC1	160138876	QCTRWBZQEBEBJS-UHFFFAOYSA-N	308.338	0.175	70	10	DCIE	
C[C@@H](NC(=O)c1[nH]nc2ccccc12)C(=O)NC1(CO)CC1	160355278	PUONUTJDFQKBRZ-SECBINFHSA-N	302.334	0.322	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)NCCc2ccccc2O)C[C@H](C)O1	159656499	CEOBYKJMUHOCQG-RYUDHWBXSA-N	314.407	0.878	70	10	DCIE	
Cc1cc(C)cc(CCNC(=O)C2CC3(C2)NC(=O)NC3=O)c1	159570034	OWXTXDIASMHPKV-UHFFFAOYSA-N	315.373	0.950	70	10	DCIE	
COCC1(C(=O)NCC2CN(S(=O)(=O)F)C2)CCCC1	1974055758	VWPWURYVJOZMPR-UHFFFAOYSA-N	308.375	0.456	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCC[C@@H](S(C)(=O)=O)C2)n1	2172767325	SIXXKRBDKBVFQH-SECBINFHSA-N	322.141	0.853	70	10	DCIE	
CS(=O)(=O)N1CCCN(c2ccncc2[B-](F)(F)F)CC1	2172786617	ULMNKTMCKLMBGN-UHFFFAOYSA-N	322.141	0.608	70	10	DCIE	
CO[C@H]1COC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	2177283704	OMSDUDBLNWHMDW-WPRPVWTQSA-N	322.770	0.096	70	10	DCIE	
COCCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1C[C@H]1F	2188361896	FLZJATRIJHMGFI-RKDXNWHRSA-N	324.761	0.902	70	10	DCIE	
COCCNS(=O)(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2073786052	GYEYSVBNRUQCQP-RKDXNWHRSA-N	301.119	0.781	70	10	DCIE	
COC(=O)[C@H]1C[C@H](N(O)C(N)=O)CN1C(=O)OC(C)(C)C	217873061	CIAWLJUAYIEOQY-JGVFFNPUSA-N	303.315	0.307	70	10	DCIE	
COC(=O)c1ccc(CNC(=O)Nc2ccc(=O)[nH]n2)cc1	217304075	XBHNIZBXIDHBMO-UHFFFAOYSA-N	302.290	0.878	70	10	DCIE	
CN(CCc1ncon1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1304030392	VJKUZODEFKSODO-UHFFFAOYSA-N	302.287	0.371	70	10	DCIE	
CC(C)CN(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1567303269	GBPPHWLHYNBQNK-UHFFFAOYSA-N	305.375	0.991	70	10	DCIE	
CCNc1ccncc1S(=O)(=O)NC[C@@]1(OC)CCOC1	161202613	FKXGGHHLUQCWMP-ZDUSSCGKSA-N	315.395	0.597	70	10	DCIE	
Cn1ccc(-c2nnc(S(=O)(=O)Cl)n2C2CC2)cc1=O	236112358	JIBDASSMDSCCFE-UHFFFAOYSA-N	314.754	0.906	70	10	DCIE	
CCc1nc(C(=O)N2CCN(S(=O)(=O)F)CC2)c(C)o1	1974015154	QEBGNQKWLLPDHQ-UHFFFAOYSA-N	305.331	0.518	70	10	DCIE	
CO[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	300183155	YAZKJIZVDRYFJW-SECBINFHSA-N	323.367	0.754	70	10	DCIE	
Cc1nc(N(C)C[C@H]2CN(C)CCO2)ncc1[B-](F)(F)F	2172768303	HDUFWGZSFCOXTP-SNVBAGLBSA-N	303.117	0.606	70	10	DCIE	
O=C(c1csc2cncn12)N1CC[C@H](S(=O)(=O)F)C1	2094885107	NSSVLCACWBJVLY-ZETCQYMHSA-N	303.340	0.910	70	10	DCIE	
C[C@@H]1OC2(C)CC1(C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)C2	2287079047	RWKGVOMMOHGYGR-CAQTZKSYSA-N	306.359	0.349	70	10	DCIE	
Cc1cc(C)nc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1	2287073892	ZFWZHKQVXCWRRV-JTQLQIEISA-N	301.343	0.717	70	10	DCIE	
Cc1[nH]nc(C(=O)OC[C@@H]2CCN2C)c1S(=O)(=O)Cl	2335387841	HOVNHJRCUHQJHN-ZETCQYMHSA-N	307.759	0.507	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ncc([B-](F)(F)F)cc3F)C[C@@H]21	2336508295	LQRDOEHESRAJRR-RCOVLWMOSA-N	309.073	0.508	70	10	DCIE	
COc1cc(C(=O)Nc2ccc(S(=O)(=O)F)nc2)on1	2166526001	XAOAPVIMVYABBW-UHFFFAOYSA-N	301.255	0.989	70	10	DCIE	
C[C@H]1OCC[C@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2121147859	OKLQMTMNKLRPEH-RQJHMYQMSA-N	308.743	0.301	70	10	DCIE	
CN(CC#N)CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1268250408	CJNUFEPPJJZADP-UHFFFAOYSA-N	302.331	0.200	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)N(C)CCc2nccs2)C[C@@H](C)O1	159633562	ZCTQITRQXBMACK-PHIMTYICSA-N	319.452	0.971	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1C(=O)[C@H](N)c1cccs1	159700277	GMHWLSVYEAXMGO-ZYHUDNBSSA-N	311.407	0.500	70	10	DCIE	
Cc1cc(C(=O)N2CCC(S(=O)(=O)F)CC2)nnc1C	1972664226	IBAOFYFPCBJQKW-UHFFFAOYSA-N	301.343	0.997	70	10	DCIE	
CCCN1CCN(CCn2cnc(S(=O)(=O)Cl)c2)CC1	2169945002	DPSDOSJUFANVLH-UHFFFAOYSA-N	320.846	0.838	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2C[C@H]3C[C@@H]3C2)c1	380376980	DTKUNHXQDBAZBG-RKDXNWHRSA-N	305.352	0.985	70	10	DCIE	
COc1nc(N(C)[C@@H]2CN3CC[C@H]2C3)ncc1[B-](F)(F)F	2172758642	SVHOZUQJBFSFHC-WCBMZHEXSA-N	301.101	0.680	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCO[C@@]2(CCCOC2)C1	2172772057	ITKOOUZNTURGNM-LBPRGKRZSA-N	302.085	0.917	70	10	DCIE	
C[C@H](Oc1ccc(S(=O)(=O)F)cc1Cl)C(=O)NC(N)=O	2191420956	CTGOSNNPEZTKLU-YFKPBYRVSA-N	324.717	0.960	70	10	DCIE	
CCn1c([C@@H]2CO[C@H]3COC[C@@H]32)nnc1S(=O)(=O)Cl	2101887948	AJANIXLPVPQSRD-PRJMDXOYSA-N	307.759	0.354	70	10	DCIE	
CS(=O)(=O)N1CC[C@@H](Oc2ccncc2[B-](F)(F)F)C1	2270090185	LUIPPFDAHXQUGL-MRVPVSSYSA-N	309.098	0.549	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cc(F)c(F)c(F)c1	2284149641	BZKYQYYRZAZYQH-UHFFFAOYSA-N	312.244	0.732	70	10	DCIE	
COCCNS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1	100602446	WVJIECCPDDNUDZ-UHFFFAOYSA-N	313.784	0.539	70	10	DCIE	
C#CC1CCC(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CC1	2363808797	YOWJPBUFHZLWML-HTAVTVPLSA-N	302.371	0.831	70	10	DCIE	
CC#CCNS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1	135254773	BVNBKGLSPHYQJQ-UHFFFAOYSA-N	307.780	0.916	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1[C@H](C)C(=O)N1CCOCC1	215694262	PZWCTOQEFMGAGO-MRVPVSSYSA-N	321.786	0.539	70	10	DCIE	
O=C(Cn1c(=O)cc[nH]c1=O)Nc1ccccc1Br	217457124	XGCCVMPIRWDAJY-UHFFFAOYSA-N	324.134	0.938	70	10	DCIE	
C[S@](=O)CCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	400540186	KHZQHILJOGIFGT-INIZCTEOSA-N	301.733	0.097	70	10	DCIE	
O=[N+]([O-])c1ccc(N2CCOCN2)c(CS(=O)(=O)F)c1	1655872879	WBJDKXCZPOPBQG-UHFFFAOYSA-N	305.287	0.693	70	10	DCIE	
CN(C)CCn1cc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)cn1	161489201	IHMUWADYDDWFTN-LBPRGKRZSA-N	322.413	0.564	70	10	DCIE	
CCOCCOCCNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2143869088	VVZCEMDICFNURO-UHFFFAOYSA-N	324.786	0.725	70	10	DCIE	
Cn1c(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)ccc1[N+](=O)[O-]	1968234492	CGHWDIYVLXWBNQ-SSDOTTSWSA-N	305.287	0.447	70	10	DCIE	
Cc1cnccc1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974402206	LAAGBQOMPQDVIL-UHFFFAOYSA-N	301.343	0.799	70	10	DCIE	
COc1nn(Cc2cnccn2)c(OC)c1S(=O)(=O)Cl	2149824349	XLOHVUZIBZYEDI-UHFFFAOYSA-N	318.742	0.666	70	10	DCIE	
Cn1c(=O)[nH]c(=O)c2c1ncn2CCCCBr	144923842	UIXCMBNJRNXBBV-UHFFFAOYSA-N	301.144	0.598	70	10	DCIE	
C[C@H]1C[C@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CCO1	2182914305	WMDSTUPISVUUMA-JGVFFNPUSA-N	305.331	0.254	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@]12CCOC[C@@H]1C2	2194419651	HFHUTLFZRNNNQR-QPUJVOFHSA-N	318.782	0.861	70	10	DCIE	
CC(C)OCCS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2088471205	FIXQAUQXDZJPJM-JTQLQIEISA-N	317.404	0.505	70	10	DCIE	
CC(C)Cn1c(Cn2cnnc2)nnc1S(=O)(=O)Cl	2090272953	ACBRBKRONWBVNU-UHFFFAOYSA-N	304.763	0.501	70	10	DCIE	
CS[C@@H](C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F)C1CC1	2335902461	OSUAQNQBYBUSRX-MRVPVSSYSA-N	307.372	0.580	70	10	DCIE	
C[C@@]1(n2ncc(C#N)c2S(=O)(=O)Cl)CCS(=O)(=O)C1	112360350	YSINPCVEFFBDJE-SECBINFHSA-N	323.783	0.216	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1CC(=O)NC1CC1	2182345414	YIIHFIUPQGOXBE-UHFFFAOYSA-N	321.786	0.626	70	10	DCIE	
CCS(=O)(=O)[C@@H]1CCN(c2ncc([B-](F)(F)F)cn2)C1	2123308275	JTUFRCFUYFZPDS-SECBINFHSA-N	308.114	0.544	70	10	DCIE	
CCn1[nH]c(C)nc1=NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1436755538	XXYCANVWMDWZMF-UHFFFAOYSA-N	301.303	0.267	70	10	DCIE	
C[C@H]1OCC[C@H]1N(C)c1nc(Cl)nc(N2CCOCC2)n1	160464812	MNMXLFNIZFBARO-NXEZZACHSA-N	313.789	0.975	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccc([C@H](C)N)cc2)CCOC1	160662013	QOUQDIWRGTZVCB-FZMZJTMJSA-N	314.407	0.790	70	10	DCIE	
COC(=O)Cn1cc(CCn2ccc3occc3c2=O)nn1	159802573	FLFWXXBVCVIATP-UHFFFAOYSA-N	302.290	0.602	70	10	DCIE	
O=C([C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21)N1CCN(S(=O)(=O)F)CC1	1974014324	HOIJHRHKPHIKHG-YBXAARCKSA-N	302.371	0.637	70	10	DCIE	
COCCn1ncc(N2C[C@@H](C)NC[C@H]2C)c(Cl)c1=O	159570035	DHYRDDYVJOHTBZ-NXEZZACHSA-N	300.790	0.730	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@]23COC[C@H]2C3)c1S(=O)(=O)Cl	689325327	AVMUNXUAFWGOTA-HQJQHLMTSA-N	319.770	0.412	70	10	DCIE	
Cc1[nH]nc(C(=O)OC2CC3(COC3)C2)c1S(=O)(=O)Cl	2182184691	FCFGAXXKUNANBA-UHFFFAOYSA-N	320.754	0.981	70	10	DCIE	
CCCn1nnnc1CN(C)c1ncncc1[B-](F)(F)F	2196253775	IIHZAFJQVNSZJC-UHFFFAOYSA-N	300.077	0.564	70	10	DCIE	
O=C([C@H]1CCn2ccnc2C1)N1CC(CS(=O)(=O)F)C1	2199684994	XHOBZFAIMKTTET-JTQLQIEISA-N	301.343	0.203	70	10	DCIE	
O=C([C@H]1C[C@H]2COC[C@H](C2)C1)N1CC[C@H](S(=O)(=O)F)C1	2206846432	WLZBDAWVODNJAN-USZNOCQGSA-N	305.371	0.949	70	10	DCIE	
O=C(C[C@H]1CCC2(CCC2)O1)NC1CN(S(=O)(=O)F)C1	2284155520	NFSZOSBXUYBVNR-SNVBAGLBSA-N	306.359	0.493	70	10	DCIE	
CC(C)c1nc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)co1	2287073303	TVXGGDNYLMJMHW-QMMMGPOBSA-N	305.331	0.816	70	10	DCIE	
CS(=O)(=O)[C@H]1CC[C@@]2(CC(=O)N2S(=O)(=O)Cl)C1	2299778507	NDFPIIVGAGGKIR-XPUUQOCRSA-N	301.773	0.038	70	10	DCIE	
O=S(=O)(Cl)c1ccc(S(=O)(=O)NCCF)cc1	310174197	QQZNSXWZISNNPL-UHFFFAOYSA-N	301.748	0.862	70	10	DCIE	
CC(C)N1C[C@@H](NC(=O)NC(=O)c2ccc(N)cc2)CC1=O	217288827	CZHFLPUIJSAONQ-LBPRGKRZSA-N	304.350	0.718	70	10	DCIE	
Cn1ncc(-c2nnc(S(=O)(=O)Cl)n2C(C)(C)C)n1	382090275	LLYZXTAFZPSFGX-UHFFFAOYSA-N	304.763	0.756	70	10	DCIE	
CS(=O)(=O)N1CCC(C2(S(=O)(=O)Cl)CC2)CC1	689688106	PMELAEYRBNMYNE-UHFFFAOYSA-N	301.817	0.759	70	10	DCIE	
CS(=O)(=O)CCCCn1cnc(S(=O)(=O)Cl)c1	689728347	POIGLRLYWATJQH-UHFFFAOYSA-N	300.789	0.635	70	10	DCIE	
Cc1cnc(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)nc1	692565165	MEPZHKBXCSLRDM-UHFFFAOYSA-N	316.726	0.023	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cnc(Cl)s2)[nH]1	2126284628	CFAGLHMKCCEKAG-UHFFFAOYSA-N	324.746	0.862	70	10	DCIE	
COc1ccsc1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923179250	YYSMQPKZJGVJIW-UHFFFAOYSA-N	319.339	0.823	70	10	DCIE	
O=C(NC[C@@H](NCCF)C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1566724579	LIGTYHAMLFHNLD-LLVKDONJSA-N	321.349	0.740	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1c1nc(Cl)nc(NC)n1	160561171	VVPNPMZNHFBCHB-MRVPVSSYSA-N	314.777	0.298	70	10	DCIE	
CC(=O)NCC(=O)NCC(=O)N(Cc1ccco1)C1CCCC1	160883887	ZRCKGXLNGGJMJJ-UHFFFAOYSA-N	321.377	0.803	70	10	DCIE	
CNC(=O)[C@H]1COCCN1c1cc(OC)ccc1C(N)=S	159801797	NMNYENLQBKHRQN-GFCCVEGCSA-N	309.391	0.281	70	10	DCIE	
NC(=S)c1ccc(N2CCOC[C@H]2C(=O)NC2CC2)cc1	159810255	DMAIHHBLDDSXRS-ZDUSSCGKSA-N	305.403	0.805	70	10	DCIE	
COc1nc(C)nc(N2CCN(c3cnn(C)c3)C(=O)C2)c1C	159420183	ZPRRYSBANJATCU-UHFFFAOYSA-N	316.365	0.689	70	10	DCIE	
O=C(NCC(=O)N1C[C@@H]2CCC[C@H](C1)N2)OCC(F)(F)F	159746210	SIXMDLNLUYOQJR-DTORHVGOSA-N	309.288	0.628	70	10	DCIE	
CC(=O)Nc1cccc(C(=O)N2CC(S(=O)(=O)F)C2)c1	1972980778	QELPMSAAYICOBZ-UHFFFAOYSA-N	300.311	0.769	70	10	DCIE	
CCOC(=O)[C@@H](C)NS(=O)(=O)c1cc(N)cc(C)c1F	159500707	BJFVXWUNLHPWHT-MRVPVSSYSA-N	304.343	0.946	70	10	DCIE	
COCCn1c(C2CC(OC)C2)nnc1S(=O)(=O)Cl	703347131	YLPKNQJIFUXDRH-UHFFFAOYSA-N	309.775	0.744	70	10	DCIE	
CN(CCn1cc(S(=O)(=O)Cl)c(O)nc1=O)C1CCC1	2193700413	GCAGGLSZCBMCTH-UHFFFAOYSA-N	321.786	0.361	70	10	DCIE	
Cc1cc(OC[C@H]2CCS(=O)(=O)N2)ccc1S(=O)(=O)F	2191424185	PBGDJYLZVBUGMJ-SECBINFHSA-N	323.367	0.724	70	10	DCIE	
CCC12COC(C(=O)N3CCN(S(=O)(=O)F)CC3)(C1)C2	2205375738	HCZSPYVPLYDHQS-UHFFFAOYSA-N	306.359	0.304	70	10	DCIE	
COC1(CC(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CCCC1	2287077228	CVGIGBVBUOMLFP-SNVBAGLBSA-N	308.375	0.741	70	10	DCIE	
CO[C@H](C)CN(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1266326582	DZNQDMIBBZWGBZ-SECBINFHSA-N	321.374	0.369	70	10	DCIE	
COC(=O)NCCC(=O)Nc1ncc(S(=O)(=O)F)s1	1530976634	UYOHTWIOZABIHD-UHFFFAOYSA-N	311.316	0.486	70	10	DCIE	
CC(C)c1cc(S(=O)(=O)Cl)n(CCS(C)(=O)=O)n1	203535409	ITIBPHXCUNRMFG-UHFFFAOYSA-N	314.816	0.979	70	10	DCIE	
CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCCN)C2=O	160053843	KUDBDGMHLBZUIE-UHFFFAOYSA-N	310.398	0.342	70	10	DCIE	
CCc1nc2n(n1)C[C@H](NC(=O)N1CCC([C@H](C)O)CC1)CC2	160057201	AOIDNMAGQDOFDB-WCQYABFASA-N	321.425	0.958	70	10	DCIE	
CCOc1cc(N)cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c1	159677969	LCIOIGQLOCRAMN-SNVBAGLBSA-N	312.391	0.832	70	10	DCIE	
CC(C)NC(=O)CCCC(=O)N1CCS(=O)(=O)C(C)(C)C1	159891304	GZAQGJCPCAYQDA-UHFFFAOYSA-N	318.439	0.717	70	10	DCIE	
CN(C)CCN1CCN(c2ncccc2[B-](F)(F)F)CC1	2172782531	SKGFUHKAHXPSCJ-UHFFFAOYSA-N	301.145	0.820	70	10	DCIE	
O=S(=O)(Cl)c1cn(C[C@H]2CCCCS2(=O)=O)cn1	710606945	FINBNIXBIZSYQA-MRVPVSSYSA-N	312.800	0.778	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)C2CC(C(F)F)C2)C1	2078989367	VFDVOGBINMYWFN-UHFFFAOYSA-N	307.315	0.343	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CCOCCOCC2)n1	2280490644	LDGMFZMNJGAXJN-UHFFFAOYSA-N	305.085	0.998	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@@H]1C1CCOCC1	2284143077	SPCYCJCKJGDBER-GHMZBOCLSA-N	306.359	0.064	70	10	DCIE	
CO[C@H]1C[C@H](C(=O)NC2CN(S(=O)(=O)F)C2)C12CCC2	2284152165	XVBRCWVXXMFCRW-ZJUUUORDSA-N	306.359	0.206	70	10	DCIE	
Cc1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)nc1C	2287069572	QZLCGJRLOJYKMT-JTQLQIEISA-N	301.343	0.717	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1C[C@@H]2OCC[C@H]12	2354052750	SPUXJDGMVHPAEK-YWVKMMECSA-N	318.782	0.860	70	10	DCIE	
COCCn1c([C@H]2CO[C@H](C)C2)nnc1S(=O)(=O)Cl	133661972	CTSNTJGBISCZOP-HTQZYQBOSA-N	309.775	0.744	70	10	DCIE	
C[C@H](NC(=O)CCc1ccc(S(=O)(=O)F)cc1)C(N)=O	1515247184	MLSIDXASLQKKEA-QMMMGPOBSA-N	302.327	0.267	70	10	DCIE	
CC[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC(C)=O	1531495039	VXFZJEFNEKRCPW-MRVPVSSYSA-N	305.331	0.317	70	10	DCIE	
Cc1n[nH]c(C)c1CC(=O)N1CCC(S(=O)(=O)F)CC1	2144733280	OJHZIDNYPNTGMT-UHFFFAOYSA-N	303.359	0.859	70	10	DCIE	
O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](S(=O)(=O)F)C1	2144732196	CNDQAIUPGXSRNY-MRVPVSSYSA-N	301.343	0.802	70	10	DCIE	
O=C(NCCC(=O)N1CC(S(=O)(=O)F)C1)c1cccs1	1968218679	YMPWHSYWASLGCP-UHFFFAOYSA-N	320.367	0.378	70	10	DCIE	
Cc1ncnc(N(C)C[C@H]2CN(C)CCO2)c1[B-](F)(F)F	2172772452	NXCDJGDTCANDSI-SNVBAGLBSA-N	303.117	0.606	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2[C@H]3COC[C@H]2C3)cc1	2198726280	JVHJUEDVJDVEOE-RKDXNWHRSA-N	321.351	0.507	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2O[C@H]3C=C[C@H]2C3)c1	2199147431	RMOLLHYUULHLRX-IUCAKERBSA-N	319.335	0.978	70	10	DCIE	
CCOC(=O)N(CCN)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	217286307	FWJOKVLVSHGJNB-SNVBAGLBSA-N	314.386	0.513	70	10	DCIE	
O=C(Nc1ccc(S(=O)(=O)F)nc1)[C@H]1CCCS1(=O)=O	2166523386	DHKQWQZBOOXENW-MRVPVSSYSA-N	322.339	0.256	70	10	DCIE	
CCS(=O)(=O)CCN(C)c1ncc([B-](F)(F)F)c(C)n1	2116127439	LVKVHEDZQLQFIV-UHFFFAOYSA-N	310.130	0.710	70	10	DCIE	
CO[C@H]1CCCN(C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	230375132	XAODJLKBLAHJHR-QMMMGPOBSA-N	321.786	0.897	70	10	DCIE	
Cc1cccc(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)c1	2134977956	ZQNJBTZECFOQEU-UHFFFAOYSA-N	307.368	0.915	70	10	DCIE	
Cn1nc(C(=O)Nc2ncc(S(=O)(=O)F)s2)ccc1=O	1534594474	DAQSEXPLPNJIPZ-UHFFFAOYSA-N	318.311	0.147	70	10	DCIE	
O=C(CNC(=O)c1cc2c(s1)CCCC2)NC1(CO)CC1	160261933	JNZKOLAPSAMBNB-UHFFFAOYSA-N	308.403	0.998	70	10	DCIE	
C[C@@H](CNC(=O)c1cccc(-c2ncn[nH]2)c1)N1CCOCC1	159976249	GMYMUZYADZALBG-LBPRGKRZSA-N	315.377	0.922	70	10	DCIE	
CCc1nc(NS(N)(=O)=O)sc1S(=O)(=O)Cl	1939155393	IGBAFKKFKAINPX-UHFFFAOYSA-N	305.790	0.248	70	10	DCIE	
Cn1c([C@H]2C[C@@H]2Br)nnc1S(=O)(=O)Cl	1893036282	OPRAHKKJPMRSOX-IMJSIDKUSA-N	300.565	0.993	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)c1S(=O)(=O)Cl	250995978	UGGQRRFOMNZQCM-BWZBUEFSSA-N	319.770	0.695	70	10	DCIE	
NC(=O)c1cccc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)c1	2144733274	OHBBNTLYHHYRPV-JTQLQIEISA-N	300.311	0.299	70	10	DCIE	
Cc1csc(=O)n1CC(=O)N1CCC(S(=O)(=O)F)CC1	2144734191	YCNAVZNHDMVGMC-UHFFFAOYSA-N	322.383	0.509	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1C[C@@H]2OCCO[C@@H]2C1	2149759479	AFWJFYDFYNMTPQ-AOOOYVTPSA-N	320.754	0.182	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NCCCS(C)(=O)=O)c1F	159488616	WTXCPCZBGWYPGA-UHFFFAOYSA-N	324.399	0.429	70	10	DCIE	
Nc1n[nH]cc1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	160343645	WZQXXVZQUKHIFA-SKDRFNHKSA-N	300.384	0.308	70	10	DCIE	
COc1nc(N2C[C@@H](N(C)C)[C@H](C)C2)ncc1[B-](F)(F)F	2172764907	KAFJYCPIQWWIEX-PSASIEDQSA-N	303.117	0.926	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C[C@]2(C)C(F)F)[nH]1	2177452934	VXSSWLRORVMQKQ-FWOIEVBISA-N	311.285	0.730	70	10	DCIE	
COC[C@@H](C)S(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2110214325	DXCRPILNCYFRJB-SSDOTTSWSA-N	312.344	0.516	70	10	DCIE	
C#CCN(OC)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	2270645108	USOLFEPDXJBHSZ-UHFFFAOYSA-N	307.324	0.530	70	10	DCIE	
CCc1[nH]nc(C(=O)N(CC)C2COC2)c1S(=O)(=O)Cl	1915636753	MRYPNLNPNURBBR-UHFFFAOYSA-N	321.786	0.761	70	10	DCIE	
CN(C)CCCNS(=O)(=O)c1ccc(OCCN)cc1	217431875	QGRGLGVWOARLCP-UHFFFAOYSA-N	301.412	0.254	70	10	DCIE	
CCC(=O)NC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1689616522	YKDKCGHVGCMAQZ-UHFFFAOYSA-N	317.342	0.462	70	10	DCIE	
CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@H](N(C)C)C2)c1CC	160450337	ZVNOOVMGMMJYNT-NSHDSACASA-N	321.425	0.740	70	10	DCIE	
N[C@H]1CCC[C@H](NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1	160888834	ZGJLZAQSXAETJO-QWRGUYRKSA-N	316.361	0.076	70	10	DCIE	
CO[C@]1(CNc2cc(N)cc(S(N)(=O)=O)c2C)CCOC1	159976425	QEQLZGAQBBHHON-ZDUSSCGKSA-N	315.395	0.442	70	10	DCIE	
CN(C)C1(CNC[C@H](O)COc2cnsn2)CCCC1	160917819	GQLWNELSKCZTQO-NSHDSACASA-N	300.428	0.742	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1C[C@H]2[C@@H](C1)OCCN2C	2172790468	SXZKOLOKKPYLMI-NWDGAFQWSA-N	300.113	0.964	70	10	DCIE	
Cc1cc(C(=O)O)cc(S(=O)(=O)F)c1OCCC(N)=O	2191433485	YXNOTUJWJOTLRA-UHFFFAOYSA-N	305.283	0.606	70	10	DCIE	
CC1(C)C[C@@H](S(C)(=O)=O)CN1CCCS(=O)(=O)Cl	2059345501	YAERRQYRQVGKSQ-SECBINFHSA-N	317.860	0.843	70	10	DCIE	
COC(C)(C)CS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2088705109	ADAYLALAFZKJME-VIFPVBQESA-N	317.404	0.505	70	10	DCIE	
COc1nn(C[C@H]2CCOC2)c(OC)c1S(=O)(=O)Cl	2093415746	QNVIQGALJBSRLP-SSDOTTSWSA-N	310.759	0.864	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)C[C@@H]2CC[C@@H](F)C2)C1	2093987368	YBXBYPCADYKRSN-OPRDCNLKSA-N	317.379	0.828	70	10	DCIE	
Cc1ncc([B-](F)(F)F)cc1O[C@H]1CCN(S(C)(=O)=O)C1	2280027935	SFMQXRWCCGYAFP-JTQLQIEISA-N	323.125	0.857	70	10	DCIE	
COCCn1c(-c2csnn2)nnc1S(=O)(=O)Cl	227582935	XYFLMCDHXZLJBW-UHFFFAOYSA-N	309.760	0.371	70	10	DCIE	
COC(=O)CCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347189457	UQBNOPQJRFRFBQ-UHFFFAOYSA-N	306.315	0.746	70	10	DCIE	
COCCn1ncc(N[C@H]2CCN(C)C2=O)c(Cl)c1=O	217505200	XPKSMRXGXMKLMI-QMMMGPOBSA-N	300.746	0.186	70	10	DCIE	
Cc1nc(C)c(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)o1	1923173467	HUYGGSMYPDNTKK-UHFFFAOYSA-N	302.287	0.357	70	10	DCIE	
CCNS(=O)(=O)c1ccc(NCCNC(=O)N(C)C)cc1	161065682	HAEAJDPOVUTIJQ-UHFFFAOYSA-N	314.411	0.668	70	10	DCIE	
Cc1nnc2cc(-c3nnc(S(=O)(=O)Cl)n3C)ccn12	2188089563	SYOFTNHAYMUVFX-UHFFFAOYSA-N	312.742	0.761	70	10	DCIE	
COCCn1c(C2(COC)CC2)nnc1S(=O)(=O)Cl	2101806292	BSFHGGQYVVRLLS-UHFFFAOYSA-N	309.775	0.530	70	10	DCIE	
O=C(COCC(F)(F)F)N1CCC(S(=O)(=O)F)CC1	2088468972	IHGLELQFZYFZOL-UHFFFAOYSA-N	307.265	0.856	70	10	DCIE	
COc1ccnc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1	2287070934	WBHXUABLJJLNGH-MRVPVSSYSA-N	303.315	0.109	70	10	DCIE	
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([B-](F)(F)F)C1	2342470828	LXHZVDDRYUKNGC-RKDXNWHRSA-N	313.130	0.860	70	10	DCIE	
CNC(=O)[C@@H](C)n1nc([N+](=O)[O-])c(S(=O)(=O)Cl)c1C	305959242	IRBSADQEDCSUIV-RXMQYKEDSA-N	310.719	0.334	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1Cc1ccn(C)n1	380400684	DHAMZMYHBMNYFQ-UHFFFAOYSA-N	319.730	0.809	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CCOCC2)s1	675065555	KHBKNTFZHONIHK-UHFFFAOYSA-N	315.369	0.427	70	10	DCIE	
CCN(CCNCCCO)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1273610421	LTNFSBKADBBDDR-UHFFFAOYSA-N	321.374	0.107	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@@H]2CCCO2)c1S(=O)(=O)Cl	115783588	YKRNJUMYLXYEBW-ZETCQYMHSA-N	321.786	0.808	70	10	DCIE	
COC(=O)c1nc[nH]c1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1544585237	UWXHUNIRQUEBKW-UHFFFAOYSA-N	316.270	0.435	70	10	DCIE	
COc1ccc(NC(=O)[C@H]2OCC[C@H]2C)cc1S(N)(=O)=O	160251091	VCHVBUIVQDBJMV-PELKAZGASA-N	314.363	0.706	70	10	DCIE	
CCc1n[nH]c(=O)c(CNC(=O)N(C)[C@H]2CCOC2)c1CC	160285426	VNSGMOYREUVHCU-JTQLQIEISA-N	308.382	0.825	70	10	DCIE	
CCNC[C@@H]1COCCN1C1=NS(=O)(=O)c2ccccc21	160413218	WDWJLPFIMQXZFE-LLVKDONJSA-N	309.391	0.446	70	10	DCIE	
COC(=O)Cn1ncc(N[C@@H]2CCC[C@@H]2CN)c(Cl)c1=O	159639036	JGDYNTZBMFTLEJ-RKDXNWHRSA-N	314.773	0.609	70	10	DCIE	
COc1cc(N)cc(-c2nnnn2CCCS(C)(=O)=O)c1	159857308	IEKFOTAFNKJPOS-UHFFFAOYSA-N	311.367	0.366	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cc(Cl)ccc1O	1974060923	YTRQKTLBWJAMBK-UHFFFAOYSA-N	322.745	0.922	70	10	DCIE	
O=C1CC[C@H]1CS(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2178174675	ZAUHLBRUOCUWTI-ZETCQYMHSA-N	322.339	0.461	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2CO[C@H]3C[C@@H]2C3)c1S(=O)(=O)Cl	2183066605	LCJSFKJZFYZZMQ-RNJXMRFFSA-N	319.770	0.553	70	10	DCIE	
CNC(=O)COc1c(C)cc([N+](=O)[O-])cc1S(=O)(=O)F	2191435370	VQNXQJWIXCNINS-UHFFFAOYSA-N	306.271	0.686	70	10	DCIE	
CO[C@H]1C[C@H](C(=O)N2CC(CS(=O)(=O)F)C2)C12CCC2	2199691512	BDPYDUGCMLGNQM-MNOVXSKESA-N	305.371	0.949	70	10	DCIE	
COc1cc(-c2nc(S(=O)(=O)Cl)n[nH]2)cc(OC)n1	2110628115	IHZSBMXILLQOOI-UHFFFAOYSA-N	304.715	0.811	70	10	DCIE	
CC(C)(C)CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2258984628	BLHWSBRHNUBVDK-MRVPVSSYSA-N	302.393	0.241	70	10	DCIE	
CN(c1ncncc1[B-](F)(F)F)[C@H]1CC[C@H](S(C)(=O)=O)C1	2361699369	XRWUKJSAXLLWAE-IUCAKERBSA-N	322.141	0.933	70	10	DCIE	
CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@@H](N)CC(C)C	217843632	NQKUSQTUTOSHNF-NWDGAFQWSA-N	321.443	0.222	70	10	DCIE	
CC(C)N1C[C@@H](NC(=O)NCc2cccc(CN)c2)CC1=O	217288357	ZWRYWCRBGRGMQI-AWEZNQCLSA-N	304.394	0.954	70	10	DCIE	
CN(CC1(S(C)(=O)=O)CC1)c1ncc([B-](F)(F)F)cn1	2116145938	PLHLWASKAZURJB-UHFFFAOYSA-N	308.114	0.544	70	10	DCIE	
O=C(Cn1c(=O)cc[nH]c1=O)Nc1ccc(Br)cc1	217457670	SRXMHEJCTYBGFG-UHFFFAOYSA-N	324.134	0.938	70	10	DCIE	
CC(C)CN(CCN(C)C)C(=O)N[C@H]1CCc2ncnn2C1	161174900	FXZUBCHEIJIGDV-ZDUSSCGKSA-N	308.430	0.822	70	10	DCIE	
CCNc1nnc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)s1	160184801	JHCHVKXFWQUHLR-JTQLQIEISA-N	304.397	0.277	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CCC[C@@H]1CCOC1	401120843	LJVWZAPWAUDXBO-MRVPVSSYSA-N	322.770	0.693	70	10	DCIE	
COCCn1c([C@H]2COC[C@@H]2C)nnc1S(=O)(=O)Cl	705143523	HDYKEDHZMXDPPY-YUMQZZPRSA-N	309.775	0.602	70	10	DCIE	
CCOc1cnc(S(=O)(=O)CCS(=O)(=O)Cl)nc1	2046966911	IVRCLEXBWFJODF-UHFFFAOYSA-N	314.772	0.218	70	10	DCIE	
CO[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2287065722	PURATIOJSDLSNX-GMTAPVOTSA-N	308.375	0.596	70	10	DCIE	
CCN(C(=O)c1cc(N)cc(OC)c1)[C@H]1CCS(=O)(=O)C1	159658363	IFWIJRRIOOADPZ-LBPRGKRZSA-N	312.391	0.927	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1CCCCCC(=O)OCC	160035981	CIDORTGXVQFAAC-CYBMUJFWSA-N	300.399	0.947	70	10	DCIE	
COc1cc(N)ccc1S(=O)(=O)N1CCC(C)(O)CC1	160356637	XZUMDOMOLBLTDR-UHFFFAOYSA-N	300.380	0.813	70	10	DCIE	
O=C(NCc1cccc(Br)c1)N(CCO)CCO	217314977	DEKUCYMJQACDHU-UHFFFAOYSA-N	317.183	0.945	70	10	DCIE	
CC(C)(C)C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218622734	XMTRDUAKIKGPSQ-UHFFFAOYSA-N	315.381	0.752	70	10	DCIE	
CCCn1c(-c2cc[nH]c(=O)c2)nnc1S(=O)(=O)Cl	233408452	KSWQJDBHNQYFGS-UHFFFAOYSA-N	302.743	0.971	70	10	DCIE	
CC#CCN[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1731486307	NTVOYOIZBHUADC-AOOOYVTPSA-N	313.354	0.547	70	10	DCIE	
O=S(=O)(Cl)CCCCN1CC[C@H]2CS(=O)(=O)C[C@@H]21	2033839400	UTAKVHSTIGQWPE-UWVGGRQHSA-N	315.844	0.454	70	10	DCIE	
C=C1CON(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	2093181589	XKQOGUGGYCALEQ-UHFFFAOYSA-N	307.324	0.837	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCc1nccn1C	2182345464	ZEAALXOUDGZUBD-UHFFFAOYSA-N	318.786	0.933	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1csc(C(F)F)n1	2268806432	CDPFTHKFNGLWFL-UHFFFAOYSA-N	315.298	0.709	70	10	DCIE	
C[C@H]1O[C@@]2(C(=O)N[C@H]3CCN(S(=O)(=O)F)C3)CC[C@H]1C2	2287073210	SBSHSKDFOWUKGZ-WDCWCFNPSA-N	306.359	0.349	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cccc(O)c1O	2287074599	HINDOKFOFBAFQR-ZETCQYMHSA-N	304.299	0.116	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCN(C(C)C)CC2)cc1N	159577927	GYQBOEPXPNQCCV-UHFFFAOYSA-N	312.439	0.707	70	10	DCIE	
COc1c(F)cc(C(=O)NC[C@H]2C[C@@H]2C)cc1S(N)(=O)=O	160323269	YKCAZCHQVHGQOD-IONNQARKSA-N	316.354	0.868	70	10	DCIE	
O=C(N[C@@H]1CCc2ncnn2C1)N1CCC(C2OCCO2)CC1	161254179	ZHJIMGZGMHPHPP-GFCCVEGCSA-N	321.381	0.387	70	10	DCIE	
CCNC(=O)CCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215916970	MUUCTJGBPZENCO-UHFFFAOYSA-N	310.719	0.245	70	10	DCIE	
CS(=O)(=O)CC[C@H](N)C(=O)N1CCC[C@@H]2CCCC[C@H]21	218011071	SZYKGLSDBUXSJG-RWMBFGLXSA-N	302.440	0.930	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2CCO[C@@H]2C)c1S(=O)(=O)Cl	235622434	JZNXRCHQXOBXSB-SFYZADRCSA-N	321.786	0.800	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2COC[C@H]2F)c1S(=O)(=O)Cl	1875999987	NGGMIWBTXQYUID-PHDIDXHHSA-N	311.722	0.112	70	10	DCIE	
O=C([C@@H]1C[C@@H]1Br)N1CC(CCS(=O)(=O)F)C1	1897395921	QFBYETKQMBLAAD-SFYZADRCSA-N	314.176	0.918	70	10	DCIE	
C[C@@H](CCCN1C[C@H]2C[C@H]1CS2(=O)=O)S(=O)(=O)Cl	2037940462	XQHPSDDYLIPDGE-LPEHRKFASA-N	315.844	0.595	70	10	DCIE	
CC1(C)CCCN(S(=O)(=O)N2CC(S(=O)(=O)F)C2)C1	2134970831	GBVCVCGRUSSWPJ-UHFFFAOYSA-N	314.404	0.337	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)[C@H]2CCC[C@H]2F)C1	2134974681	IXPYYGJFKHUJJI-ZJUUUORDSA-N	317.379	0.828	70	10	DCIE	
O=C(c1cc(Cl)ncn1)N1CC(CCS(=O)(=O)F)C1	2134979826	WHCFGVSLURGMQD-UHFFFAOYSA-N	307.734	0.891	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1C[C@@H]1C1CC1	2135229377	LJPBCCBUDAXXQW-HTQZYQBOSA-N	304.755	0.923	70	10	DCIE	
O=C(Cc1cn2ccsc2n1)N1CC[C@H](S(=O)(=O)F)C1	2144732513	GRJWLYFWWOFQQJ-VIFPVBQESA-N	317.367	0.839	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CCCCN1c1ncncc1[B-](F)(F)F	2172773495	CAJQCMZOPNCEGB-VIFPVBQESA-N	322.141	0.935	70	10	DCIE	
Cc1nccn1[C@H](C)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287075758	ORWOWIQGPOMJKA-SCZZXKLOSA-N	304.347	0.157	70	10	DCIE	
O=S(=O)(Cc1ccccc1)N[C@@H]1CCN(S(=O)(=O)F)C1	2287088888	FTQYUOTVPDTMGE-LLVKDONJSA-N	322.383	0.395	70	10	DCIE	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C[C@H]2S(=O)(=O)Cl	100484852	OMOACBMXFQZECR-MRVPVSSYSA-N	311.724	0.992	70	10	DCIE	
O=C(NCCOCCO)N[C@H]1CC(=O)N(Cc2ccccc2)C1	217287024	KTVIZSOBHAQXOZ-AWEZNQCLSA-N	321.377	0.096	70	10	DCIE	
COc1ncccc1C(=O)NC[C@H](O)Cn1ccccc1=O	218399747	SRRBLCPFKCHIKK-NSHDSACASA-N	303.318	0.043	70	10	DCIE	
O=C(NC[C@@H](O)Cn1ccccc1=O)c1cc2ccccn2c1	218440849	SFKILCSXESPSJZ-OAHLLOKOSA-N	311.341	0.892	70	10	DCIE	
O=C1C[C@@]2(CCCS(=O)(=O)CC2)N1S(=O)(=O)Cl	822189950	TWZCEJNEGBQJLJ-QMMMGPOBSA-N	301.773	0.040	70	10	DCIE	
Cn1ncnc1C[S@@](=O)Cc1ccc(S(=O)(=O)F)cc1	857213782	LWLHBBRMAFELMK-IBGZPJMESA-N	317.367	0.922	70	10	DCIE	
Cn1cc(S(=O)(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)nn1	1879789825	VVZHNDJKUVZMTG-VXNVDRBHSA-N	309.102	0.817	70	10	DCIE	
C[C@@H](CN(C)CC#N)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1498387766	XBZYDXFCPTXVSF-QMMMGPOBSA-N	302.331	0.247	70	10	DCIE	
O=C1CC[C@H]2CN(C(=O)CCN3CCSC3=O)CC[C@H]2N1	160596193	YUYRTJRPIDJZEU-WDEREUQCSA-N	311.407	0.672	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@@H]2CN3CCC2CC3)cc1N	159559157	FUFRKDYKUWQSAW-CYBMUJFWSA-N	310.423	0.683	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)Cc2ccccc2)C1	2134976601	JTYARJIJQISQRG-UHFFFAOYSA-N	307.368	0.748	70	10	DCIE	
COc1ccc(C(=O)N2CC(S(=O)(=O)F)C2)cc1OC	1968217371	KJYHXNGSPMLBQA-UHFFFAOYSA-N	303.311	0.828	70	10	DCIE	
N[C@H]1CCCCC[C@H]1Nc1cnn(CCO)c(=O)c1Cl	159363038	QBQFLFYXLDJYBP-VHSXEESVSA-N	300.790	0.961	70	10	DCIE	
CCn1c([C@H]2CCc3nncn3C2)nnc1S(=O)(=O)Cl	2159910231	PUUGMQSDYQMTIQ-ZETCQYMHSA-N	316.774	0.547	70	10	DCIE	
CO[C@]1(C)C[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	694438493	NLWSMKXXWRUZAK-GXSJLCMTSA-N	306.771	0.860	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)CCC(F)(F)F)C1	2079000698	IWVZNVKNICLAAC-UHFFFAOYSA-N	313.294	0.500	70	10	DCIE	
C[C@@H](CNC(=O)C1CC1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1284189836	BTJMMTNRPCVCSX-ZETCQYMHSA-N	317.342	0.317	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@](O)(C(F)F)C1	1520006674	KCCRRZBCWKANGF-JTQLQIEISA-N	312.269	0.515	70	10	DCIE	
CC[C@H](N)[C@H](N1CCOC[C@@H]1C(=O)NC(C)C)C(F)(F)F	159428570	IVPHHKBMDJAMMC-AXFHLTTASA-N	311.348	0.880	70	10	DCIE	
COc1cc(CN)ccc1S(=O)(=O)NCCCN(C)C	217477101	MHJJPMXZVOHANC-UHFFFAOYSA-N	301.412	0.384	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C[C@@H]2C[C@H]2CO1	1974395008	SQZIYCCOELTSSK-QXEWZRGKSA-N	306.359	0.206	70	10	DCIE	
O=C1CN(c2ccc(CS(=O)(=O)Cl)cc2)C(=O)CN1	258685621	IHAPSRNGVTXSHA-UHFFFAOYSA-N	302.739	0.218	70	10	DCIE	
Cc1ccnc(S(=O)(=O)CCS(=O)(=O)Cl)c1F	2016649778	NLYBEFKQSDGZGD-UHFFFAOYSA-N	301.748	0.871	70	10	DCIE	
CCCn1c([C@@H]2CCS2(=O)=O)nnc1S(=O)(=O)Cl	2033313935	TXNPLEPMBJKTDI-LURJTMIESA-N	313.788	0.475	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CCOC1CCCC1	701401575	RZAIYSVRMPGSCK-UHFFFAOYSA-N	322.770	0.836	70	10	DCIE	
CN(CC1(F)COCCOC1)c1ncncc1[B-](F)(F)F	2187208657	QQQBSQQTXKULSN-UHFFFAOYSA-N	308.064	0.722	70	10	DCIE	
O=C(C[C@@H]1C[C@@H]1C(F)(F)F)N[C@H]1CCN(S(=O)(=O)F)C1	2287074216	CHNVHCMRSREFOU-FXQIFTODSA-N	318.292	0.980	70	10	DCIE	
CC1(C)OC[C@H]2C[C@@]21NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1348817107	JGLGZMAQNHNZOK-JMCQJSRRSA-N	302.327	0.970	70	10	DCIE	
C[C@H](CS(C)(=O)=O)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C	160580901	UBDSMFSOOFCEHA-NJBDSQKTSA-N	318.439	0.068	70	10	DCIE	
CCCn1cc(S(=O)(=O)NCCNC(=O)C2CC2)nc1C	160916042	SLPFKFKGOVAROS-UHFFFAOYSA-N	314.411	0.406	70	10	DCIE	
CNC(=O)[C@H]1COCCN1Cc1cc(C(N)=S)ccc1F	159817681	SLBAWOZAFONDOA-GFCCVEGCSA-N	311.382	0.407	70	10	DCIE	
CNS(=O)(=O)c1ccc(NC[C@@H]2CCC[C@@H]2CO)cc1N	159645146	MWMZUOAOIJTFPY-WDEREUQCSA-N	313.423	0.997	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@]2(C)CCCOC2)c1S(=O)(=O)Cl	235848173	XTIHEXRJBVVSIG-LLVKDONJSA-N	321.786	0.945	70	10	DCIE	
Cc1nn(C)c(Cl)c1C=CC(=O)N1CC(S(=O)(=O)F)C1	1968215778	MKLVOFFAQFLLDP-UHFFFAOYSA-N	321.761	0.905	70	10	DCIE	
CC(C)N1C[C@@H](C(=O)N2CC[C@H](S(=O)(=O)F)C2)CC1=O	2144733032	LTYNSHRASGMXNK-UWVGGRQHSA-N	306.359	0.144	70	10	DCIE	
C[C@H]1CC[C@@H](CC(=O)Nc2nn(C)cc2S(=O)(=O)F)O1	2161089593	PRWYIRQLRIOXTL-YUMQZZPRSA-N	305.331	0.974	70	10	DCIE	
CC1(C)OCCO[C@@H]1C(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2186788879	NTMIAJSYCAUFDD-NXEZZACHSA-N	309.359	0.471	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1CCOC[C@@H]1F	2186742293	ICPMRAFCRSRARE-IUCAKERBSA-N	324.761	0.809	70	10	DCIE	
CC(C)c1nc(C(=O)NC2CN(S(=O)(=O)F)C2)cs1	2268798909	UBHBUKCRLUPLKU-UHFFFAOYSA-N	307.372	0.895	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CCCCC1(F)F	2268803369	FIZMGUDTXVMCKI-MRVPVSSYSA-N	300.302	0.827	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)CCn2cncn2)n1	2280629484	AWUSWVDBOHFTSI-UHFFFAOYSA-N	300.073	0.873	70	10	DCIE	
COc1cc(F)cc(C(=O)NC2CN(S(=O)(=O)F)C2)c1	2284150538	KPIWOZLHOIBRFP-UHFFFAOYSA-N	306.290	0.463	70	10	DCIE	
O=C(CC[C@@H]1CCCCO1)N[C@H]1CCN(S(=O)(=O)F)C1	2287077638	WZUXFAODCMVQIF-QWRGUYRKSA-N	308.375	0.741	70	10	DCIE	
CCNCCCN(C)S(=O)(=O)NC[C@@H]1CCCN1CC	217590875	GCOSAUNSIBJMIH-ZDUSSCGKSA-N	306.476	0.237	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@H]2O3)c1S(=O)(=O)Cl	250995981	UGGQRRFOMNZQCM-GJMOJQLCSA-N	319.770	0.695	70	10	DCIE	
O=S(=O)(F)c1ccccc1NS(=O)(=O)N1CC[C@H](O)C1	1914068103	WMVUVRKYQZGCEE-QMMMGPOBSA-N	324.355	0.068	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)[C@H]2CC2(F)F)C1	2049737853	AXTNROJIIDCNCW-BQBZGAKWSA-N	307.315	0.488	70	10	DCIE	
Cn1c(C[C@H]2CN3CCC2CC3)nnc1S(=O)(=O)Cl	2094948927	HDARNOVNVWSRPH-VIFPVBQESA-N	304.803	0.627	70	10	DCIE	
COc1cccc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)c1O	2144733216	NPHMVSNSEVDCAB-MRVPVSSYSA-N	303.311	0.915	70	10	DCIE	
O=S(=O)(Cl)c1nnc([C@H]2Cc3nncn3C2)n1C1CC1	2167743891	DGUPVAZBGBMNLR-LURJTMIESA-N	314.758	0.472	70	10	DCIE	
O=C([C@@H]1CN2CCN1CC2)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2194130136	NUKTZVOZVLYQLD-MDZLAQPJSA-N	302.129	0.826	70	10	DCIE	
CO[C@@H]1CC(C(=O)N2CC(CS(=O)(=O)F)C2)C[C@H]1OC	2199683245	WFKZKOGCEIXDJZ-GHMZBOCLSA-N	309.359	0.184	70	10	DCIE	
CCCc1nc(C(=O)NC2CN(S(=O)(=O)F)C2)cs1	2268794339	BYNLOIXSGFTTSQ-UHFFFAOYSA-N	307.372	0.724	70	10	DCIE	
NC(=S)c1cccc(N2CCOC[C@@H]2C(=O)NC2CC2)n1	159807900	BCOVEARJMISUQR-LLVKDONJSA-N	306.391	0.200	70	10	DCIE	
C[C@@H]1OCC[C@@H]1N(C)c1nc(Cl)nc(N2CCOCC2)n1	160465184	MNMXLFNIZFBARO-UWVGGRQHSA-N	313.789	0.975	70	10	DCIE	
COC[C@H](O)CCNC(=O)C[C@@H](NC(C)=O)c1ccccc1	160880844	RDECCRSAIAEISW-HUUCEWRRSA-N	308.378	0.768	70	10	DCIE	
C[C@H](C(=O)N(C)C)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215929304	LIKMUZIBKDBQSE-RXMQYKEDSA-N	310.719	0.368	70	10	DCIE	
COc1cccc(/C=C/NC(=O)N2CCN(CCN)CC2)c1	217936614	KMXXNMCTSALHBN-FNORWQNLSA-N	304.394	0.952	70	10	DCIE	
CC(C)C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[C@@H]1CO	218027915	NDQLEUHCRNLAEJ-WOPDTQHZSA-N	306.428	0.228	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1[C@@H](C)C(=O)N(C)C	306019422	TXOBHQRIDDOPQE-LURJTMIESA-N	324.746	0.676	70	10	DCIE	
Cn1ccc(Cc2nnc(S(=O)(=O)Cl)n2C2CC2)n1	709880572	DPYGCRJSOONZDK-UHFFFAOYSA-N	301.759	0.865	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](NCCCF)C1	1265446920	SNFBPQKGHXCIGL-VIFPVBQESA-N	321.349	0.837	70	10	DCIE	
C[C@]1(C(=O)N2CCN(S(=O)(=O)F)CC2)C[C@@H]1C(F)(F)F	1974014558	KEIYKKZTTXTLGG-CBAPKCEASA-N	318.292	0.933	70	10	DCIE	
C[C@H](CCS(C)(=O)=O)N(C)CCCS(=O)(=O)Cl	1997953904	ORUIKSHBMOKRLM-SECBINFHSA-N	305.849	0.700	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ccn2nncc2c1	2066151068	WSUBHTPRZRXYSB-UHFFFAOYSA-N	309.756	0.072	70	10	DCIE	
CCn1c([C@@]2(COC)CCCO2)nnc1S(=O)(=O)Cl	2090725634	NYSVNSRFSNMNGV-JTQLQIEISA-N	309.775	0.878	70	10	DCIE	
CCc1nc(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)co1	2160562225	XRHWQDDUPCDURE-UHFFFAOYSA-N	302.287	0.303	70	10	DCIE	
CN(C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1ncc([B-](F)(F)F)cn1	2174650676	XVXDTGSZKXNQKC-OWUUHHOZSA-N	320.125	0.258	70	10	DCIE	
Cc1nc(N2CCN3CCOC[C@H]3C2)ncc1[B-](F)(F)F	2185883185	WCLCHCUZCDMSGU-SNVBAGLBSA-N	301.101	0.360	70	10	DCIE	
COc1sccc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271494027	GXGIFEXBDPRSLI-ZETCQYMHSA-N	308.356	0.775	70	10	DCIE	
O=C(NC[C@H](O)Cn1ccccc1=O)c1ccc2c(c1)OCO2	218408129	SYEFPAMGTHAHRH-LBPRGKRZSA-N	316.313	0.368	70	10	DCIE	
CCOC(=O)[C@@]12CCCN[C@H]1CCN(c1nccc(OC)n1)C2	216948116	VDQBIBPPTNBWPP-BLLLJJGKSA-N	320.393	0.997	70	10	DCIE	
CC(C)[C@H]1CC[C@H](N)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217972089	DLLWMZIRTNGCRQ-ZNMIVQPWSA-N	317.499	0.963	70	10	DCIE	
CCN1CCO[C@@H](Cn2cc(S(=O)(=O)Cl)nc2C)C1	215832633	HQMUMYBQGLKDDY-SNVBAGLBSA-N	307.803	0.840	70	10	DCIE	
CCNC(=O)C1CN(C(=O)Cc2cccc(OCCOC)c2)C1	160045821	FPNNBJBZQCYDBC-UHFFFAOYSA-N	320.389	0.849	70	10	DCIE	
Cc1ccc(O)c(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)n1	160976466	JSCZXACOAYEZIH-HNNXBMFYSA-N	305.378	0.919	70	10	DCIE	
Cc1c(C(=O)NC[C@H](O)C(C)C)cccc1S(N)(=O)=O	159406546	CJRDGQQOUPSGFJ-NSHDSACASA-N	300.380	0.389	70	10	DCIE	
C[C@@]1(c2ccco2)NC(=O)N(Cc2nnc(NN)s2)C1=O	159686117	FCSSZRGIHWUGFQ-NSHDSACASA-N	308.323	0.384	70	10	DCIE	
CCOc1cc(N)cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1	159708932	OCYZUTUGUAVIPP-AWEZNQCLSA-N	312.391	0.975	70	10	DCIE	
COC[C@@H](N)[C@@H](CO)Sc1ccc(S(C)(=O)=O)cc1	160204674	PCVHGUOJWWKPON-VXGBXAGGSA-N	305.421	0.517	70	10	DCIE	
O=C(c1n[nH]cc1Br)N1CC(S(=O)(=O)F)C1	1992830691	IYQJQWOHRQSTAH-UHFFFAOYSA-N	312.120	0.296	70	10	DCIE	
Cc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1OCCC(N)=O	2155018980	LZMAKAPFELTXQE-UHFFFAOYSA-N	321.738	0.875	70	10	DCIE	
CO[C@]1(C)C[C@@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	694439360	SQGYBCIUNPAUIY-QUBYGPBYSA-N	307.759	0.553	70	10	DCIE	
CN(C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1ccc([B-](F)(F)F)cn1	2174649259	QHQGMOKSLKMSJR-RTCCRHLQSA-N	319.137	0.863	70	10	DCIE	
Cc1c(OCCOCC(N)=O)ccc(S(=O)(=O)F)c1C	2241014443	OJIIGMHKYQGYHJ-UHFFFAOYSA-N	305.327	0.842	70	10	DCIE	
COc1ccc(N)c(C(=O)N2CC[C@H](S(=O)(=O)F)C2)c1	2286910934	XETCTYKQDPKKQI-VIFPVBQESA-N	302.327	0.791	70	10	DCIE	
C[C@]1([B-](F)(F)F)CCN(S(=O)(=O)CCS(C)(=O)=O)C1	2319672566	TVHDLQXXXFQYGX-QMMMGPOBSA-N	322.159	0.674	70	10	DCIE	
C[C@H]1CC2(CC(=O)N2S(=O)(=O)Cl)C[C@H](C)S1(=O)=O	2327577244	JMDHZFRGWZLUCM-BQBZGAKWSA-N	315.800	0.427	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)NCCc2ccccc2O)C[C@@H](C)O1	159656358	CEOBYKJMUHOCQG-TXEJJXNPSA-N	314.407	0.878	70	10	DCIE	
O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NC1(CO)CC1	160246453	FIDRUSWOEPRSKS-HNNXBMFYSA-N	304.390	0.919	70	10	DCIE	
CCNc1nnc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)s1	160749242	VOMIJADAXYYCGA-RKDXNWHRSA-N	309.395	0.711	70	10	DCIE	
CC(C)S(=O)(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1	217042648	WIFHJNOCSPRWBM-STQMWFEESA-N	317.455	0.305	70	10	DCIE	
CC(C)COCCn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	232900988	LCKDULOLQUGMIC-UHFFFAOYSA-N	310.759	0.137	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1CC[S@@](C)=O	400536837	JKFVVGGKDXVMQP-QGZVFWFLSA-N	315.760	0.406	70	10	DCIE	
COCC1(CNC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)CC1	691859174	LCYZOWHFCVONCT-UHFFFAOYSA-N	321.786	0.802	70	10	DCIE	
CONC(=O)CNC(=O)CCc1ccc(S(=O)(=O)F)cc1	1439797741	XWQMORGDVBNBEC-UHFFFAOYSA-N	318.326	0.071	70	10	DCIE	
Cn1cc(-c2nnc(S(=O)(=O)Cl)n2C2CC2)ccc1=O	1915585207	ZOUZWGBVHSJXKD-UHFFFAOYSA-N	314.754	0.906	70	10	DCIE	
COC1(CC(=O)NC2CCN(S(=O)(=O)F)CC2)CCC1	1974394510	JYQQMHAKXUTASS-UHFFFAOYSA-N	308.375	0.741	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)n1	2172764947	KMYZACWQNPZNTP-PSASIEDQSA-N	320.125	0.463	70	10	DCIE	
CO[C@H]1CC[C@@H]1CC(=O)Nc1nn(C)cc1S(=O)(=O)F	2186902994	KQNTWVABMSFULG-SFYZADRCSA-N	305.331	0.832	70	10	DCIE	
Cc1nscc1CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271488079	LMOCCBDAQXACEY-VIFPVBQESA-N	307.372	0.399	70	10	DCIE	
CN(C)S(=O)(=O)[C@@H]1CCN(c2ncncc2[B-](F)(F)F)C1	2279307069	RENYDGAMOWGNSO-MRVPVSSYSA-N	323.129	0.001	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1coc(C(F)F)n1	2287066973	ZMDNQZBCEOQCLS-YFKPBYRVSA-N	313.257	0.631	70	10	DCIE	
O=[N+]([O-])c1ccccc1S(=O)(=O)CCS(=O)(=O)Cl	112084010	WQKQCRTUIYCMKE-UHFFFAOYSA-N	313.740	0.937	70	10	DCIE	
C#CCCNS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1	112095772	ADSDZIMTQUADME-UHFFFAOYSA-N	307.780	0.916	70	10	DCIE	
CS(=O)(=O)CS(=O)(=O)N[C@H]1CCCc2cc(N)ccc21	159459810	FVIGEPNCIAHEGX-LBPRGKRZSA-N	318.420	0.568	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc(C)cc2N)CCOC1	159910981	JYMSAQYJICXLST-CYBMUJFWSA-N	300.380	0.661	70	10	DCIE	
CC1(CNc2cnn(CCO)c(=O)c2Cl)CCNCC1	160023698	JUUZZNWHTNUJHM-UHFFFAOYSA-N	300.790	0.691	70	10	DCIE	
O=C(C[C@@H]1NC(=O)NC1=O)NCCc1cc2ccccc2[nH]1	161446371	UULIMEBZHPNKRQ-LBPRGKRZSA-N	300.318	0.425	70	10	DCIE	
C#CC1(O)CN(c2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)C1	1652302954	BHWGDGSSIGYEJS-UHFFFAOYSA-N	314.294	0.578	70	10	DCIE	
CCN(C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl)C1COC1	1915636900	PFYZIPPEZICLRM-UHFFFAOYSA-N	307.759	0.507	70	10	DCIE	
Cc1nc(CC(=O)NC2CCN(S(=O)(=O)F)CC2)cs1	1974402329	MKUWURXJNPABSD-UHFFFAOYSA-N	321.399	0.789	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)CCN(C)S(C)(=O)=O	2030344825	ZSKNHXQFRQKBNE-UHFFFAOYSA-N	320.864	0.158	70	10	DCIE	
O=S1(=O)CC[C@H]2CN(c3ccc([B-](F)(F)F)cn3)C[C@H]21	2116148838	VVDQQQOCMHZKOL-WCBMZHEXSA-N	305.110	0.759	70	10	DCIE	
O=C([C@H]1CCn2ccnc2C1)N1CC[C@H](S(=O)(=O)F)C1	2165275993	QRAJRUOEJUULFE-UWVGGRQHSA-N	301.343	0.346	70	10	DCIE	
COCCN(c1nc(OC)ccc1[B-](F)(F)F)C1COC1	2280490716	LZRUBPXJCZQWNW-UHFFFAOYSA-N	305.085	0.996	70	10	DCIE	
Cc1nc(O[C@@H]2CCN(S(C)(=O)=O)C2)ccc1[B-](F)(F)F	2285600135	NACVLTCDHUBUCD-SECBINFHSA-N	323.125	0.857	70	10	DCIE	
Nc1cc(F)ccc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287064376	AMCLZDUSRZGIJG-MRVPVSSYSA-N	305.306	0.426	70	10	DCIE	
CCN(CCO)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	217287047	GCEDIJWHLCXVMY-CQSZACIVSA-N	305.378	0.811	70	10	DCIE	
COCCn1c([C@H]2CCO[C@H]2C)nnc1S(=O)(=O)Cl	133335179	VMAWDUSKJIVCCW-YUMQZZPRSA-N	309.775	0.744	70	10	DCIE	
O=S(=O)(Cc1ccccc1)NCC1CN(S(=O)(=O)F)C1	2164437558	NPTIFYQHBPBOCK-UHFFFAOYSA-N	322.383	0.252	70	10	DCIE	
CC(C)S(=O)(=O)CCN(C)c1ncc([B-](F)(F)F)cn1	2116149179	ZXADFALVUKMLHW-UHFFFAOYSA-N	310.130	0.790	70	10	DCIE	
CCC[C@H](C(=O)OCC)N1CCOC[C@@H]1C(=O)NC(C)C	160061458	ZXJQAQMVUJFALJ-CHWSQXEVSA-N	300.399	0.944	70	10	DCIE	
C[C@](O)(Cc1ccccc1F)[C@@]1(CN)CCS(=O)(=O)C1	159416412	TYIYLMBQPKXUJY-UONOGXRCSA-N	301.383	0.883	70	10	DCIE	
CCCCOCCOC[C@H](O)CNCC(=O)NC(C)(C)C	159889251	LXHUHWLZZVVCNW-CYBMUJFWSA-N	304.431	0.685	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(F)cc1	159523518	ACVPTICZMADQBW-GFCCVEGCSA-N	316.354	0.351	70	10	DCIE	
Cc1[nH]nc(C(=O)N2CCC3(COC3)C2)c1S(=O)(=O)Cl	1915563200	KKKBKFGSHILVBX-UHFFFAOYSA-N	319.770	0.508	70	10	DCIE	
C#C[C@@H]1CCN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1965832584	KJYCJCZAQNNNMB-SECBINFHSA-N	303.336	0.741	70	10	DCIE	
CCc1[nH]nc(C(=O)N2CC[C@H](OC)C2)c1S(=O)(=O)Cl	234319654	KZHLWZWYXMVPMH-ZETCQYMHSA-N	321.786	0.761	70	10	DCIE	
CC1(C)C[C@H](CC(=O)NCC2CN(S(=O)(=O)F)C2)CO1	1974055201	NUUDPNZCENQSTN-VIFPVBQESA-N	308.375	0.454	70	10	DCIE	
C[C@@H](O)[C@H](N)CNc1c(Cl)cnn(CC2CCC2)c1=O	159557915	XFIWKFJHFLJTFC-LDYMZIIASA-N	300.790	0.817	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)Cc2ccncc2)C1	2170912574	TYSZKGJHHDNHEH-NSHDSACASA-N	322.383	0.675	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@H]2CCCO[C@H]21	2176539066	OWKDHBHQKHYWBL-FBIMIBRVSA-N	318.782	0.860	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@]12C[C@H](CCO1)C2	2196603857	RURIZULAGXNUGN-WVSHTKLVSA-N	306.359	0.350	70	10	DCIE	
O=C(CN1C(=O)CNC1=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2194122960	DSHVGRKPCPXSHV-HQJQHLMTSA-N	304.057	0.378	70	10	DCIE	
COc1ccc(O)c(C(=O)N2CC(CS(=O)(=O)F)C2)c1	2199689047	ITURCGNSJHKYDE-UHFFFAOYSA-N	303.311	0.772	70	10	DCIE	
Nc1ncccc1C(=O)NC1CCN(S(=O)(=O)F)CC1	2286938460	OEZWDGFQTLKHDN-UHFFFAOYSA-N	302.331	0.072	70	10	DCIE	
C[C@@H]1O[C@H](C)[C@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)[C@H]1C	2287069822	RTEGOHLSGJCYCB-QUARPLMYSA-N	308.375	0.451	70	10	DCIE	
CCC[C@@H](C(=O)N1CCOC[C@@H]1C(=O)NCC)C(N)=S	159774757	YRIDQBFBACQAMY-NXEZZACHSA-N	301.412	0.052	70	10	DCIE	
CCOC(=O)CS(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	160603258	KCAROONAXBMCSW-DGCLKSJQSA-N	305.396	0.506	70	10	DCIE	
Cc1ccc(N)c(C)c1S(=O)(=O)NCCNC(=O)N(C)C	160691238	IQYQCTSUUCNFGF-UHFFFAOYSA-N	314.411	0.435	70	10	DCIE	
O=C(NC[C@@]1(CCO)CCOC1)C(=O)Nc1cccc(F)c1	160898532	QBGVCUHJNKHQAS-OAHLLOKOSA-N	310.325	0.670	70	10	DCIE	
CN[C@@H](c1c(Cl)cnn1CCN(C)C)[C@H]1CN(C)CCO1	161050066	DZBLSQKEKZLYQS-CHWSQXEVSA-N	315.849	0.689	70	10	DCIE	
CN1CCO[C@H](c2noc([C@@]3(C(F)(F)F)CCNC3)n2)C1	217819103	FKOJCMYTYFSAPW-GZMMTYOYSA-N	306.288	0.866	70	10	DCIE	
CP(C)(=O)CCC(=O)NCC1CN(S(=O)(=O)F)C1	2057676124	WHGOYBUDVSALMC-UHFFFAOYSA-N	300.292	0.262	70	10	DCIE	
O=C(Cc1cn2ccsc2n1)N1CC(S(=O)(=O)F)C1	2134976461	JHBSTKFZGWSXAB-UHFFFAOYSA-N	303.340	0.448	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@H]2CCOC[C@@H]21	2150124180	RRXAFEYBJMHBIW-ATZCPNFKSA-N	318.782	0.717	70	10	DCIE	
Cc1ncnc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)c1[B-](F)(F)F	2172758225	MYHDYSSYFIAYEC-RKDXNWHRSA-N	322.141	0.851	70	10	DCIE	
Cc1cnc(N2C[C@@H]3OCCN(C)[C@@H]3C2)c([B-](F)(F)F)c1	2172789357	DWNKRHHOELLXKD-NEPJUHHUSA-N	300.113	0.964	70	10	DCIE	
O=C([C@@H]1CN2CCN1CC2)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2194130134	NUKTZVOZVLYQLD-GMXVVIOVSA-N	302.129	0.826	70	10	DCIE	
O=C(N1CCN(S(=O)(=O)F)CC1)[C@@]12CCC[C@H]1CSC2	2201878076	TXOPRSMFHXMWDX-CMPLNLGQSA-N	322.427	0.878	70	10	DCIE	
CCn1c(C23COC(COC)(C2)C3)nnc1S(=O)(=O)Cl	2206045552	CVEYNIPLRFYZIG-UHFFFAOYSA-N	321.786	0.673	70	10	DCIE	
COc1n[nH]cc1-c1nnc(S(=O)(=O)Cl)n1C1CC1	2268479492	KCAACXKWICJWTB-UHFFFAOYSA-N	303.731	0.939	70	10	DCIE	
O=S(=O)(N1CCC(O)CC1)N1CC[C@@H]([B-](F)(F)F)C1	2319670486	GMHRALFUTDSLQZ-MRVPVSSYSA-N	301.119	0.611	70	10	DCIE	
CC1(C)[C@H]2CO[C@]1(C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)C2	2359849919	MNPOMEARNVCJEX-PTRXPTGYSA-N	306.359	0.206	70	10	DCIE	
Cc1cc(S(=O)(=O)NCC(=O)N[C@@H]2CC[C@@H]2N)ccc1F	217028953	LOKVARUSGYHMQX-NWDGAFQWSA-N	315.370	0.018	70	10	DCIE	
CCOC(=O)CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1	218073489	KJLFWWRYHVTFLT-GHMZBOCLSA-N	302.371	0.509	70	10	DCIE	
C[C@@H]1OCCO[C@@H]1C(=O)Nc1ccc(S(=O)(=O)F)nc1	2166523993	HGBOCOGYNKQSIH-XVKPBYJWSA-N	304.299	0.482	70	10	DCIE	
COCCn1c([C@@H](COC)OC)nnc1S(=O)(=O)Cl	691128705	SKXFXIQXWLDOEH-SSDOTTSWSA-N	313.763	0.186	70	10	DCIE	
C=CCN[C@@H](C)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1331562299	YBYVHBDXBYFGKU-VIFPVBQESA-N	303.359	0.909	70	10	DCIE	
COc1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)ncn1	1458610695	SCNUZXPFCGGGQL-UHFFFAOYSA-N	300.271	0.724	70	10	DCIE	
C[C@@]1(c2nnc(S(=O)(=O)Cl)n2C2CC2)COCCO1	1908588373	VXRFKNURYMIBMG-JTQLQIEISA-N	307.759	0.803	70	10	DCIE	
C#CCCN[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1661652600	CAAFAKWLSUMDRP-AOOOYVTPSA-N	313.354	0.547	70	10	DCIE	
O=C(CNS(=O)(=O)c1ccc(Cl)s1)NC1(CO)CC1	160307986	KTEMPEUNGAIOBB-UHFFFAOYSA-N	324.811	0.321	70	10	DCIE	
COC(=O)Cn1ncc(NCC[C@H]2CCNC2)c(Cl)c1=O	159410687	NJELVSZDXDFSNL-SECBINFHSA-N	314.773	0.481	70	10	DCIE	
CCOc1nc(C(=O)N2CCN(S(=O)(=O)F)CC2)co1	1974014935	ODHYUIABIKECQK-UHFFFAOYSA-N	307.303	0.045	70	10	DCIE	
CN([C@H]1CCOC1)S(=O)(=O)Cc1ccc(C(N)=S)cc1	159446238	VAPPKNVNTVGXDP-LBPRGKRZSA-N	314.432	0.871	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)c2ccns2)C1	2022194870	NSMNKVUPZHCPRI-UHFFFAOYSA-N	300.358	0.063	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)c1cc(F)cc(F)c1	2065845251	SAUYRDPDXWVHQN-UHFFFAOYSA-N	319.738	0.812	70	10	DCIE	
COCCNS(=O)(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2073786050	GYEYSVBNRUQCQP-DTWKUNHWSA-N	301.119	0.781	70	10	DCIE	
Cn1cc([N+](=O)[O-])c(Cn2cc(S(=O)(=O)Cl)cn2)n1	2102872296	HMOQKPSQTWDWEW-UHFFFAOYSA-N	305.703	0.501	70	10	DCIE	
COc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)c(F)c1	2284153318	KKMCQZLIQWKHEA-UHFFFAOYSA-N	306.290	0.463	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C1	2338748887	DKPBDQSLXFEPLH-VHSXEESVSA-N	315.388	0.259	70	10	DCIE	
CC(C)c1[nH]nc(C(=O)N[C@@H]2CCOC2)c1S(=O)(=O)Cl	131885285	WCQGNKYSQQZIEV-SSDOTTSWSA-N	321.786	0.979	70	10	DCIE	
CCNc1nnc(CN2CCSC[C@H]2S(C)(=O)=O)s1	159466034	RPMDOVRTQVXZEJ-SECBINFHSA-N	322.481	0.889	70	10	DCIE	
O=C(/C=C\c1ccc(Br)s1)NC[C@H](O)CO	218214083	CGYOTYWBOYELGQ-ZZZKRKDRSA-N	306.181	0.993	70	10	DCIE	
O=C(NCc1cnc2n1CCC2)c1cc(S(=O)(=O)F)c[nH]1	1177744851	DUWDIPVBEXCGMV-UHFFFAOYSA-N	312.326	0.746	70	10	DCIE	
CC[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC	1521437710	JZCIIEOVLBSTPJ-SSDOTTSWSA-N	306.315	0.602	70	10	DCIE	
Cn1nncc1S(=O)(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	1879786711	CDRGOJSKSXKZLG-VXNVDRBHSA-N	309.102	0.817	70	10	DCIE	
Cc1ccc(S(=O)(=O)Nc2nn(C)cc2S(=O)(=O)F)o1	1923156705	NQOWGWOMXDASTD-UHFFFAOYSA-N	323.327	0.781	70	10	DCIE	
COc1ccc(OCC(=O)N2CC(S(=O)(=O)F)C2)cc1	1968217030	GNXJQVJAEJOTGN-UHFFFAOYSA-N	303.311	0.584	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H](F)C(F)(F)F	1974402629	PKFMMISNYCWVLE-LURJTMIESA-N	310.244	0.682	70	10	DCIE	
CCOC(=O)c1cc(S(C)(=O)=O)cc(S(=O)(=O)F)c1	2089929866	KPAXBLRPIRDAMS-UHFFFAOYSA-N	310.324	0.925	70	10	DCIE	
COc1nn(C[C@@H]2CCOC2)c(OC)c1S(=O)(=O)Cl	2093415747	QNVIQGALJBSRLP-ZETCQYMHSA-N	310.759	0.864	70	10	DCIE	
C[C@@H](CCS(C)(=O)=O)N(C)c1ncc([B-](F)(F)F)cn1	2116138835	RCFLQQSYFCIFBO-QMMMGPOBSA-N	310.130	0.790	70	10	DCIE	
CO[C@]1(C(=O)Nc2ccc(S(=O)(=O)F)nc2)CCOC1	2166523330	DBOBQZNVTTWEIH-LLVKDONJSA-N	304.299	0.484	70	10	DCIE	
CN1CCN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)[C@H]2CC[C@@H]21	2168348739	UQZJYFZEYHXRSK-QWRGUYRKSA-N	317.798	0.861	70	10	DCIE	
CO[C@@H]1COC[C@H]1N(C)c1nc(C)nc(C)c1[B-](F)(F)F	2177283567	NPSXTOCGVMRSGI-NXEZZACHSA-N	304.101	0.998	70	10	DCIE	
C[C@@H](CN(C)C)Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	2224594181	WJALQXKBCXOSPI-ZETCQYMHSA-N	310.763	0.917	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCC(F)(F)C1	2271493048	CPFAPMDGSYWRCI-YUMQZZPRSA-N	300.302	0.827	70	10	DCIE	
Cc1cccc(CCC(=O)NC2CN(S(=O)(=O)F)C2)c1	2284152593	ZSEYRUNUQIDYBU-UHFFFAOYSA-N	300.355	0.942	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cccn1C1CCC1	2284152977	FXMVCFGAURHNFP-UHFFFAOYSA-N	301.343	0.841	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)C12COCC(C1)C2	2288767160	DRKWTLOCUSYOLA-UHFFFAOYSA-N	306.359	0.208	70	10	DCIE	
O=C1CC(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)F)C2)C1	2116699666	WSNWFHMWVIGVPZ-SNVBAGLBSA-N	313.372	0.059	70	10	DCIE	
COC(C)(C)CNC(=O)c1cc(F)cc(S(N)(=O)=O)c1F	161483193	LKEOHOMZWXALRM-UHFFFAOYSA-N	322.333	0.767	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)Cc1ccc(CN)cc1	159869878	NFNJXBQHGMRNFA-UHFFFAOYSA-N	313.423	0.479	70	10	DCIE	
CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(N)cc(C)c1F	159499373	AQUIFGAAAKNLAU-SECBINFHSA-N	317.386	0.909	70	10	DCIE	
NCCS(=O)(=O)NCC1CCN(Cc2ccccc2)CC1	217428946	OUTDJFJJHHXZIX-UHFFFAOYSA-N	311.451	0.777	70	10	DCIE	
CNCc1ccc(F)cc1S(=O)(=O)NCCCN(C)C	217446928	UNPJTBDECJTJKT-UHFFFAOYSA-N	303.403	0.775	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2CCCCO2)c1S(=O)(=O)Cl	115798003	SGQZEJZWKOCDSX-MRVPVSSYSA-N	321.786	0.945	70	10	DCIE	
O=C(Cc1cccc(Cl)c1)NC1CN(S(=O)(=O)F)C1	2268798583	RWIKOGGIRCONOT-UHFFFAOYSA-N	306.746	0.897	70	10	DCIE	
CCSCCCn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	135257688	MQAVDFJZRJHFRJ-UHFFFAOYSA-N	312.800	0.607	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2C[C@@H]3CO[C@H]2C3)c1S(=O)(=O)Cl	2359538254	PVHYUZLNMNMBOP-FXQIFTODSA-N	319.770	0.553	70	10	DCIE	
O=S(=O)(Cl)C[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1	958678125	BLXBHYINTACJEU-IUCAKERBSA-N	302.801	0.539	70	10	DCIE	
C=CCCN[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1266971082	JPZKJSNIEQNGNV-VIFPVBQESA-N	303.359	0.957	70	10	DCIE	
Cc1c(OCC(=O)NC(N)=O)ccc(S(=O)(=O)Cl)c1C	215664749	OBDZCZGCCOSEJU-UHFFFAOYSA-N	320.754	0.805	70	10	DCIE	
CNC(=O)CCCN(C)S(=O)(=O)Cc1cccc(OC)c1	159424439	UPOTWJRLTBCTGG-UHFFFAOYSA-N	314.407	0.983	70	10	DCIE	
CCNC[C@@H]1CCCCN1S(=O)(=O)NCCCN(C)C	217443963	WFXPKQQOHPDMIB-ZDUSSCGKSA-N	306.476	0.237	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)C2CC3(CCC3)C2)C1	2134974590	HREXFUGIVNYYSK-UHFFFAOYSA-N	311.400	0.880	70	10	DCIE	
COc1ccncc1C(=O)N1CCC[C@@H](S(=O)(=O)F)C1	1927202302	MDGHUNCNTKFUCL-SECBINFHSA-N	302.327	0.994	70	10	DCIE	
COCCn1c(CC[C@@H]2CCCO2)nnc1S(=O)(=O)Cl	158077864	BAIWZRSLXHMQSS-VIFPVBQESA-N	323.802	0.964	70	10	DCIE	
CCN(CC)CCOc1ccc(S(=O)(=O)NC)c(N)c1	159666502	LSVWEGGEFQHGSA-UHFFFAOYSA-N	301.412	0.898	70	10	DCIE	
Cc1cc(C(=O)N2CCN(S(=O)(=O)F)CC2)nc(Cl)n1	2163649613	LLEQZPMBBWQCSC-UHFFFAOYSA-N	322.749	0.411	70	10	DCIE	
Cc1oc(C(=O)N[C@H]2COC[C@@H]2F)cc1S(=O)(=O)Cl	1876000494	RZCFFRNSRNZKLO-BQBZGAKWSA-N	311.718	0.982	70	10	DCIE	
O=C(NCC1CCC(O)CC1)c1cc(S(=O)(=O)F)c[nH]1	1263854933	UXAQNKWJYHXIMD-UHFFFAOYSA-N	304.343	0.954	70	10	DCIE	
Cn1ccnc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O	1523727264	IHOGSWHASUHOIC-UHFFFAOYSA-N	311.294	0.691	70	10	DCIE	
C[C@H]1CN(c2ncc([B-](F)(F)F)cn2)C[C@@H](C)S1(=O)=O	2116144926	LTXOEWZIYHYKGB-OCAPTIKFSA-N	308.114	0.543	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@H]2CCN(C3CC3)C2)cc1N	159607730	BNAXFLKYZBTWMF-NSHDSACASA-N	310.423	0.826	70	10	DCIE	
COCCn1ncc(N2C[C@H](C)N[C@@H](C)C2)c(Cl)c1=O	159452499	NUXUAFKOUOAZQS-UWVGGRQHSA-N	300.790	0.730	70	10	DCIE	
CC1(O)CCN(S(=O)(=O)c2cccc(C(N)=S)c2)CC1	160753187	RUBHPOCDQPNXDD-UHFFFAOYSA-N	314.432	0.856	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)n1	2172765927	YKCQLCAVCXNUBY-IUCAKERBSA-N	320.125	0.320	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CCS(=O)(=O)C[C@@H]2C)n1	2280641446	OFAVWWPWGUCURM-QMMMGPOBSA-N	323.125	0.768	70	10	DCIE	
C[C@H](CS(C)(=O)=O)CS(=O)(=O)c1n[nH]c(C2CC2)n1	160363825	PMHAOSAMQFJRKH-SSDOTTSWSA-N	307.397	0.137	70	10	DCIE	
Cc1nc2ccccn2c1CN1CC[C@@H](NS(C)(=O)=O)C1	160482941	VUHZBMHQDXLARD-GFCCVEGCSA-N	308.407	0.766	70	10	DCIE	
O=C(NC[C@@H](O)c1cccc(F)c1)N[C@@H]1CCc2ncnn2C1	161024332	GXUHUEHWFVMXLF-CHWSQXEVSA-N	319.340	0.765	70	10	DCIE	
CC(C)(C)C(=O)N1CCC(CN2CCOC[C@H]2C(N)=O)CC1	161376190	DWGLFAHELHNVHS-ZDUSSCGKSA-N	311.426	0.457	70	10	DCIE	
Cc1c(N)cc(CN2CCNCC2)cc1OS(=O)(=O)F	1887510745	WULALTMKVSTPTC-UHFFFAOYSA-N	303.359	0.576	70	10	DCIE	
C[C@@H]1C[C@@H](CC(=O)NC2CCN(S(=O)(=O)F)CC2)CO1	2169027749	YCRWIWIYFGKUQH-ZJUUUORDSA-N	308.375	0.596	70	10	DCIE	
COCCN(C(=O)c1cc(S(=O)(=O)Cl)c[nH]1)C1COC1	2193692469	ZFFMWIWXKMWWKR-UHFFFAOYSA-N	322.770	0.430	70	10	DCIE	
C[C@H]1C[C@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C[C@@H](C)O1	2287063816	USDGLFDFUFOFNN-VLEAKVRGSA-N	308.375	0.595	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1c(F)cncc1F	2287078915	JUPCUFDGOMHFIP-LURJTMIESA-N	309.269	0.378	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cn1)[C@@H]1CC[C@H](S(C)(=O)=O)C1	2361708125	HALRKWSSKFGRQB-ZJUUUORDSA-N	322.141	0.933	70	10	DCIE	
CO[C@H]1CC[C@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	724420288	RMFLKDZECPLQBJ-RQJHMYQMSA-N	307.759	0.553	70	10	DCIE	
Cn1cc(S(=O)(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)nn1	1879789822	VVZHNDJKUVZMTG-APPZFPTMSA-N	309.102	0.817	70	10	DCIE	
CCn1ncc(C(=O)Nc2ncc(S(=O)(=O)F)s2)n1	1530975490	MZUDAHBGPYWQLR-UHFFFAOYSA-N	305.316	0.665	70	10	DCIE	
O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H](c1ccco1)N1CCCC1	160397318	LIGLLJQHZQYIMI-WDEREUQCSA-N	320.349	0.131	70	10	DCIE	
CCn1nnc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)c1C	1923533317	MHPWHOKYZXISSS-VIFPVBQESA-N	304.347	0.510	70	10	DCIE	
COC1(CNC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)CCC1	234703920	LUOBETDHLRMTBL-UHFFFAOYSA-N	321.786	0.945	70	10	DCIE	
CCC(CC)(C(=O)N1CCOC[C@H]1C(=O)NC)C(N)=S	159775552	RNDXDYCYVVYDHJ-VIFPVBQESA-N	301.412	0.052	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nnc(C2CC2)s1	2025024411	UAIXZBRFRPEIQM-UHFFFAOYSA-N	316.813	0.758	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cccn1C1CC1	2164430838	KVJCWMPPPJGTFZ-UHFFFAOYSA-N	301.343	0.699	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1[C@@H]1COC[C@@H]1OC	2182344497	QJPNAOJNVSOJKO-BDAKNGLRSA-N	324.786	0.933	70	10	DCIE	
C[C@]1(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)CCCO1	2096619053	WDEBWEXPNNULQF-SNVBAGLBSA-N	308.743	0.446	70	10	DCIE	
Cn1nc(C(F)F)nc1S(=O)(=O)CCS(=O)(=O)Cl	2223083337	OJZZUMPREBVSGF-UHFFFAOYSA-N	323.730	0.095	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccc(O)cc1F	2287067725	IDJJRDVBNHFVGM-ZETCQYMHSA-N	306.290	0.550	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N2CCNC(=O)[C@@H]2C)c1F	159521438	XFHVIVMOPVQWGE-QMMMGPOBSA-N	301.343	0.225	70	10	DCIE	
C[C@@H]1Cc2cc(S(=O)(=O)N[C@H]3CCC(=O)N(C)C3)ccc2O1	160084134	PIIRZJDVVFOPSS-PWSUYJOCSA-N	324.402	0.909	70	10	DCIE	
NCCNC(=O)[C@@H]1CCCN(c2nnc(C(F)(F)F)s2)C1	160366123	PRXMQGQLXVAHAO-SSDOTTSWSA-N	323.344	0.848	70	10	DCIE	
O=C1OCCN1CCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	403248956	GTJPNUWGYBNMJV-UHFFFAOYSA-N	324.702	0.171	70	10	DCIE	
COCCN[C@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1731735096	DOQLWMPGAKHIPB-SECBINFHSA-N	321.374	0.417	70	10	DCIE	
Cc1ccc(O)cc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974054732	HTMSGKQIDLXAAB-UHFFFAOYSA-N	302.327	0.577	70	10	DCIE	
Cc1cnsc1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974395058	UMTKCPBCDIDQQI-UHFFFAOYSA-N	307.372	0.860	70	10	DCIE	
CS(=O)(=O)CC[C@H]1OC2CC1(CS(=O)(=O)Cl)C2	1998873725	DABAEVXQWPDJQL-QJAFJHJLSA-N	302.801	0.537	70	10	DCIE	
CN(CCN(C)S(C)(=O)=O)c1ncccc1[B-](F)(F)F	2116148427	PRDBTGKGYACTAN-UHFFFAOYSA-N	310.130	0.464	70	10	DCIE	
CO[C@H]1COC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)c(C)o1	2177286584	ZSVCGHSFKWVVLV-CBAPKCEASA-N	323.754	0.659	70	10	DCIE	
O=C([C@H]1CC12CC(F)(F)C2)N1CCN(S(=O)(=O)F)CC1	2189408111	FROUFULLKASPKV-MRVPVSSYSA-N	312.313	0.780	70	10	DCIE	
COc1ncccc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287077037	UZOCAALLRVUGMI-QMMMGPOBSA-N	303.315	0.109	70	10	DCIE	
CS[C@H]1C[C@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)C1	2335874550	FPCIOZFADUEPIB-CZMCAQCFSA-N	310.416	0.923	70	10	DCIE	
C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC	1262788300	YFWXNFZBHYXPHB-JTQLQIEISA-N	318.326	0.911	70	10	DCIE	
C[C@H]1[C@@H](C)N(c2ncncc2[B-](F)(F)F)CCS1(=O)=O	2116144579	GDJFZKDDLSKWQV-SFYZADRCSA-N	308.114	0.543	70	10	DCIE	
COc1nc(N2CC[S@@](=O)[C@@H](C)C2)ncc1[B-](F)(F)F	2116130903	OSMGKJIPPONISW-SVWIBVJCSA-N	308.114	0.497	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)C[C@H]2CC[C@H](F)C2)C1	2134975029	NCCGCJWHQWLCGX-WPRPVWTQSA-N	317.379	0.686	70	10	DCIE	
Cc1[nH]nc(C(=O)NCC[C@H]2CCCO2)c1S(=O)(=O)Cl	115798165	RIWPDVOIRWPYTM-MRVPVSSYSA-N	321.786	0.945	70	10	DCIE	
C[C@H]1C[C@@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)CCO1	1974394661	MYEWSBSJRUBBKD-UWVGGRQHSA-N	308.375	0.596	70	10	DCIE	
COc1nn(C[C@@H]2CCC(=O)N2)c(OC)c1S(=O)(=O)Cl	2149827567	QJXAHCZRBFNYLO-LURJTMIESA-N	323.758	0.106	70	10	DCIE	
CC(C)C1(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)COC1	2198497946	WLJTZZBQZXJITF-UHFFFAOYSA-N	322.770	0.549	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)C1CCC(F)(F)CC1	2268796776	MJCUDJOLNPMFKG-UHFFFAOYSA-N	300.302	0.827	70	10	DCIE	
C[C@H]1OC2(C)CC1(C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)C2	2287079051	RWKGVOMMOHGYGR-UWWSSPGOSA-N	306.359	0.349	70	10	DCIE	
C[C@@H]1C[C@H](N)CN(c2cnn(CCN(C)C)c(=O)c2Cl)C1	159798178	DLTQUFKMECIGQA-MNOVXSKESA-N	313.833	0.632	70	10	DCIE	
CC(C)COCCC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O	160235044	ZEHIQTVWLMRUQX-OLZOCXBDSA-N	320.455	0.883	70	10	DCIE	
CS(=O)(=O)N1CCN(c2ccc(Cl)cc2CO)CC1	161504244	SRZRAJHBAAKVET-UHFFFAOYSA-N	304.799	0.914	70	10	DCIE	
O=C1O[C@@]2(CCCN(C(=O)Cn3cncn3)C2)c2ccccc21	217590843	LAEREBHFSMISGS-MRXNPFEDSA-N	312.329	0.966	70	10	DCIE	
Cc1nc(C)c(C(=O)NC[C@@H](O)Cn2ccccc2=O)s1	218425518	HDROFICXWNXGPW-LLVKDONJSA-N	307.375	0.713	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC[C@H]1CCCCO1	688101084	FXZLIEFQGCOSDW-MRVPVSSYSA-N	322.770	0.836	70	10	DCIE	
CS(=O)(=O)N1CC[C@H](COc2cncc([B-](F)(F)F)c2)C1	691202350	HVVFJGXNTUYDQE-VIFPVBQESA-N	323.125	0.796	70	10	DCIE	
CC(=O)NCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1735090106	AYPSXFLJAGURMD-MRVPVSSYSA-N	319.358	0.708	70	10	DCIE	
Cc1noc(CCC(=O)N2CCC[C@H](S(=O)(=O)F)C2)n1	1968226455	CDRASUAGVUBGFT-VIFPVBQESA-N	305.331	0.601	70	10	DCIE	
O=C(c1snnc1C1CC1)N1CC[C@H](S(=O)(=O)F)C1	1968236666	ZAYWMDPFBWLFLU-ZETCQYMHSA-N	305.356	0.929	70	10	DCIE	
CC(C)N(CCS(C)(=O)=O)c1ncc([B-](F)(F)F)cn1	2116143335	YTVSIMVRKFODAJ-UHFFFAOYSA-N	310.130	0.790	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1CC[C@H]2C[C@H]1CO2	2153093985	BKIOIKVXOPNWPY-IUCAKERBSA-N	318.782	0.956	70	10	DCIE	
COC[C@]12C[C@](C(=O)N3CC[C@H](S(=O)(=O)F)C3)(CO1)C2	2206051333	ZMTGCYCXXOCHFR-DLOVCJGASA-N	307.343	0.082	70	10	DCIE	
COc1cccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)n1	2287069641	NBHYNHUFEQFFAH-MRVPVSSYSA-N	303.315	0.109	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1[C@H]2COCC[C@H]21	2355948325	JQBKAYQDBGDGDN-VWYCJHECSA-N	306.359	0.064	70	10	DCIE	
COCc1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)s1	2367818677	QONXOQMNMHSDBR-QMMMGPOBSA-N	322.383	0.913	70	10	DCIE	
CN(CC1CC1)C(=O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1	159429376	SWWJVXJDIMSREC-HNNXBMFYSA-N	322.453	0.269	70	10	DCIE	
CCOC(OCC)[C@H](N)c1c(OC)cnn1CCN(C)C	161148293	QVSAYPNRDBOKQY-GFCCVEGCSA-N	300.403	0.852	70	10	DCIE	
Cc1noc([C@@H]2COCCN2CC(=O)Nc2nncs2)n1	161214456	CXDWOSISZHIXOX-QMMMGPOBSA-N	310.339	0.242	70	10	DCIE	
C[C@@](O)(CO)CNC(=O)/C=C\c1c(Cl)nc2sccn12	218147988	ZUORTLVBHQUQIU-DLGQBQFBSA-N	315.782	0.922	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@@H](C)CS(C)(=O)=O	689696592	KKFRNAHGULIQKK-SSDOTTSWSA-N	314.816	0.800	70	10	DCIE	
CCc1nn([C@H]2CCNC2=O)c(CC)c1S(=O)(=O)Cl	691827715	ADFAUUMECXUMPQ-VIFPVBQESA-N	305.787	0.996	70	10	DCIE	
O=C(OC[C@@H]1COCCO1)c1cccc(S(=O)(=O)F)c1	1339914741	PODZZRDUYXGAID-JTQLQIEISA-N	304.295	0.917	70	10	DCIE	
CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)F)CCO2	1971238579	FQLMMWNUEKWOQF-UHFFFAOYSA-N	310.347	0.522	70	10	DCIE	
O=C(c1csc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)F)CC1	1974000605	CJSDGFQPPQBCFY-UHFFFAOYSA-N	323.327	0.628	70	10	DCIE	
O=S(=O)(Cl)c1nnc(CCn2cncn2)n1C1CC1	2090395045	ZLFCFJMNCAABPW-UHFFFAOYSA-N	302.747	0.375	70	10	DCIE	
O=C(c1cnccc1Cl)N1CCN(S(=O)(=O)F)CC1	2107403456	XQYQJWAZEDXWGM-UHFFFAOYSA-N	307.734	0.707	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cnccc1Cl	2108160825	KPXJLBSHHKUUBY-UHFFFAOYSA-N	307.734	0.611	70	10	DCIE	
CCO[C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C1	2174880160	IQGODSZFFZVLQF-MNOVXSKESA-N	308.375	0.550	70	10	DCIE	
CN1CCO[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)nc2)C1	2187814414	IISCUJNWDOYKEB-SECBINFHSA-N	303.315	0.009	70	10	DCIE	
O=C(c1cccc(O)c1O)N1CC(CCS(=O)(=O)F)C1	2199695288	UCPLHSIAFGLFKU-UHFFFAOYSA-N	303.311	0.859	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@]12CCCCN1CCC2	2284149991	HIKRTFCMAFLPNT-GFCCVEGCSA-N	305.375	0.020	70	10	DCIE	
Cc1c(O)cccc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287074873	KMYKWURKXYGTGH-SECBINFHSA-N	302.327	0.719	70	10	DCIE	
O=C([C@@H]1C[C@H]2[C@@H](C1)C2(F)F)N1CCN(S(=O)(=O)F)CC1	2163668475	XRJXBHFXRVUKOC-AYMMMOKOSA-N	312.313	0.636	70	10	DCIE	
CNC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)F)c(OC)c1	1527787194	RUWCHKQENHQRSR-ZETCQYMHSA-N	318.326	0.218	70	10	DCIE	
CC(C)[C@H](NC=O)C(=O)Nc1ncc(S(=O)(=O)F)s1	1534287028	LWMTUDZWUHEYPZ-ZETCQYMHSA-N	309.344	0.510	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1	163330539	UBTHATMYDLDKLF-QMMMGPOBSA-N	309.340	0.412	70	10	DCIE	
CNC[C@H]1CCN(c2cnn(CC(=O)OC)c(=O)c2Cl)C1	159364866	STEGOLJHLAUFSE-SECBINFHSA-N	314.773	0.115	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(N)cc1F	159842101	YUSUKBXGOXLGDA-UHFFFAOYSA-N	303.359	0.601	70	10	DCIE	
COCCCS(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1O	160324095	DCVUIFUBIWKXNG-UHFFFAOYSA-N	323.392	0.574	70	10	DCIE	
O=S1(=O)CCC[C@@H]2CN(c3ncncc3[B-](F)(F)F)C[C@@H]21	2172785557	LQRBEECVLAVOIO-SCZZXKLOSA-N	320.125	0.544	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2C[C@@H]3OCCN(C)[C@H]3C2)n1	2172770867	RAGRMUZPZOIAGE-RYUDHWBXSA-N	300.113	0.964	70	10	DCIE	
CCCOCCCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2092618057	YRLWGZBXWBRVIK-UHFFFAOYSA-N	310.759	0.693	70	10	DCIE	
O=C(CN1CCOCC1=O)Nc1cccc(S(=O)(=O)F)c1	279793452	XHNWJKWKIQCBHR-UHFFFAOYSA-N	316.310	0.142	70	10	DCIE	
CCn1c(S(=O)(=O)Cl)nnc1[C@]12CO[C@](COC)(C1)C2	2206045553	CVEYNIPLRFYZIG-XYPYZODXSA-N	321.786	0.673	70	10	DCIE	
COC[C@@]12CN(c3ncc([B-](F)(F)F)cn3)C[C@H]1CCO2	2239825280	TWAOTIXXHZZLJS-SKDRFNHKSA-N	302.085	0.773	70	10	DCIE	
Cc1cc(OCCOCC(N)=O)cc(C)c1S(=O)(=O)F	2241014665	PJFSUTYWARXPRG-UHFFFAOYSA-N	305.327	0.842	70	10	DCIE	
C[C@H](OCc1ccccc1)C(=O)NC1CN(S(=O)(=O)F)C1	2241568864	HXPGTHNUHLOTAE-JTQLQIEISA-N	316.354	0.606	70	10	DCIE	
O=CNCCCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	217287210	UPIGUDZWTQWHQA-CQSZACIVSA-N	318.377	0.223	70	10	DCIE	
CC(C)CO[C@@H](C)Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2165514421	UOJYWRCKAXGGHG-QMMMGPOBSA-N	324.786	0.938	70	10	DCIE	
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)F)c([N+](=O)[O-])c1	675065973	UABBGQVUOSVXQQ-UHFFFAOYSA-N	312.300	0.503	70	10	DCIE	
CCCn1c(=O)n(C)c(=O)c2cc(S(=O)(=O)F)cnc21	675066582	NYGBWPTZDZUYFB-UHFFFAOYSA-N	301.299	0.163	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CCN(C)S(C)(=O)=O	689785443	DOLOHETYORQWLX-UHFFFAOYSA-N	315.804	0.010	70	10	DCIE	
C[C@H](CCCNCCO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1571308306	MLVQDXZSPDLWQN-SECBINFHSA-N	321.374	0.153	70	10	DCIE	
CCC[C@@H](C(=O)N1CCOC[C@H]1C(=O)NC1CC1)C(N)=S	159783373	HCORPFFUVBBJBP-MNOVXSKESA-N	313.423	0.195	70	10	DCIE	
O=C(C1CC2(CC(F)C2)C1)N1CCN(S(=O)(=O)F)CC1	1974014649	LFHQBAJHIMFUPK-UHFFFAOYSA-N	308.350	0.873	70	10	DCIE	
CCN(CCCO)C(=O)CN(C)S(=O)(=O)c1cccs1	160460392	SCTLRPHIEXWPPF-UHFFFAOYSA-N	320.436	0.600	70	10	DCIE	
O=C1CC[C@@H]2CN(S(=O)(=O)C3CCOCC3)CC[C@H]2N1	160715904	UQQPNDNEVLNIFS-ZYHUDNBSSA-N	302.396	0.096	70	10	DCIE	
O=[N+]([O-])c1nn(C[C@H]2COCCO2)cc1S(=O)(=O)Cl	690723596	GBVPVDYADISYFC-LURJTMIESA-N	311.703	0.134	70	10	DCIE	
Cc1nc(N2C[C@H](C)S(=O)(=O)[C@H](C)C2)ncc1[B-](F)(F)F	2172758889	WNRKPHQGGABXBX-OCAPTIKFSA-N	322.141	0.851	70	10	DCIE	
COc1nc(OCC2COCCOC2)ncc1[B-](F)(F)F	2203704985	VTMBUWTVMOZXBD-UHFFFAOYSA-N	307.057	0.581	70	10	DCIE	
CC(C)c1ccnc(S(=O)(=O)CCS(=O)(=O)Cl)n1	2221804752	DFDPTIISDQGZRV-UHFFFAOYSA-N	312.800	0.942	70	10	DCIE	
Cc1[nH]nc(C(=O)OC2(C3CC3)COC2)c1S(=O)(=O)Cl	2288585066	ZEQVRSDWHDHVAP-UHFFFAOYSA-N	320.754	0.981	70	10	DCIE	
O=C(CN1CCOC[C@@H]1C[C@H](O)c1ccco1)N1CCOCC1	159387567	JDOAPNLAYLCCJE-KBPBESRZSA-N	324.377	0.263	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1	160962742	JIXDCXARJYQOCC-VIFPVBQESA-N	320.349	0.363	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(N)cc(F)c1F	218128486	QWMDOBKFEBBOOY-UHFFFAOYSA-N	307.322	0.304	70	10	DCIE	
CO[C@@H](C)CNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	224107218	VVTWEKLYDPJEGF-QMMMGPOBSA-N	311.356	0.658	70	10	DCIE	
CC(=O)N[C@@H](C)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1287723082	WACRQVFXUYKQPG-ZETCQYMHSA-N	305.331	0.270	70	10	DCIE	
N#CC1CN(S(=O)(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)C1	1879798288	ZNBZMDUVLDMDFQ-UWVGGRQHSA-N	308.114	1.000	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccnn1C1CC1	1974054770	ILNZRCFLMCVSOM-UHFFFAOYSA-N	302.331	0.094	70	10	DCIE	
O=[N+]([O-])c1nn(C[C@H]2[C@@H]3COC[C@@H]32)cc1S(=O)(=O)Cl	2132391578	AJKADCDGKNYIEM-POBXSPIYSA-N	307.715	0.611	70	10	DCIE	
Cc1ccc(C(=O)N2CCC(S(=O)(=O)F)CC2)c(O)n1	2144733186	NIHVUCDORZYPAI-UHFFFAOYSA-N	302.327	1.000	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12	2151831146	SPUXJDGMVHPAEK-IQJOONFLSA-N	318.782	0.860	70	10	DCIE	
COc1ccc(C(=O)N2CC(CS(=O)(=O)F)C2)c(O)c1	2199687754	CDTNURLCFCMBFZ-UHFFFAOYSA-N	303.311	0.772	70	10	DCIE	
CC(C)(C)CCS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271517092	VYXPKHUPSDGONQ-SECBINFHSA-N	316.420	0.631	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@]12CCC[C@@H]1OCC2	2287075134	LIGJAENKMVXHHE-JFGNBEQYSA-N	306.359	0.350	70	10	DCIE	
COc1ncc(C(=O)NC2CN(S(=O)(=O)F)C2)cc1Cl	2287209774	JRKACLALIIFFBO-UHFFFAOYSA-N	323.733	0.372	70	10	DCIE	
Cc1[nH]c(=O)sc1S(=O)(=O)NCc1ccc(CN)cc1	159590905	WKDRBKVGBNEVFA-UHFFFAOYSA-N	313.404	0.682	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cc(N)c(F)cc2F)CCOC1	159908988	MLTHGMRJWKWSTL-LBPRGKRZSA-N	322.333	0.631	70	10	DCIE	
CCc1c(C(=O)N(C)CC(=O)NC(C)(C)C)[nH]c(C)c1C(N)=O	160059960	UYACXDKABRVESN-UHFFFAOYSA-N	322.409	0.971	70	10	DCIE	
C[C@@H](NC(=O)Nc1cnn(CCN(C)C)c1)[C@@H]1CN(C)CCO1	160238355	MUSSECHFTQSRCT-OCCSQVGLSA-N	324.429	0.285	70	10	DCIE	
CCCCn1c(N)c(N(C)Cc2nccn2CC)c(=O)[nH]c1=O	160734027	SBWLLCAUUSSSRC-UHFFFAOYSA-N	320.397	0.772	70	10	DCIE	
CCn1ncc(Br)c1[C@@H](CS(C)(=O)=O)NN	161413447	FKVIWXAFNJNYSX-SSDOTTSWSA-N	311.205	0.215	70	10	DCIE	
COCC[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1271757790	OIAKXTVSMIHUQZ-NSHDSACASA-N	303.315	0.721	70	10	DCIE	
CCC(=O)N[C@H](C)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1337473130	QOHCNYHLSBATJN-MRVPVSSYSA-N	319.358	0.660	70	10	DCIE	
O=C1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1	1346796945	RBNDRJWEVGYNKF-ZETCQYMHSA-N	303.315	0.071	70	10	DCIE	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCS(=O)CC1	1565730806	NMTXRMPHOOKFJN-UHFFFAOYSA-N	322.383	0.656	70	10	DCIE	
Cc1nc(C(=O)NC2CCN(S(=O)(=O)F)CC2)cs1	1974402333	MLTRYVFIHMJUOY-UHFFFAOYSA-N	307.372	0.860	70	10	DCIE	
O=S(=O)(F)N1CCN(S(=O)(=O)[C@@H]2CC23CCC3)CC1	2107406833	FEEFXNVFKNWLOZ-SECBINFHSA-N	312.388	0.091	70	10	DCIE	
CO[C@@H](C(=O)N1CC[C@H](S(=O)(=O)F)C1)C1CCOCC1	2150283222	OVRLBBHOTSTISI-WDEREUQCSA-N	309.359	0.328	70	10	DCIE	
C[C@H]1CCCC[C@@H]1S(=O)(=O)NC1CN(S(=O)(=O)F)C1	2268776962	BSUNICAHPBYQBE-WPRPVWTQSA-N	314.404	0.383	70	10	DCIE	
Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287088195	APULGJLOVAPLFK-SNVBAGLBSA-N	322.383	0.562	70	10	DCIE	
CN1CCO[C@@H]2CN(C(=O)c3cc(Br)c[nH]3)C[C@@H]21	159730317	CAXCHUROBRKNHD-WDEREUQCSA-N	314.183	0.932	70	10	DCIE	
COc1ccc(S(N)(=O)=O)cc1CC(=O)NC[C@H]1C[C@@H]1C	160326492	XYIUHIRQJRXHEC-GXSJLCMTSA-N	312.391	0.657	70	10	DCIE	
CN[C@H](CCN1CCS(=O)(=O)CC1)c1ccc(F)cn1	161237625	YDIOMTBDUMNQNL-GFCCVEGCSA-N	301.387	0.602	70	10	DCIE	
Cc1[nH]nc(C(=O)N2C[C@@H](F)[C@H](F)C2)c1S(=O)(=O)Cl	714535799	CTEPRTNOTMYCDW-PHDIDXHHSA-N	313.713	0.778	70	10	DCIE	
Cc1nc(C)c(C(=O)NCC2CN(S(=O)(=O)F)C2)s1	1974057852	AZBTXZCRZIJEEM-UHFFFAOYSA-N	307.372	0.636	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1c(O)cccc1F	1974057873	BGPPVILSHCUUDH-UHFFFAOYSA-N	306.290	0.407	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1C[C@@]12CCOC2	1974394846	QHYJSVGRKTWJBT-ZYHUDNBSSA-N	306.359	0.208	70	10	DCIE	
CCn1c(-c2cnnn2C2CC2)nnc1S(=O)(=O)Cl	2097596633	DUXCMAFWQMFALB-UHFFFAOYSA-N	302.747	0.819	70	10	DCIE	
CCn1nnnc1Sc1ncc([B-](F)(F)F)c(OC)n1	2116089247	QZPJUFGDPDRBFO-UHFFFAOYSA-N	305.074	0.697	70	10	DCIE	
CCc1nn(C)cc1C(=O)N1CCC[C@H](S(=O)(=O)F)C1	2144732989	LGFZICGFLREBCH-VIFPVBQESA-N	303.359	0.886	70	10	DCIE	
COCCn1c(C[C@H]2CC[C@H](C)O2)nnc1S(=O)(=O)Cl	2161088141	CWKGECCYNFLXFI-DTWKUNHWSA-N	323.802	0.962	70	10	DCIE	
CN(C)S(=O)(=O)NCC(=O)N1CCC([B-](F)(F)F)CC1	2231047554	HLITZSPGVNNCGJ-UHFFFAOYSA-N	316.134	0.222	70	10	DCIE	
CS(=O)(=O)c1cnn(-c2ncc([B-](F)(F)F)cc2F)c1	2273482977	MZWMYBYWIXEBHN-UHFFFAOYSA-N	308.045	0.864	70	10	DCIE	
COc1cccc(C(=O)NC2CN(S(=O)(=O)F)C2)c1Cl	2284149983	HEQOSDQHBJIXJQ-UHFFFAOYSA-N	322.745	0.977	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1C(F)(F)C12CCCC2	2284150295	IUOYGZYOPXWUIN-MRVPVSSYSA-N	312.313	0.827	70	10	DCIE	
CCc1nn(C)c(C(=O)NC2CN(S(=O)(=O)F)C2)c1Cl	2284151638	RXDZOPVQCVKMJP-UHFFFAOYSA-N	324.765	0.264	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CC[C@@H]2C[C@H]1CO2	2359646943	HDYHERNDZPEVCY-ZDCRXTMVSA-N	306.359	0.206	70	10	DCIE	
CCOc1cc(N)cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1	159649616	RWFYXRHNSGWRMM-GFCCVEGCSA-N	312.391	0.927	70	10	DCIE	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCC[C@@H](C)O)c1C	159692868	VORXRYOMUSBNNN-MRVPVSSYSA-N	318.395	0.857	70	10	DCIE	
Cc1c(NCC(=O)NC(C)(C)C)cc(N)cc1S(N)(=O)=O	159853206	GECMZOOZUSZSAL-UHFFFAOYSA-N	314.411	0.551	70	10	DCIE	
COC(=O)Cn1ncc(N(C)[C@H](CN)C2CC2)c(Cl)c1=O	160049920	LMIQIQXXIKCPLQ-SECBINFHSA-N	314.773	0.243	70	10	DCIE	
CC[C@H](C(N)=S)N1CCN(c2ccn3nccc3n2)CC1	160894468	PMVJIAIVRXXZIX-LLVKDONJSA-N	304.423	0.916	70	10	DCIE	
C[C@]1(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CCOC1	163335997	XXTFNLOMXYVPGT-NSHDSACASA-N	323.367	0.802	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2C[C@@H]2CF)c1S(=O)(=O)Cl	1875813384	KCVAQHWFVNRVSS-RQJHMYQMSA-N	309.750	0.981	70	10	DCIE	
CS(=O)(=O)CCOC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2069535889	MZADFDSFMVRDFP-UHFFFAOYSA-N	315.756	0.144	70	10	DCIE	
Cn1c([C@@H]2CCc3c[nH]nc3C2)nnc1S(=O)(=O)Cl	2088321209	NJAOZYIEVWXHBN-ZCFIWIBFSA-N	301.759	0.738	70	10	DCIE	
CCn1c(-c2cccn3cnnc23)nnc1S(=O)(=O)Cl	2177064490	LBWSAFLFHSJWAW-UHFFFAOYSA-N	312.742	0.935	70	10	DCIE	
C[C@@H]1OC2(C(=O)NC3CCN(S(=O)(=O)F)CC3)CC1C2	2193080678	HANVDVIWRJJAIO-QTZUAFFRSA-N	306.359	0.349	70	10	DCIE	
COCCn1c(S(=O)(=O)Cl)nnc1[C@]12COC[C@H](C1)C2	2288691554	PAAXRAHLLGQIJP-JLIMDTESSA-N	321.786	0.530	70	10	DCIE	
O=C(/C=C\c1c(Cl)nc2sccn12)NC[C@@H](O)CO	218218866	UCQKOTFGDSMJQC-TWJVDONLSA-N	301.755	0.532	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCc2nccnc2C1	1347256746	STRSWOQCXQRTTA-UHFFFAOYSA-N	310.310	0.661	70	10	DCIE	
CN(C)CCn1ncc(Cl)c1[C@H](N)[C@H]1CN2CCN1CC2	161354389	WYXMICRUDUQDAE-CHWSQXEVSA-N	312.849	0.098	70	10	DCIE	
CCC1(CC)NC(=O)N(CC(=O)N2C[C@@H]3CCC[C@H](C2)N3)C1=O	160339178	LTCSTBYHBGYQJM-TXEJJXNPSA-N	322.409	0.450	70	10	DCIE	
COC(=O)Cn1ncc(NCC[C@@H]2CCNC2)c(Cl)c1=O	159410538	NJELVSZDXDFSNL-VIFPVBQESA-N	314.773	0.481	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2CCO[C@@H]3C[C@H]32)c1	2171916343	DEIJTTVWAIPPMA-GHMZBOCLSA-N	321.351	0.507	70	10	DCIE	
COc1nc(N2C[C@@H]3C(N(C)C)[C@H]3C2)ncc1[B-](F)(F)F	2172771439	ZTGIKGPDHNHOKP-YUMQZZPRSA-N	301.101	0.536	70	10	DCIE	
CN(c1ncncc1[B-](F)(F)F)[C@@H]1CO[C@]2(CCOC2)C1	2178997282	WKFFPRBHCHAQSA-JOYOIKCWSA-N	302.085	0.915	70	10	DCIE	
O=C1CC2(C[C@@H]3CC[C@H](C2)S3(=O)=O)N1S(=O)(=O)Cl	2066318756	DFYJERZAIBDMCI-AVSFMBPQSA-N	313.784	0.181	70	10	DCIE	
CC[C@@H]1CC[C@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)O1	2201434819	RKYKZHXYWMAYHR-HTQZYQBOSA-N	305.331	0.396	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccc(Cl)cn1	2271493379	RQEHPETZHZWABJ-QMMMGPOBSA-N	307.734	0.753	70	10	DCIE	
CS(=O)(=O)N1CCC[C@H](Oc2ncncc2[B-](F)(F)F)C1	2285601454	XEBGPYUGKIANCP-QMMMGPOBSA-N	324.113	0.334	70	10	DCIE	
C[C@H]1CC(OCCS(=O)(=O)Cl)C[C@H](C)S1(=O)=O	2307469015	CPODOPMHFQURNE-YUMQZZPRSA-N	304.817	0.926	70	10	DCIE	
O=S(=O)(Cl)CCOCCOC[C@@H]1CCc2nccn21	2351878861	VWLHIAYWKPITEO-JTQLQIEISA-N	308.787	0.972	70	10	DCIE	
O=S1(=O)C[C@H]2CN(c3ncncc3[B-](F)(F)F)C[C@@H]2C1	2116150184	MZDFDRLHGUZNSQ-HTQZYQBOSA-N	306.098	0.012	70	10	DCIE	
O=C(CCN1CCO[C@@H](c2nccs2)C1)N1CCOCC1	161445530	MDHUQCSUNZOIGM-GFCCVEGCSA-N	311.407	0.765	70	10	DCIE	
CCOc1cc(N)cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1	159677838	LCIOIGQLOCRAMN-JTQLQIEISA-N	312.391	0.832	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(N)c(F)cc1C	218147329	AKHDXKPQMODGSE-UHFFFAOYSA-N	303.359	0.473	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)c2ccc(F)cc2F)C1	2134975919	TYZDUTBJODWZJF-UHFFFAOYSA-N	315.294	0.637	70	10	DCIE	
COCC1(C(=O)N2CCN(S(=O)(=O)F)CC2)CCCC1	1974015437	UDTUMJFGISJPHQ-UHFFFAOYSA-N	308.375	0.552	70	10	DCIE	
COCCSCC(=O)NC1CCN(S(=O)(=O)F)CC1	1974402841	RIMXHQUODNRJNC-UHFFFAOYSA-N	314.404	0.161	70	10	DCIE	
COc1cccc(O)c1NS(=O)(=O)CCS(C)(=O)=O	160733977	MHQJGPWVFZKWDN-UHFFFAOYSA-N	309.365	0.187	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CCO[C@H]3COC[C@H]32)n1	2192637400	PEYBNRIKNSEHOD-ZJUUUORDSA-N	302.085	0.752	70	10	DCIE	
CC(C)(C)S(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2049917300	BZELPIQPDZZLTR-UHFFFAOYSA-N	302.393	0.383	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cccc(O)c1Cl	2187048182	JTTRIZGXVQHZNN-UHFFFAOYSA-N	322.745	0.922	70	10	DCIE	
O=C(c1csc2cncn12)N1CC[C@@H](S(=O)(=O)F)C1	2094885106	NSSVLCACWBJVLY-SSDOTTSWSA-N	303.340	0.910	70	10	DCIE	
O=C([C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1CCC[C@@H](S(=O)(=O)F)C1	2353948718	MGGFQYAQFZERLA-HAVMIZHYSA-N	303.355	0.700	70	10	DCIE	
CC(=O)N1CCN(S(=O)(=O)c2cc(N)cc(C)c2F)CC1	159447785	SMYLTJIWVMMTKP-UHFFFAOYSA-N	315.370	0.569	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@H](C)Cn2ccnc2)cc1N	159595005	RXKROWKWLUAYSN-SNVBAGLBSA-N	309.395	0.874	70	10	DCIE	
CNC(=O)[C@H]1COCCN1Cc1cc(F)cc(C(N)=S)c1	159819045	UVKPBZQVCGSZKS-GFCCVEGCSA-N	311.382	0.407	70	10	DCIE	
C[C@@H](N)c1cccc(S(=O)(=O)NCC(=O)NC(C)(C)C)c1	159897301	MDXGLPIVOXQINQ-SNVBAGLBSA-N	313.423	0.899	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1c1nc(Cl)nnc1Cl	160274062	NJXCFBVGWZQRPK-ZETCQYMHSA-N	320.180	0.910	70	10	DCIE	
Cc1cc(C[C@@H](C)NC(=O)CC2(CS(C)(=O)=O)CC2)n[nH]1	161307965	VPPATJJETXFBSM-SNVBAGLBSA-N	313.423	0.980	70	10	DCIE	
CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[C@@H]1CO	218027662	NDQLEUHCRNLAEJ-IJLUTSLNSA-N	306.428	0.228	70	10	DCIE	
Cc1cc2ncc(CCCNS(=O)(=O)c3cnc[nH]3)cn2n1	218045583	CERCFCWCWDOIII-UHFFFAOYSA-N	320.378	0.672	70	10	DCIE	
O=S(=O)(Cl)c1nnc(CCn2ccnc2)n1C1CC1	389035710	LHEBTTWVCIOKQD-UHFFFAOYSA-N	301.759	0.980	70	10	DCIE	
O=C1CC2(CCS(=O)(=O)CC2)[C@H](CS(=O)(=O)Cl)O1	675053615	PGXPDGSOBPMUDC-ZETCQYMHSA-N	316.784	0.066	70	10	DCIE	
CC(C)O[C@H]1CS(=O)(=O)C[C@@H]1C1(S(=O)(=O)Cl)CC1	711274276	HOXNQZFVVSDKKU-IUCAKERBSA-N	316.828	0.926	70	10	DCIE	
O=C(Cc1ccc(Cl)nc1)N1CCN(S(=O)(=O)F)CC1	1974001621	XMFLNZKAACJGHB-UHFFFAOYSA-N	321.761	0.636	70	10	DCIE	
CCn1cc(C(=O)NCC2CN(S(=O)(=O)F)C2)c(C)n1	1974054683	HCAVXRNFRKHUQN-UHFFFAOYSA-N	304.347	0.087	70	10	DCIE	
COCCn1nnnc1Sc1ccc([B-](F)(F)F)cn1	2116091325	BLZQEVUYPSJRGU-UHFFFAOYSA-N	304.086	0.920	70	10	DCIE	
C[C@@H]1CCO[C@@H]1CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2157351288	XXIAYJCCNDFGAG-HTQZYQBOSA-N	322.770	0.692	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1Cc1nc(=O)o[nH]1	2182344547	QTWAJSAKVQPONW-UHFFFAOYSA-N	322.730	0.072	70	10	DCIE	
CCn1nnnc1CN(C)c1ncc([B-](F)(F)F)c(C)n1	2196304670	WLLNTQXDDMAXEW-UHFFFAOYSA-N	300.077	0.482	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3CO[C@H]2C3)c1S(=O)(=O)Cl	2286252529	PVHYUZLNMNMBOP-PRJMDXOYSA-N	319.770	0.553	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@H]2C[C@@H]1CO2	2354656517	RDGOXYKBZILSCP-OUAUKWLOSA-N	306.359	0.064	70	10	DCIE	
O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(S(=O)(=O)F)c[nH]1	1339033432	HHABXMLNJYKVQC-FYBVGQRMSA-N	318.326	0.207	70	10	DCIE	
C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H](C)C1O	1348817286	KJENPFYMEMUECF-YUMQZZPRSA-N	304.343	0.762	70	10	DCIE	
CCC[C@H](NC(=O)Cn1ncn(C)c1=O)C(=O)OC(C)(C)C	161422079	NIOTWCPYFXINGE-JTQLQIEISA-N	312.370	0.208	70	10	DCIE	
O=C1CC[C@@H]2CN(C(=O)CCN3CCSC3=O)CC[C@@H]2N1	160596301	YUYRTJRPIDJZEU-MNOVXSKESA-N	311.407	0.672	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)NC[C@H](O)C2CCCCC2)[C@H](C)CO1	159587237	NQZIAKHECSZNSL-BZPMIXESSA-N	320.455	0.871	70	10	DCIE	
CCS(=O)(=O)[C@@H]1CCN(CCCS(=O)(=O)Cl)C1	2009682687	OFGWQEPMVHKBQF-SECBINFHSA-N	303.833	0.454	70	10	DCIE	
Cn1c([C@@H]2CCCS(=O)(=O)C2)nnc1S(=O)(=O)Cl	2029369669	GEMJNSKLJXTCMY-ZCFIWIBFSA-N	313.788	0.035	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1C[C@H]1COCCN1C	2267889790	PDTQIBWTTBIISA-VIFPVBQESA-N	307.803	0.704	70	10	DCIE	
O=C(NCc1cccs1)NC[C@H](O)Cn1ccccc1=O	218455602	SPXJXWQIZVTCHS-NSHDSACASA-N	307.375	0.770	70	10	DCIE	
C[C@H]1COC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	699720489	BHIXFHOPPBUETO-GZMMTYOYSA-N	323.367	0.658	70	10	DCIE	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)C1	160223243	KXGOKJNOUXCXRX-QNWHQSFQSA-N	317.455	0.843	70	10	DCIE	
CNC[C@H]1CCCN1c1cnn(CCN(C)C)c(=O)c1Cl	159956550	DECPPFXHGALCHR-LLVKDONJSA-N	313.833	0.647	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C(F)(F)C(F)F)[nH]1	1923167768	QDPAJJHKKPVJKA-UHFFFAOYSA-N	307.200	0.339	70	10	DCIE	
O=C(CCc1ccccc1)N1CCN(S(=O)(=O)F)CC1	1974001480	USYNTSIGTWZWAP-UHFFFAOYSA-N	300.355	0.978	70	10	DCIE	
COCCC[C@@H](N)CNCc1ccc(S(C)(=O)=O)cc1	159511937	IKWIYPOLDASVKS-CYBMUJFWSA-N	300.424	0.934	70	10	DCIE	
COC(=O)Cn1ncc(NC[C@H]2CCNC2)c(Cl)c1=O	159823432	VRPUQTXKMMKVBT-QMMMGPOBSA-N	300.746	0.091	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccc(N)c(F)c2)CCOC1	159910420	SRSXISQERLNPDE-LBPRGKRZSA-N	304.343	0.492	70	10	DCIE	
C[C@H]1CN(CCn2cc(S(=O)(=O)Cl)cn2)C[C@H](C)O1	313784039	BNQKENBLENLYNE-UWVGGRQHSA-N	307.803	0.920	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)C[C@H]1CCCCS1(=O)=O	694431237	NTFWRUBFSZVOHG-SNVBAGLBSA-N	317.860	0.844	70	10	DCIE	
CO[C@H]1COC[C@H]1NC(=O)c1cccc(S(=O)(=O)Cl)c1	2177286528	ZJKZJCAPOXQIJA-MNOVXSKESA-N	319.766	0.758	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cn1)[C@@H]1CO[C@]2(CCOC2)C1	2178995928	LMCQXWQYVMPMEP-CMPLNLGQSA-N	302.085	0.915	70	10	DCIE	
CC(C)CCS(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2045264234	KBSMRIYLBKMNPW-UHFFFAOYSA-N	302.393	0.194	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@]12CCOC[C@@H]1C2	2194503668	HCSZWZHBIBVTJR-CPCISQLKSA-N	320.754	0.303	70	10	DCIE	
O=C([C@@H]1CCCSCC1)N1CCN(S(=O)(=O)F)CC1	2107411592	KMGFHMZNFVPDMB-SNVBAGLBSA-N	310.416	0.878	70	10	DCIE	
Cc1ccnc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c1[B-](F)(F)F	2336519657	HKSOMDUJNOBZLQ-BDAKNGLRSA-N	305.110	0.678	70	10	DCIE	
O=C(Cn1cnnn1)NC[C@@H]1CCCN(c2nccs2)C1	218149890	SXLYSDSUAYQPHF-JTQLQIEISA-N	307.383	0.162	70	10	DCIE	
CN1CC[C@H](n2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)C1=O	127629198	HJWOHMHOIHKQKR-YFKPBYRVSA-N	308.703	0.122	70	10	DCIE	
COc1ccccc1OCNC(=O)N[C@H]1CCS(=O)(=O)C1	217308902	ABIOBBFHIQZLGA-JTQLQIEISA-N	314.363	0.518	70	10	DCIE	
Cn1nc(Br)c(COS(=O)(=O)C(F)(F)F)n1	1953134479	ITFUPRJITYVJAV-UHFFFAOYSA-N	324.078	0.944	70	10	DCIE	
C[C@H](C(=O)NCC1CN(S(=O)(=O)F)C1)[C@@H]1CCCCO1	2164434978	FXHNKCGJWSAEPQ-ONGXEEELSA-N	308.375	0.454	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CC(C[S@@](C)=O)C2)n1	2116128920	RGOXJLSAIOAGRP-HXUWFJFHSA-N	306.142	0.963	70	10	DCIE	
C[C@@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCCO	1662974804	OTQRMGFRJPIKHU-VIFPVBQESA-N	321.374	0.153	70	10	DCIE	
CC(=O)N[C@H](C(=O)N1CCS(=O)(=O)C(C)(C)C1)C(C)C	160136172	ZSYVRCLDSRNQMN-NSHDSACASA-N	304.412	0.183	70	10	DCIE	
O=C([C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@H]21)N1CCC(S(=O)(=O)F)CC1	2144733752	SXXOOBXMPKZMEV-KQSJRHEJSA-N	303.355	0.700	70	10	DCIE	
C[C@@]1(C[C@H]2CCCS2(=O)=O)CC(=O)N1S(=O)(=O)Cl	2039058164	KWOQMEANGAFSTC-VXNVDRBHSA-N	315.800	0.428	70	10	DCIE	
Cc1nn(CC[C@H]2CCNC2=O)c(C)c1S(=O)(=O)Cl	395950926	YOGDVZCBMCEPGS-SECBINFHSA-N	305.787	0.954	70	10	DCIE	
COCCNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)F)cc1	2191427637	DRIOABQDTHVCHC-SECBINFHSA-N	305.327	0.875	70	10	DCIE	
N#Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)s1	2078996295	DJTHLEFTUDULIG-UHFFFAOYSA-N	310.353	0.292	70	10	DCIE	
CC(C)N(C)S(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2078990400	JTILKYZZTTUEBH-UHFFFAOYSA-N	302.393	0.193	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC[C@H]2C[C@H]1CO2	2287064886	HDYHERNDZPEVCY-XWLWVQCSSA-N	306.359	0.206	70	10	DCIE	
O=C(C[C@H]1C[C@@H]1C(F)(F)F)NC1CN(S(=O)(=O)F)C1	2268795882	JIQCAUSUQNGCIA-VDTYLAMSSA-N	304.265	0.590	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2COC[C@H](C2)C1	2284154029	UUIACRSVWHWSAL-MYJAWHEDSA-N	306.359	0.064	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC[C@@H]2[C@H]1C2(F)F	2287069675	BWODEWYCZXHGPQ-BGZDPUMWSA-N	312.313	0.683	70	10	DCIE	
C[C@@]1([B-](F)(F)F)CCN(S(=O)(=O)N2CC[C@@H](O)C2)C1	2319747237	DTRMATWJSVRAJY-RKDXNWHRSA-N	301.119	0.611	70	10	DCIE	
COCCNS(=O)(=O)Nc1ccccc1S(=O)(=O)F	129186424	CTGWOOOGVDYGOO-UHFFFAOYSA-N	312.344	0.238	70	10	DCIE	
O=C(N[C@H](c1ncon1)C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1156221071	LBGGGBFBMQBUEX-VIFPVBQESA-N	314.298	0.937	70	10	DCIE	
CC(=O)c1cc(C(=O)N2CC(CS(=O)(=O)F)C2)n(C)c1	2199682491	KLJSBZWJTJVHCA-UHFFFAOYSA-N	302.327	0.599	70	10	DCIE	
O=S1(=O)C[C@H]2CN(c3ccncc3[B-](F)(F)F)C[C@@H]2C1	2116146100	SZLWJCNPBDDLJY-RKDXNWHRSA-N	305.110	0.617	70	10	DCIE	
C[C@@H](CC(N)=O)NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1533122735	KBVWINWGYPESTF-QMMMGPOBSA-N	302.327	0.267	70	10	DCIE	
O=C(N[C@H]1[C@H]2OCCC[C@@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2120039982	PNIXALXVUMRZBK-QNSHHTMESA-N	304.755	0.849	70	10	DCIE	
CSCC[C@@H](O)C(=O)Nc1ccc(S(=O)(=O)F)nc1	2125476591	PRBRILFJEQPLLW-MRVPVSSYSA-N	308.356	0.792	70	10	DCIE	
CC[C@H](CNC(C)=O)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1688716076	COVJYKBUSVCWGC-MRVPVSSYSA-N	305.331	0.317	70	10	DCIE	
Cc1ccc(F)c(OCC(=O)Nc2cn(C)c(=O)n(C)c2=O)c1	160234043	JHCOPGOCSMWPGA-UHFFFAOYSA-N	321.308	0.549	70	10	DCIE	
CSc1nc(N)cc(N2CCOC[C@H]2C(=O)NC2CC2)n1	160568756	SPUNWDGCTOUHGY-VIFPVBQESA-N	309.395	0.265	70	10	DCIE	
CCCn1c([C@H](C)S(C)(=O)=O)nnc1S(=O)(=O)Cl	168027744	LSICDOAHWCODAJ-LURJTMIESA-N	315.804	0.721	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CC[C@H]2N(C)C)c1S(=O)(=O)Cl	2157690716	BDBGIMUVYQTPOJ-HTQZYQBOSA-N	320.802	0.468	70	10	DCIE	
Cc1ncnc(N2CCS(=O)(=O)C(C)(C)C2)c1[B-](F)(F)F	2172758416	QAELOIKQLOJZBG-UHFFFAOYSA-N	322.141	0.853	70	10	DCIE	
Cc1cc(C(=O)O)cc(S(=O)(=O)F)c1O[C@@H](C)C(N)=O	2191432390	OHEAPYCGYUINMS-LURJTMIESA-N	305.283	0.604	70	10	DCIE	
CO[C@@H]1CC[C@@H]1CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2187023774	WWHSMLAGUWRKTP-HTQZYQBOSA-N	322.770	0.692	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)[C@@H]2CCC[C@H]2F)C1	2079000279	CXTCJSGRZFJCNP-RKDXNWHRSA-N	303.352	0.438	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1	2088471807	KQIRSEKYHBJVNS-SNVBAGLBSA-N	308.356	0.534	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C1CC(C(F)F)C1	2271484332	BZHPUFJKIXNPPF-KAVNDROISA-N	300.302	0.683	70	10	DCIE	
CN(C)S(=O)(=O)[C@H]1CCN(c2ncccc2[B-](F)(F)F)C1	2279224756	KEPSDVLTHWTPTE-VIFPVBQESA-N	322.141	0.606	70	10	DCIE	
COC[C@]1(C)C[C@@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2284673413	ZPKRJAJLTXXDOO-HQJQHLMTSA-N	322.770	0.549	70	10	DCIE	
CCCn1c(-c2nnn3c2CCC3)nnc1S(=O)(=O)Cl	2363973059	ROFYMFVSVDPSMQ-UHFFFAOYSA-N	316.774	0.820	70	10	DCIE	
O=C(C[S@@](=O)Cc1ccc(S(=O)(=O)F)cc1)NC1CC1	857219325	CRXZUNPIGAKQQG-IBGZPJMESA-N	319.379	0.872	70	10	DCIE	
CCOCCNC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1321991532	PNZMIXVRUJVVNB-VIFPVBQESA-N	321.374	0.417	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2csc(Cl)n2)[nH]1	1906893938	TWEZJAOSHCSTCT-UHFFFAOYSA-N	324.746	0.862	70	10	DCIE	
Cc1cc(C[C@H](C)NC(=O)CSc2nnnn2C2CC2)n[nH]1	161065293	PQMSTTFIYWIFOT-QMMMGPOBSA-N	321.410	0.879	70	10	DCIE	
C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)CCCF)CC1	161429456	UKUAGTSHGNISFG-GFCCVEGCSA-N	310.435	0.700	70	10	DCIE	
Cc1cc(N2CC[C@@H](SCCN3CCOCC3)C2=O)n(C)n1	160000190	SWAANMIGBILTSI-CYBMUJFWSA-N	324.450	0.899	70	10	DCIE	
O=c1c(Cl)c(NCCOC2CCNCC2)cnn1CCO	159461087	GFEKVYAKPSOXTQ-UHFFFAOYSA-N	316.789	0.070	70	10	DCIE	
Cn1c(C(=O)NC2CCN(S(=O)(=O)F)CC2)cnc1Cl	1974394933	RSNMIEXUWHCHFB-UHFFFAOYSA-N	324.765	0.482	70	10	DCIE	
Cc1nc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)cs1	2031744047	GKWUNGCFLBQNOM-SSDOTTSWSA-N	314.385	0.514	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@H]2COC[C@H]2C)c1S(=O)(=O)Cl	703437035	BLROUQSVEKQXML-VDTYLAMSSA-N	308.743	0.837	70	10	DCIE	
COc1nc(N2CCN3CCC[C@@H]3C2)ncc1[B-](F)(F)F	2172764707	HEMCSBQSEXDMTD-SECBINFHSA-N	301.101	0.824	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCO[C@H](CN(C)C)C2)n1	2172762117	FLNSSCHNMKBJTN-SNVBAGLBSA-N	303.117	0.606	70	10	DCIE	
CCN1C[C@@H]2C[C@H]1CN2c1ncc([B-](F)(F)F)c(OC)n1	2187559453	HUWZOSSHZCNPFI-IUCAKERBSA-N	301.101	0.822	70	10	DCIE	
CS(=O)(=O)[C@@H]1CCC[C@]2(CC(=O)N2S(=O)(=O)Cl)C1	2042646045	IESRUBPWILZVIV-VXNVDRBHSA-N	315.800	0.428	70	10	DCIE	
Cc1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c(N)c1	2287065546	NTRPLHULWDQWSF-SECBINFHSA-N	301.343	0.596	70	10	DCIE	
O=C(NC1CC1)[C@H]1COCCN1C(=O)c1cccc(Cl)n1	159515504	QYDUWBHRKKGYRR-LLVKDONJSA-N	309.753	0.855	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCc2cnc(C)cn2)cc1N	159617771	RFXPQEILUAUABC-UHFFFAOYSA-N	307.379	0.887	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(F)c(N)c1	159847511	BVVHSXYXOUTJAL-UHFFFAOYSA-N	303.359	0.601	70	10	DCIE	
NCC1(CNS(=O)(=O)C2CCS(=O)(=O)CC2)CCCC1	160449015	PVQVJNNUSWEWRN-UHFFFAOYSA-N	324.468	0.002	70	10	DCIE	
Cn1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3cccnc3)C2)n1	161014618	JHWQGAURXFYMJW-GFCCVEGCSA-N	315.333	0.434	70	10	DCIE	
CCNC(=O)NC(=O)CN1CCC[C@H](c2nncn2CC)C1	161316325	YAQMDFFBMBEJAH-NSHDSACASA-N	308.386	0.323	70	10	DCIE	
O=C(C=C1CCOCC1)N1CCN(C(=O)C(F)(F)F)CC1	216715295	FRSQZJMEROVYEC-UHFFFAOYSA-N	306.284	0.956	70	10	DCIE	
O=C(NCc1ccccc1Br)N(CCO)CCO	217314242	VYHDKILDHOSRLS-UHFFFAOYSA-N	317.183	0.945	70	10	DCIE	
CS(=O)(=O)[C@H]1CCCN(CCCS(=O)(=O)Cl)C1	310131146	KTFXBEAASYWYNC-VIFPVBQESA-N	303.833	0.454	70	10	DCIE	
C[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)Cl)cn2C)CO1	401457234	ICDVNDMHDIWLPM-HTQZYQBOSA-N	306.771	0.860	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1C[C@@H]2COC[C@H]2C1	718191219	CJPFWNCLHRFHSN-HTQZYQBOSA-N	304.755	0.661	70	10	DCIE	
CO[C@@H]1CCCN(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1263936124	UWNYNBFQMHZEID-MRVPVSSYSA-N	305.331	0.429	70	10	DCIE	
COC(=O)[C@@H]1CC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1303934074	GHCOBTUBBQJCQV-SFYZADRCSA-N	304.299	0.354	70	10	DCIE	
C#C[C@H]1CCN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1965832585	KJYCJCZAQNNNMB-VIFPVBQESA-N	303.336	0.741	70	10	DCIE	
COCCCS(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2028131261	SSTCWUBHIUGZMS-UHFFFAOYSA-N	303.377	0.116	70	10	DCIE	
N#Cc1ccccc1S(=O)(=O)N1CC(S(=O)(=O)F)C1	2134974488	GKCPBZBBDMWLIW-UHFFFAOYSA-N	304.324	0.230	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCO[C@@H]3COCC[C@H]32)n1	2172764973	KXYLBAFOCBHCDB-GHMZBOCLSA-N	302.085	0.834	70	10	DCIE	
COc1nc(N2CC[S@@](=O)C(C)(C)C2)ncc1[B-](F)(F)F	2172768079	CTLLFBWKKPRRNM-OAQYLSRUSA-N	322.141	0.887	70	10	DCIE	
COc1nc(N(C)[C@H]2COC[C@@H]2OC)ncc1[B-](F)(F)F	2177286285	YPQYCUWERUOYHF-IUCAKERBSA-N	306.073	0.390	70	10	DCIE	
CN(c1ncncc1[B-](F)(F)F)[C@H]1CO[C@@]2(CCOC2)C1	2178997283	WKFFPRBHCHAQSA-SKDRFNHKSA-N	302.085	0.915	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CC[C@H](S(C)(=O)=O)C2)n1	2179894365	QFGPHVKHZWRSLV-VIFPVBQESA-N	322.141	0.771	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@@H]1CCCCNC1=O	2182343861	PFELEJAQMLRYIU-MRVPVSSYSA-N	321.786	0.798	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccc(F)cc1F	2287076189	QRZAOLKJWSVDOQ-QMMMGPOBSA-N	308.281	0.983	70	10	DCIE	
COCCn1c(-c2ccccn2)nnc1S(=O)(=O)Cl	133324284	GVIGQYNNMVOTOD-UHFFFAOYSA-N	302.743	0.914	70	10	DCIE	
C[C@@H](O)[C@H](N)CNc1cnn(CC(F)(F)F)c(=O)c1Cl	159551817	YNWMSMKCVRCLLX-PHDIDXHHSA-N	314.695	0.579	70	10	DCIE	
Cc1noc([C@H](C)N2CCN(C(=O)C[C@H](O)C(C)C)CC2)n1	159661915	BDKUJDPKPSMZEE-AAEUAGOBSA-N	310.398	0.990	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cc(N)c(F)cc2F)CCOC1	159909134	MLTHGMRJWKWSTL-GFCCVEGCSA-N	322.333	0.631	70	10	DCIE	
CNc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)C)cn1	159970776	DAMVVFNZNJSZBY-UHFFFAOYSA-N	300.384	0.316	70	10	DCIE	
C[C@H]1OCC[C@@H]1N(C)C(=O)c1cc(F)cc(S(N)(=O)=O)c1	160505703	ICGISHVADVAMNZ-PELKAZGASA-N	316.354	0.723	70	10	DCIE	
CCCNc1nnc(C(=O)NC[C@]2(OC)CCOC2)s1	161253249	PXTRNXNBNPEAQK-GFCCVEGCSA-N	300.384	0.895	70	10	DCIE	
CCCc1cc(S(=O)(=O)Cl)n(CCS(C)(=O)=O)n1	203535411	RJYZBHQTZFEUOK-UHFFFAOYSA-N	314.816	0.808	70	10	DCIE	
O=C(Nc1nc2c(s1)C(=O)NCCC2)c1cc[nH]c(=O)c1	218512626	PMNORVSZGPUZNJ-UHFFFAOYSA-N	304.331	0.760	70	10	DCIE	
Cc1cc(S(=O)(=O)CCS(=O)(=O)Cl)c(C#N)cn1	399484758	DYRLTCUANYQEPE-UHFFFAOYSA-N	308.768	0.604	70	10	DCIE	
O=S(=O)(Cl)C[C@@H]1CCO[C@@]2(CCCS(=O)(=O)C2)C1	958530036	AGPSVULUOGFACT-ZJUUUORDSA-N	316.828	0.929	70	10	DCIE	
C#CCN[C@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1567230167	CFLUPEROJASVEK-SECBINFHSA-N	301.343	0.404	70	10	DCIE	
Cn1cc(C(=O)N2CCC(S(=O)(=O)F)CC2)ccc1=O	1915583830	LUGARSLORRZLAR-UHFFFAOYSA-N	302.327	0.289	70	10	DCIE	
CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)F	1954656133	MDQIRMNVVUMIQP-SECBINFHSA-N	312.363	0.768	70	10	DCIE	
O=C(c1ccc2c(c1)OCO2)N1CC(CS(=O)(=O)F)C1	1968215680	KQZNTDCMMROWSG-UHFFFAOYSA-N	301.295	0.787	70	10	DCIE	
O=C(C1CC(Br)C1)N1CC(CS(=O)(=O)F)C1	1992831688	PHBUWYAFLCGWPR-UHFFFAOYSA-N	314.176	0.918	70	10	DCIE	
COc1nsc(OC)c1[C@H]1CC(=O)N1S(=O)(=O)Cl	2027483865	SULFHMZFCSJDJO-SCSAIBSYSA-N	312.756	0.917	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@H]1CCS(=O)(=O)C1	2031473337	WPLQTKRXHJOLOO-MRVPVSSYSA-N	312.800	0.554	70	10	DCIE	
CO[C@@H](C)CCS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2109250388	VRHSXJFICNOGMS-UWVGGRQHSA-N	317.404	0.505	70	10	DCIE	
CCn1c([C@]2(OC)CCCOC2)nnc1S(=O)(=O)Cl	2109868989	OWHCZQALZBAPRU-JTQLQIEISA-N	309.775	0.878	70	10	DCIE	
Cc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1O[C@@H](C)C(N)=O	2155019707	WBNOXSGGJYAZDG-LURJTMIESA-N	321.738	0.873	70	10	DCIE	
Cc1nc(N2CCOCCC23COC3)ncc1[B-](F)(F)F	2172768957	QJATYKMMKIZBRM-UHFFFAOYSA-N	302.085	0.835	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2C[C@@H]3OCCN(C)[C@@H]3C2)n1	2172770865	RAGRMUZPZOIAGE-NEPJUHHUSA-N	300.113	0.964	70	10	DCIE	
N#Cc1cccc(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)c1	2199688824	ZLDGOCWYYYKSHB-UHFFFAOYSA-N	318.351	0.478	70	10	DCIE	
O=C(Cc1ccccc1Cl)NC1CN(S(=O)(=O)F)C1	2268805590	ZMXXYMVODLBJCN-UHFFFAOYSA-N	306.746	0.897	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)C[C@H]2COCCO2)n1	2280500231	NAAMIKHLCPKBFT-VIFPVBQESA-N	305.085	0.996	70	10	DCIE	
C#C[C@H]1CC[C@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CC1	2363897520	YOWJPBUFHZLWML-SRVKXCTJSA-N	302.371	0.831	70	10	DCIE	
CN1CC[C@@H](n2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)C1=O	127629420	HJWOHMHOIHKQKR-RXMQYKEDSA-N	308.703	0.122	70	10	DCIE	
CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)F)[C@@H]2COC[C@@H]12	1954655466	HLECCPUBUJXXML-DJLDLDEBSA-N	310.347	0.425	70	10	DCIE	
CCn1c(C2(OC)CCOCC2)nnc1S(=O)(=O)Cl	692038589	JDVUOCJPFYFPQU-UHFFFAOYSA-N	309.775	0.878	70	10	DCIE	
CC1(C)C[C@@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)O1	2133032197	RXXWMAVDMGSJPK-LURJTMIESA-N	308.743	0.444	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2CCCOC2)c1S(=O)(=O)Cl	115798874	QKVWZBNRBUEKMB-MRVPVSSYSA-N	321.786	0.802	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cccc(N)c2C)CCOC1	159910711	VBUKGLKRHQCOQL-CYBMUJFWSA-N	300.380	0.661	70	10	DCIE	
CCN(CC)S(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1O	160324555	WEOUTFNXNSBRCH-UHFFFAOYSA-N	322.408	0.794	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1cnccc1Cl	161499122	UEQASNTZDOUDBL-UHFFFAOYSA-N	320.798	0.897	70	10	DCIE	
COC[C@@H](C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2028131126	SFZIJHZGFRRDSX-RKDXNWHRSA-N	303.377	0.115	70	10	DCIE	
CCCS(=O)(=O)NC1CN(c2ncncc2[B-](F)(F)F)C1	2172780254	NRBYQONOHKBJBX-UHFFFAOYSA-N	323.129	0.049	70	10	DCIE	
Cn1nnnc1COc1ccc(S(=O)(=O)F)c(F)c1F	2191434409	JZAHMCPCEHJCLV-UHFFFAOYSA-N	308.241	0.726	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2C[C@]23CCOC3)c1S(=O)(=O)Cl	2198310643	KLPROWUNXKPGHE-CPCISQLKSA-N	319.770	0.554	70	10	DCIE	
COc1cccc(O)c1C(=O)N1CC(CS(=O)(=O)F)C1	2199686906	DAVQFXKGICHPKL-UHFFFAOYSA-N	303.311	0.772	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1csc([N+](=O)[O-])c1	2287076637	AMILREVYSYPZOU-SSDOTTSWSA-N	323.327	0.675	70	10	DCIE	
O=C(c1ccn(C(F)(F)F)n1)N1CC[C@H](S(=O)(=O)F)C1	2295208725	HYGMSVVFTWLCRN-LURJTMIESA-N	315.248	0.873	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cn1)[C@@H]1CC[C@@H](S(C)(=O)=O)C1	2361708122	HALRKWSSKFGRQB-NXEZZACHSA-N	322.141	0.933	70	10	DCIE	
O=S(=O)(F)c1ccccc1NS(=O)(=O)c1c[nH]cn1	228315113	KOQDITYJFFCCHS-UHFFFAOYSA-N	305.312	0.869	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@H](C)COC)c1S(=O)(=O)Cl	115799706	BZWKVBKPEMHGCG-ZETCQYMHSA-N	323.802	0.912	70	10	DCIE	
COc1ccc([C@H]2CC(=O)N2S(=O)(=O)Cl)nc1OC	2119595292	MVMFYXVECYHKAW-SSDOTTSWSA-N	306.727	0.856	70	10	DCIE	
O=C(NC[C@@H](O)c1ccccc1F)N[C@H]1CCc2ncnn2C1	161330334	IVYOTMXSCCHUHN-GXFFZTMASA-N	319.340	0.765	70	10	DCIE	
CCNS(=O)(=O)c1ccc(/C=C/C(=O)NC2(CO)CC2)cc1	160332162	QOAHSVQFBQLASQ-VMPITWQZSA-N	324.402	0.639	70	10	DCIE	
O=C(CNC(=O)c1cccnc1)Nc1nnc(C(F)(F)F)[nH]1	160803626	FFTQBPVHGSKJSO-UHFFFAOYSA-N	314.227	0.587	70	10	DCIE	
CCNc1ccc(S(=O)(=O)NCCNC(=O)C2CC2)cc1	160966022	DYVPYLYYVZGDRV-UHFFFAOYSA-N	311.407	0.923	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1C[C@H](C(N)=S)c1ccccc1	159816675	LURZBJOQKHTNCI-STQMWFEESA-N	307.419	0.503	70	10	DCIE	
CCOCCS(=O)(=O)N1CCC(Cn2cccn2)CC1	159396214	MLSKROGFEJCKRQ-UHFFFAOYSA-N	301.412	0.961	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)[C@@H](CCC)C(N)=S	159780033	FHXPOJANBKBYSZ-QWRGUYRKSA-N	315.439	0.442	70	10	DCIE	
C[C@@H](C(=O)NC1CC1)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215925052	KDLMPDFCBHBFHK-YFKPBYRVSA-N	322.730	0.558	70	10	DCIE	
C[C@@H]1C[C@@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)[C@@H](C)O1	1923156449	LBNWLAOVEKXHHE-BWZBUEFSSA-N	305.331	0.252	70	10	DCIE	
Cc1[nH]nc(C(=O)NC2(C)CCOCC2)c1S(=O)(=O)Cl	122101091	RKEAOXUSFORDME-UHFFFAOYSA-N	321.786	0.945	70	10	DCIE	
O=C(CCn1ccnc1)NC1CCN(S(=O)(=O)F)CC1	1974402118	JXDQTSBTXPKWIO-UHFFFAOYSA-N	304.347	0.068	70	10	DCIE	
CC(C)n1ncc(N(C)C[C@@H]2CNCCO2)c(Cl)c1=O	159855294	XEYVBLCUNZYTJZ-JTQLQIEISA-N	300.790	0.902	70	10	DCIE	
Cc1c(C(F)(F)F)cccc1S(=O)(=O)NC[C@H](O)CO	160913249	BRXCIBHHCQSDJK-QMMMGPOBSA-N	313.297	0.645	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1Cc1cn(C)cn1	2151452192	LLXVEQDWFANPNN-UHFFFAOYSA-N	319.730	0.809	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2CC[C@@H](C)O2)c1S(=O)(=O)Cl	398167632	NCMQFQSVRVCEHQ-HTRCEHHLSA-N	321.786	0.943	70	10	DCIE	
CC1(S(=O)(=O)NC2CCN(S(=O)(=O)F)CC2)CC1	2049910992	CYVJUONKSOBINT-UHFFFAOYSA-N	300.377	0.137	70	10	DCIE	
CN1CC[C@@H]2OCCN(c3ncc([B-](F)(F)F)cn3)[C@H]2C1	2185497844	SRXJQOMMGPDUDO-QWRGUYRKSA-N	301.101	0.440	70	10	DCIE	
CCNC(=O)[C@@H](C)Nc1ccc(S(=O)(=O)NC)c(N)c1	159593323	PAYRBQRXMARCTP-MRVPVSSYSA-N	300.384	0.113	70	10	DCIE	
O=C(CN1C(=O)c2ccccc2C1=O)N1C[C@@H]2CCC[C@H](C1)N2	160144314	PIEORARJOSSNEC-TXEJJXNPSA-N	313.357	0.636	70	10	DCIE	
COCCNCc1ccc(S(=O)(=O)NC[C@H]2C[C@H]2C)o1	160353594	ZHZPJFNEIITEOL-GHMZBOCLSA-N	302.396	0.950	70	10	DCIE	
C[C@@](O)(CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1	161063017	SBWWVAZXFSLOBQ-XJKSGUPXSA-N	315.377	0.800	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N[C@H]2CCCOC2)cc1	163322265	KGFZSGXLYMCNSL-VIFPVBQESA-N	323.367	0.802	70	10	DCIE	
C[C@@]1(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)CC1(F)F	689314726	OWWGWVBWEGLRAY-QMMMGPOBSA-N	314.697	0.922	70	10	DCIE	
O=C(Cn1cncn1)Nc1ccc(S(=O)(=O)F)c(F)c1	1131548750	CDHFAWMPCWRTSG-UHFFFAOYSA-N	302.262	0.714	70	10	DCIE	
COCCn1c([C@@H]2C[C@@H]2Cl)nnc1S(=O)(=O)Cl	2020455778	DWDMDOTTXBYCAH-RITPCOANSA-N	300.167	0.947	70	10	DCIE	
O=C(N[C@@H]1C[C@@H]2COC[C@@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2087577360	UZJDFCIPMUTDSR-BWVDBABLSA-N	304.755	0.707	70	10	DCIE	
O=S1(=O)CC[C@H](COc2c(F)cccc2[B-](F)(F)F)N1	2089980972	ZWOGDNFTUJPACL-SSDOTTSWSA-N	312.073	0.951	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)C[C@H]2CN(C)CCO2)n1	2172769312	VSTWBGXOXMGEBJ-SNVBAGLBSA-N	303.117	0.606	70	10	DCIE	
O=C(Cn1nc(O)ccc1=O)N1CCC[C@H]([B-](F)(F)F)C1	2190462403	HYXHIRKAPVUCJS-QMMMGPOBSA-N	304.057	0.789	70	10	DCIE	
CO[C@@H]1CC[C@@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2227913396	NJSJHOLTGJHJQA-RNFRBKRXSA-N	308.743	0.301	70	10	DCIE	
COCCCN1C(=O)c2ccc(NC(=O)NCCO)cc2C1=O	217280917	MBROYOVKOXHZSO-UHFFFAOYSA-N	321.333	0.433	70	10	DCIE	
CC1CCN(S(=O)(=O)NCCS(=O)(=O)Cl)CC1	124136488	GUXUIAYDCSPYIO-UHFFFAOYSA-N	304.821	0.121	70	10	DCIE	
CN(C[C@H]1CN(S(=O)(=O)F)CCO1)C(=O)OC(C)(C)C	1954654859	BXSBIJWFUVBBPT-VIFPVBQESA-N	312.363	0.768	70	10	DCIE	
O=C(NC[C@]1(O)C[C@H]2C=C[C@H]1C2)c1cc(S(=O)(=O)F)c[nH]1	1521709335	YAYCVQVCSOZNKV-MWODSPESSA-N	314.338	0.730	70	10	DCIE	
O=C(N[C@H]1CCc2ncnn2C1)N[C@@H]1c2ccccc2C[C@@H]1O	161080749	CWXJYVHEHHLFDQ-CORIIIEPSA-N	313.361	0.550	70	10	DCIE	
CC(C)CS(=O)(=O)CC(=O)NC[C@H](O)CN1CCCCC1	160145871	AHJKDLQSUMRTAE-ZDUSSCGKSA-N	320.455	0.020	70	10	DCIE	
Nc1ccc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cn1	160336363	WPGDHUYMONBFFE-RISCZKNCSA-N	311.407	0.980	70	10	DCIE	
COc1cccc(CN(C)S(=O)(=O)NCC(C)(C)CO)c1	160355027	OBABRHLFGRHZCY-UHFFFAOYSA-N	316.423	0.980	70	10	DCIE	
C[C@@H]1CCC[C@H](OC[C@H](O)CNCCNC(=O)N(C)C)C1	160930680	DJNOUYWXPJAIPE-MCIONIFRSA-N	301.431	0.803	70	10	DCIE	
CSC[C@@](C)(O)CNC(=O)[C@H]1CC(=O)N(CC2CC2)C1	217697143	AFBZCISYDQJUMI-FZMZJTMJSA-N	300.424	0.475	70	10	DCIE	
CO[C@H](C(=O)N1CC[C@@H](S(=O)(=O)F)C1)[C@@H]1CCCOC1	2150281267	LMHUAZLJQXWOSK-MXWKQRLJSA-N	309.359	0.328	70	10	DCIE	
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](S(=O)(=O)F)C1	2144732835	JWBAWAAAPLFIMV-RKDXNWHRSA-N	308.375	0.437	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2OCC[C@H]2C)c1S(=O)(=O)Cl	2152425407	QWCJBBXTJZWCHI-HTRCEHHLSA-N	321.786	0.800	70	10	DCIE	
CC(C)n1nnnc1CN(C)c1ncc([B-](F)(F)F)cn1	2196256355	QEBKNDPMCJUJKE-UHFFFAOYSA-N	300.077	0.735	70	10	DCIE	
Cn1c([C@H]2CCc3nc[nH]c3C2)nnc1S(=O)(=O)Cl	2088320726	KDIHMQCLBXRVMT-LURJTMIESA-N	301.759	0.738	70	10	DCIE	
C[C@@H]1CN(C(=O)c2ccc3nnn(C)c3c2)CCS1(=O)=O	159699562	BQGLFPONSPLHQO-SECBINFHSA-N	308.363	0.227	70	10	DCIE	
CC1(C)[C@@H]2CNC[C@@H]2CN1c1cnn(CCO)c(=O)c1Cl	159755223	YBWVKXVSHLHDLH-NXEZZACHSA-N	312.801	0.323	70	10	DCIE	
CC[C@@H]1CC[C@@H](NC)[C@@H](N2CCN(S(C)(=O)=O)CC2)C1	217962217	FEMSZYYBKBVRCY-MCIONIFRSA-N	303.472	0.730	70	10	DCIE	
C[C@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC#N	1266175357	JWBLIDXBWFVXAU-MRVPVSSYSA-N	302.331	0.294	70	10	DCIE	
Cc1nn(C)c(C(=O)N2CC(CS(=O)(=O)F)C2)c1Cl	1968226876	IDHINOUUBGNWNJ-UHFFFAOYSA-N	309.750	0.753	70	10	DCIE	
Cc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001232	PHSNEFIVQPQKCQ-UHFFFAOYSA-N	304.347	0.009	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)c2ccc(Cl)nc2)C1	2078991565	YKZSTCFCRRJHOL-UHFFFAOYSA-N	314.747	0.407	70	10	DCIE	
C[C@H]1CCCN(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)C1	2088469675	PNGPDBXJSUSVBU-UWVGGRQHSA-N	314.404	0.337	70	10	DCIE	
CC(C)N(C)CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2092366076	BKNWYHHWVMSJGC-UHFFFAOYSA-N	309.775	0.217	70	10	DCIE	
O=S1(=O)CC[C@H](COCc2ccccc2[B-](F)(F)F)N1	2136015156	QPVIGZKBOMHULE-SNVBAGLBSA-N	308.110	0.949	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1C[C@@H]2CCO[C@@H]2C1	2172080569	ANEWWDZXCRMVDY-GZMMTYOYSA-N	318.782	0.814	70	10	DCIE	
CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc([B-](F)(F)F)cn1	2172785723	WCWJHSJMWHSRMG-NXEZZACHSA-N	323.125	0.384	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2CC(C)(C)O2)c1S(=O)(=O)Cl	2189562974	LUWYEFPWDVLWPE-ZETCQYMHSA-N	321.786	0.943	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NCC[C@H]1CCO1	2278594763	ZPRZTKJDJFHONZ-QMMMGPOBSA-N	306.771	0.861	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)C[C@@H]2COCCO2)n1	2280500230	NAAMIKHLCPKBFT-SECBINFHSA-N	305.085	0.996	70	10	DCIE	
CO[C@@H]1[C@H](OC)CN(c2ncncc2[B-](F)(F)F)[C@H]1CF	2366549809	JPIBUIMJIOQDJG-AEJSXWLSSA-N	308.064	0.719	70	10	DCIE	
CCNC(=O)N1CC[C@H](NC(=O)N(CCN(C)C)C(C)C)C1	159680315	AFJITOXYNIBPDP-ZDUSSCGKSA-N	313.446	0.772	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1C(=O)C(CC)(CC)C(N)=S	159772300	XPPIRBLHLUSGGZ-SNVBAGLBSA-N	315.439	0.442	70	10	DCIE	
CN(C)C(=O)NCCN[C@H]1CCS(=O)(=O)c2ccccc21	160750710	OYWPKQZISAMWKH-LBPRGKRZSA-N	311.407	0.766	70	10	DCIE	
COC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1	218055164	BGSMJXPUIWXGDE-VXGBXAGGSA-N	304.412	0.848	70	10	DCIE	
COc1ccc(S(=O)(=O)N(C)CCS(=O)(=O)F)cc1	883952965	CNQKDKYBLBSNHN-UHFFFAOYSA-N	311.356	0.615	70	10	DCIE	
CC[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC(C)=O	1531495040	VXFZJEFNEKRCPW-QMMMGPOBSA-N	305.331	0.317	70	10	DCIE	
N#CCC1CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	1972724807	YITDXXZMDBIYML-UHFFFAOYSA-N	318.351	0.879	70	10	DCIE	
O=C(COC1CCCCC1)N1CCN(S(=O)(=O)F)CC1	1974000502	ATGVSLPWNFDWDH-UHFFFAOYSA-N	308.375	0.694	70	10	DCIE	
C[C@H](CC(F)(F)F)C(=O)NCC1CN(S(=O)(=O)F)C1	1974060174	RWADESPJFORBES-ZCFIWIBFSA-N	306.281	0.837	70	10	DCIE	
CS(=O)(=O)CCS(=O)(=O)N1CCC[C@H]([B-](F)(F)F)C1	2070264263	NOCFNZQELSORMP-QMMMGPOBSA-N	322.159	0.674	70	10	DCIE	
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)s1	2088469186	KJOXWLWIUZCQTR-MRVPVSSYSA-N	324.380	0.682	70	10	DCIE	
COC[C@@H]1C[C@@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2133554660	JWHXPZTXBQFKGL-RQJHMYQMSA-N	308.743	0.159	70	10	DCIE	
O=C1C[C@H](Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)CCN1	2165521974	OJSAJTARMOCEHA-ZCFIWIBFSA-N	322.730	0.245	70	10	DCIE	
CS(=O)(=O)C1(C(=O)Nc2ccccc2S(=O)(=O)F)CC1	2167888938	XQGNSEQSLYGCOM-UHFFFAOYSA-N	321.351	0.861	70	10	DCIE	
C[C@H]1CC[C@@H](CC(=O)NC2CCN(S(=O)(=O)F)CC2)O1	2169021229	MBYBKGHTPMXSSK-ONGXEEELSA-N	308.375	0.739	70	10	DCIE	
CNC(=O)COc1c(C)cc(C(=O)O)cc1S(=O)(=O)F	2191430333	BCIUGYMNGYFZMK-UHFFFAOYSA-N	305.283	0.476	70	10	DCIE	
CCOCCOCCOCCOC(=O)NS(=O)(=O)Cl	2231134906	XJPQFZVKGNCWEE-UHFFFAOYSA-N	319.763	0.266	70	10	DCIE	
CC1CCN(CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)CC1	7459633	KDQOBRWVKIASKI-QWRGUYRKSA-N	308.831	0.239	70	10	DCIE	
O=c1[nH]c(=O)n(CCC(F)(F)F)cc1S(=O)(=O)Cl	114775763	ZFTYGHNGJWTOJJ-UHFFFAOYSA-N	306.649	0.417	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(C)CC(=O)NC(C)C)cc1N	159601875	GMFWVHWNKXUZJR-UHFFFAOYSA-N	314.411	0.138	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)[C@H](CC)C(N)=S	159778277	PNSDHGRTBYZKKN-NXEZZACHSA-N	301.412	0.052	70	10	DCIE	
Cc1cc(C[C@@H](C)NC(=O)c2cccc(OCC(N)=O)c2)n[nH]1	161366155	XTFQHCKZNILEAR-SNVBAGLBSA-N	316.361	0.943	70	10	DCIE	
CN(C)C[C@H](Cc1ccccc1)NC(=O)C1(NC(N)=O)CC1	161496956	AAWXTDHBHGFNTO-ZDUSSCGKSA-N	304.394	0.476	70	10	DCIE	
CO[C@H](C)CNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	224107271	VVTWEKLYDPJEGF-MRVPVSSYSA-N	311.356	0.658	70	10	DCIE	
CC[C@@H]1[C@@H](CO)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1348404419	GDNNLSASTMJQAJ-LDYMZIIASA-N	304.343	0.906	70	10	DCIE	
COC[C@H](C)S(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2028131125	SFZIJHZGFRRDSX-IUCAKERBSA-N	303.377	0.115	70	10	DCIE	
CO[C@@H](C)CCS(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2046886139	NQMNOAJPZKXRCA-DTWKUNHWSA-N	303.377	0.115	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)c2cccnc2Cl)C1	2078996132	CLQJEQAEQVEVIL-UHFFFAOYSA-N	314.747	0.407	70	10	DCIE	
COc1nc(OC[C@H]2COCCCO2)ncc1[B-](F)(F)F	2172631695	FIUMLUZLXUXTGQ-MRVPVSSYSA-N	307.057	0.724	70	10	DCIE	
Cc1cc(O[C@@H](C)C(N)=O)c([N+](=O)[O-])cc1S(=O)(=O)F	2191413663	IUGABYZOVHYJQV-LURJTMIESA-N	306.271	0.814	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(OCCN2CCOC[C@H]2C)n1	2285427781	DQFHMOMIZVPFQZ-SECBINFHSA-N	304.101	0.939	70	10	DCIE	
O=S1(=O)C[C@H](O)[C@@H](NCCc2cccc3cccnc23)C1	159391085	WFPWAZGDPSFIQA-KBPBESRZSA-N	306.387	0.525	70	10	DCIE	
NC(=S)c1ccnc(N2CCOC[C@@H]2C(=O)NC2CC2)c1	159806942	LKMTVFKGKABCHV-LLVKDONJSA-N	306.391	0.200	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc([C@H](C)O)cc2)CCOC1	161088593	MCZSIDBKUSTAEV-SMDDNHRTSA-N	315.391	0.824	70	10	DCIE	
CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H](O)C1)CC2	161367586	UQJFZLULLANUSS-NWDGAFQWSA-N	307.398	0.883	70	10	DCIE	
Cc1noc(C)c1CCC(=O)NC[C@@H](O)Cn1ccccc1=O	218397077	DCGAENPUAKUHNR-CYBMUJFWSA-N	319.361	0.563	70	10	DCIE	
NC(=S)c1cccc(OC[C@H](O)CN2CCC[C@@H](O)C2)c1	218447938	UJLIAWUMLLSHEQ-CHWSQXEVSA-N	310.419	0.517	70	10	DCIE	
CC(C)N1CC[C@H](CNC[C@@H](O)COC[C@@H]2CCCO2)C1	218763388	JXWZGNPGUPXFSH-OAGGEKHMSA-N	300.443	0.863	70	10	DCIE	
Cn1cc(Cc2nnc(S(=O)(=O)Cl)n2C2CC2)cn1	695564249	YJTACYHSFLCHEI-UHFFFAOYSA-N	301.759	0.865	70	10	DCIE	
COCC1(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CC1	700033096	ADMWMEHLLNWTPV-UHFFFAOYSA-N	323.367	0.802	70	10	DCIE	
O=C(COc1ccccc1)NCC1CN(S(=O)(=O)F)C1	1974060101	QQRVIBANHYMYSQ-UHFFFAOYSA-N	302.327	0.328	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1	2088472757	UAXQOFYYYSKFOF-JTQLQIEISA-N	314.404	0.481	70	10	DCIE	
CCn1c([C@]2(COC)CCCO2)nnc1S(=O)(=O)Cl	2090725635	NYSVNSRFSNMNGV-SNVBAGLBSA-N	309.775	0.878	70	10	DCIE	
CCCn1c(-c2cc(O)ncn2)nnc1S(=O)(=O)Cl	2109508399	ZKZITJUYVMPOMG-UHFFFAOYSA-N	303.731	0.778	70	10	DCIE	
CCc1cc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)n(CC)n1	2144732400	FKANGDZMRWBEMV-SNVBAGLBSA-N	303.359	0.979	70	10	DCIE	
COc1nc(N2CCN(C)C[C@@H](C)C2)ncc1[B-](F)(F)F	2172770493	LXMSMBHXOXFTDD-SECBINFHSA-N	303.117	0.928	70	10	DCIE	
CCS(=O)(=O)N1CCN(c2ccc([B-](F)(F)F)cn2)CC1	2172780407	PTYVEENFASNKAG-UHFFFAOYSA-N	322.141	0.608	70	10	DCIE	
CN1CCO[C@@H](c2nnc(S(=O)(=O)Cl)n2C(C)(C)C)C1	2187814585	JDLZQDQVVNPDMD-MRVPVSSYSA-N	322.818	0.964	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F	2287069677	BWODEWYCZXHGPQ-FNCVBFRFSA-N	312.313	0.683	70	10	DCIE	
C[C@@]1([B-](F)(F)F)CCN(S(=O)(=O)N2CCOCC2)C1	2319682862	MZQKLNWOSJPZTO-SECBINFHSA-N	301.119	0.877	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1c1ccc(C(N)=S)cn1	159804190	SANKKGXGWVMVHY-LLVKDONJSA-N	308.407	0.447	70	10	DCIE	
O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@]2(O)CCCC[C@H]2C1	160467132	IUZAQLJORZGGAQ-MBNYWOFBSA-N	301.408	0.575	70	10	DCIE	
CN1C(=O)c2ccc(C(=O)N3C[C@@H]4CCC[C@H](C3)N4)cc2C1=O	160719066	WETODJKSWRGSQA-TXEJJXNPSA-N	313.357	0.879	70	10	DCIE	
NC(=O)NCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21	160861494	WMCQTNIBCMRLLJ-SNVBAGLBSA-N	301.343	0.302	70	10	DCIE	
CCO[C@@H]1C[C@@H]1c1nnc(S(=O)(=O)Cl)n1CCOC	689948283	DGYHJTRGRZQQTL-JGVFFNPUSA-N	309.775	0.744	70	10	DCIE	
Cn1ncc(S(=O)(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)n1	1879788062	KRSKZZFJKMFKHQ-APPZFPTMSA-N	309.102	0.817	70	10	DCIE	
Cc1cccc(C(=O)NC2CCN(S(=O)(=O)F)CC2)n1	1974402076	JQSLICCVWAPYDL-UHFFFAOYSA-N	301.343	0.799	70	10	DCIE	
CCS(=O)(=O)[C@@H]1CCN(CCCCS(=O)(=O)Cl)C1	2059345174	VDAKYGLUPGHFSG-SNVBAGLBSA-N	317.860	0.844	70	10	DCIE	
Cc1cc(N2CC(NS(C)(=O)=O)C2)ncc1[B-](F)(F)F	2116138545	NRQVUYSVLPGHHT-UHFFFAOYSA-N	308.114	0.182	70	10	DCIE	
CCN(c1ncc([B-](F)(F)F)cn1)[C@H]1CCS(=O)(=O)C1	2116139554	AXZIALYAYGGNLG-VIFPVBQESA-N	308.114	0.544	70	10	DCIE	
CCN(c1ncc([B-](F)(F)F)c(C)n1)[C@H]1CCS(=O)(=O)C1	2172769143	SSGAQBLAPHGYJV-VIFPVBQESA-N	322.141	0.853	70	10	DCIE	
CC(C)n1nnnc1CN(C)c1ncncc1[B-](F)(F)F	2196255637	HNPYYINYYGCVNN-UHFFFAOYSA-N	300.077	0.735	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC12COCC(C1)C2	2236440120	DGZHRPGTZWDXRG-UHFFFAOYSA-N	320.754	0.303	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C1CC2(C1)CC21CC1	2287065373	LUXGLCPLHDTMPN-QUNCOHTASA-N	302.371	0.972	70	10	DCIE	
CCO[C@@H]1CC[C@@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2287066289	APOMHXKQELQATJ-OUAUKWLOSA-N	308.375	0.596	70	10	DCIE	
C[C@H]1CN(c2ncc(F)cc2[B-](F)(F)F)CCS1(=O)=O	2132078260	ZALPKGCDNYOEKT-ZETCQYMHSA-N	311.089	0.898	70	10	DCIE	
COc1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n(C)n1	1134143638	CHRGJFJJRDZGNP-UHFFFAOYSA-N	302.287	0.667	70	10	DCIE	
CS(=O)(=O)C[C@@H](Cc1ccc(Br)cn1)NN	161143030	COOAQKLLDHRMHF-SECBINFHSA-N	308.201	0.263	70	10	DCIE	
C[C@H](NS(C)(=O)=O)C(=O)N(C)[C@H](C)Cc1ccc(O)cc1	160601829	SKSKMRSTKRRCMI-MNOVXSKESA-N	314.407	0.719	70	10	DCIE	
CCCn1cc(S(=O)(=O)NC[C@@H](C)N2CCCC2)c(N)n1	160755929	CUNROELTJVRGRQ-LLVKDONJSA-N	315.443	0.638	70	10	DCIE	
COc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)C)cc1N	159847101	ILNAAUTWFLZOTD-UHFFFAOYSA-N	315.395	0.470	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2C[C@@H]2COC)c1S(=O)(=O)Cl	2174355197	MJJKPGDSIRFYGM-HTRCEHHLSA-N	321.786	0.664	70	10	DCIE	
COCCN(C)C1CN(c2ncnc(C)c2[B-](F)(F)F)C1	2192532151	YYMVXHUPSTYIJU-UHFFFAOYSA-N	303.117	0.606	70	10	DCIE	
CS(=O)(=O)c1cccc(C(=O)N2CC(S(=O)(=O)F)C2)c1	2199685114	YYBIQQAGIQPHQL-UHFFFAOYSA-N	321.351	0.214	70	10	DCIE	
O=C([C@H]1C[C@@]12CCCOC2)N1CC(CCS(=O)(=O)F)C1	2199690028	VIADFGSAAHLISZ-DGCLKSJQSA-N	305.371	0.951	70	10	DCIE	
COCc1noc(Cn2cc(S(=O)(=O)Cl)nc2C)n1	2113363783	ODGQRNDSUWQBNF-UHFFFAOYSA-N	306.731	0.697	70	10	DCIE	
Cc1cccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1N	2287062217	CXRDWPBTYIQEKR-SECBINFHSA-N	301.343	0.596	70	10	DCIE	
NC(=O)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)F	1875882477	WATIYMWQUARUEY-UHFFFAOYSA-N	310.690	0.572	70	10	DCIE	
C[C@H](CNCCCO)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1715359844	IQOAUTOSPPBSNY-SECBINFHSA-N	321.374	0.105	70	10	DCIE	
O=C1CC[C@H]1CS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2121679840	WVOCWOSNBNVINP-DTWKUNHWSA-N	313.372	0.059	70	10	DCIE	
COC(=O)[C@H]1C[C@@H](C(=O)Nc2ncc(S(=O)(=O)F)s2)C1	1596011329	QHHDEAPXUFFPJT-OLQVQODUSA-N	322.339	0.939	70	10	DCIE	
COc1ccc(N2C[C@H](C(=O)NC3(CO)CC3)CC2=O)cc1	160216921	RERWGKVHDVRZIU-LLVKDONJSA-N	304.346	0.689	70	10	DCIE	
Cn1cc(S(=O)(=O)NCCc2ccccc2O)cc1C(N)=O	159670517	IVYJRTDRSIUDQD-UHFFFAOYSA-N	323.374	0.351	70	10	DCIE	
CNS(=O)(=O)CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	159741035	ZVLLWVAXROTZCQ-LLVKDONJSA-N	312.391	0.954	70	10	DCIE	
CC1(C)[C@@H]2CNC[C@H]2CN1c1cnn(CCO)c(=O)c1Cl	159755462	YBWVKXVSHLHDLH-VHSXEESVSA-N	312.801	0.323	70	10	DCIE	
CC(C)C[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)n1cnnn1	161214782	DLPOJDQITSJJDT-GJZGRUSLSA-N	317.393	0.980	70	10	DCIE	
COCCn1c(C[C@@H]2CCCCO2)nnc1S(=O)(=O)Cl	158084154	RABQIAIMGTYMKL-VIFPVBQESA-N	323.802	0.964	70	10	DCIE	
CN[C@H](CCN(C)CCS(C)(=O)=O)c1ccc(F)cn1	161336919	OJIYHPHANKWMLQ-GFCCVEGCSA-N	303.403	0.848	70	10	DCIE	
N#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	166124741	YMIMVLRGCQCNES-UHFFFAOYSA-N	317.323	0.383	70	10	DCIE	
CS(=O)(=O)C[C@H]1CCCCN1CCCS(=O)(=O)Cl	2033838174	GKTYLAVBOCRYEE-SNVBAGLBSA-N	317.860	0.844	70	10	DCIE	
C[C@H]1OC2(C(=O)NC3CCN(S(=O)(=O)F)CC3)CC1C2	2193080679	HANVDVIWRJJAIO-YDNLMGDJSA-N	306.359	0.349	70	10	DCIE	
Cc1cc(O)ccc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287074503	GIYJUQKDPSTRJR-VIFPVBQESA-N	302.327	0.719	70	10	DCIE	
CNC(=O)c1cc([N+](=O)[O-])c(OC)c(S(=O)(=O)Cl)c1	115018091	NVJJSWNTQOESRY-UHFFFAOYSA-N	308.699	0.891	70	10	DCIE	
COC(=O)Cn1cc(CCn2nnc(-c3ccsc3)n2)nn1	159484647	UAACCVAEEQNWDF-UHFFFAOYSA-N	319.350	0.409	70	10	DCIE	
CCS(=O)(=O)[C@H]1CSCCN1C(=O)[C@@H](N)CCCOC	159495043	XVDBMAKZFQIQMZ-QWRGUYRKSA-N	324.468	0.077	70	10	DCIE	
O=C(NC1CC1)[C@@H]1COCCN1C(=O)c1cc(Cl)ccn1	159513972	OURDXJQOGPHPKF-LBPRGKRZSA-N	309.753	0.855	70	10	DCIE	
C[C@@H](N)c1cccc(S(=O)(=O)NCCNC(=O)N(C)C)c1	160937508	XQNKENSRHFGTPD-SNVBAGLBSA-N	314.411	0.256	70	10	DCIE	
CCN[C@@H](c1c(OC)cnn1CCN(C)C)C(OC)OC	161140739	IYDGAZMQMSFKGB-LBPRGKRZSA-N	300.403	0.723	70	10	DCIE	
O=C(CN1C(=O)CCC1=O)NC[C@@H]1CCCN1c1nccs1	217727247	AORJXIOIIBGSFO-JTQLQIEISA-N	322.390	0.377	70	10	DCIE	
CNC(=O)CCCn1nc([N+](=O)[O-])c(S(=O)(=O)Cl)c1C	383498765	ZETFOWHSRXITNP-UHFFFAOYSA-N	324.746	0.553	70	10	DCIE	
CO[C@@H]1CC[C@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)C1	1974394767	OYXOUJWKVRJPCY-GXSJLCMTSA-N	308.375	0.596	70	10	DCIE	
CC(F)(F)CS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2028128404	KNOGOMQDLIISQE-SSDOTTSWSA-N	309.331	0.735	70	10	DCIE	
CN1CCO[C@H]2CCN(c3ncncc3[B-](F)(F)F)C[C@@H]21	2185495574	FCPUQPCYFGSRNU-QWRGUYRKSA-N	301.101	0.440	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1c[nH]nc1C1CC1	2287063680	SRJROAXIHAHWKE-MRVPVSSYSA-N	302.331	0.306	70	10	DCIE	
Cc1cc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)nnc1C	2287074176	BXNXZXOYWWNALF-VIFPVBQESA-N	302.331	0.112	70	10	DCIE	
COC(=O)[C@H]1CCN(S(=O)(=O)c2cc(N)cc(C)c2F)C1	159551574	GEXLEVRKZMKYFG-VIFPVBQESA-N	316.354	0.900	70	10	DCIE	
CN(C)CCn1ncc(N(C)CC(C)(C)CN)c(Cl)c1=O	159772767	IPQZQMQKNZUYFT-UHFFFAOYSA-N	315.849	0.879	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NCCNC(=O)N(C)C)c1	160690958	RGIIOEUAJZOEBW-UHFFFAOYSA-N	300.384	0.127	70	10	DCIE	
CN(C)C(=O)NCCNS(=O)(=O)c1c(N)cccc1Cl	160697486	ZOESYYDOSURSSF-UHFFFAOYSA-N	320.802	0.472	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)Cc1cccc(N)c1	161009836	UNURZBSBWWEVHH-UHFFFAOYSA-N	314.407	0.572	70	10	DCIE	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2[C@@H](C)C[C@H]3CNC[C@@H]32)C1	217810154	LFIDAKGSQPTTGG-NDKCEZKHSA-N	301.456	0.891	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CCCN1CCOCC1	695803733	XAIHHJSZELVTAH-UHFFFAOYSA-N	307.803	0.841	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CC3(COC3)C2)cc1	697146623	IWBQYEHPXBWRNV-UHFFFAOYSA-N	321.351	0.366	70	10	DCIE	
COC(=O)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1133672969	VHMABSGJBAFNDR-ZETCQYMHSA-N	319.314	0.243	70	10	DCIE	
CC(=O)N(C)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1283660687	MWABTKVZFPQADI-UHFFFAOYSA-N	305.331	0.271	70	10	DCIE	
CC(C)n1nnc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1	1584918033	HJGJUYYFRCZKOH-UHFFFAOYSA-N	302.291	0.493	70	10	DCIE	
C#CCN(C)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1734054559	VVACNAPVJFNTFE-SECBINFHSA-N	301.343	0.356	70	10	DCIE	
COc1nc(N(C)CC2[C@@H]3COC[C@@H]23)ncc1[B-](F)(F)F	2174642413	NLKHJXAXMUBCRB-IUCAKERBSA-N	302.085	0.868	70	10	DCIE	
COC1CC(CCn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1	2187021372	RDVASVDCDIGYFM-UHFFFAOYSA-N	322.770	0.692	70	10	DCIE	
Cc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)o1	2271515950	LJBFWLOCRRAJDP-MRVPVSSYSA-N	312.344	0.155	70	10	DCIE	
COc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)cc1O	2284153962	TVDZXEMVDSKKFO-UHFFFAOYSA-N	304.299	0.029	70	10	DCIE	
COCCn1c(-c2ccnn2C)nnc1S(=O)(=O)Cl	133327223	QEWCNVUOLWAOGA-UHFFFAOYSA-N	305.747	0.253	70	10	DCIE	
COC[C@@H](N)[C@H](CO)Sc1ccc(S(C)(=O)=O)cc1	160204927	PCVHGUOJWWKPON-NEPJUHHUSA-N	305.421	0.517	70	10	DCIE	
CS(=O)(=O)N1CCN(CC[C@H](O)c2ccc(F)cn2)CC1	161383678	RIWNFIGVTSGFTK-ZDUSSCGKSA-N	317.386	0.221	70	10	DCIE	
O=C1CCC[C@@H](C(=O)Nc2ccccc2S(=O)(=O)F)N1	709687019	CCPJWTNWUVFTIS-VIFPVBQESA-N	300.311	0.952	70	10	DCIE	
O=C(Cc1ccc(S(=O)(=O)F)cc1)NCc1ncccn1	1537388372	VYMPPKRUTCEIJC-UHFFFAOYSA-N	309.322	0.994	70	10	DCIE	
CC#CCN[C@@H](C)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1571406239	XOZPSRYXURICFS-JTQLQIEISA-N	315.370	0.746	70	10	DCIE	
C[C@]1(C#N)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1	1617894898	IJMQMNODTWTKFA-NSHDSACASA-N	301.299	0.428	70	10	DCIE	
Cc1c(N)cc(OS(=O)(=O)F)cc1CN1CCNCC1	1887576913	HUKZYEDZEFLRPN-UHFFFAOYSA-N	303.359	0.576	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)[C@@H]1CS(=O)(=O)C1(C)C	1948276139	UQCHJWMLZTZZLR-MRVPVSSYSA-N	303.833	0.453	70	10	DCIE	
CC(=O)N[C@@H](CS(C)(=O)=O)C(C)(C)CS(=O)(=O)Cl	1952660816	ZVXTYGGXNMUIEM-QMMMGPOBSA-N	319.832	0.131	70	10	DCIE	
CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)F)CCCO1	1954657136	VQFKPGDSOHKVJN-VIFPVBQESA-N	312.363	0.816	70	10	DCIE	
Cc1nc(C(=O)NCC2CN(S(=O)(=O)F)C2)c(C)s1	1974055229	OHRUYRNFWHCZLG-UHFFFAOYSA-N	307.372	0.636	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1CC2(CCC2)CO1	1974055510	RYFODCPNIHWFAW-SNVBAGLBSA-N	306.359	0.208	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)C[C@@H]2CC[C@H](F)C2)C1	2078988145	DDCFTDYBFNDYNR-SFYZADRCSA-N	303.352	0.438	70	10	DCIE	
Cn1c([C@H]2CCn3nccc3C2)nnc1S(=O)(=O)Cl	2108980769	YVZYPDSERDRZPN-ZETCQYMHSA-N	301.759	0.669	70	10	DCIE	
COC[C@H](CN(C)c1ncc([B-](F)(F)F)c(OC)n1)OC	2172765821	XAORNQISYWLZLF-QMMMGPOBSA-N	308.089	0.637	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC1COCCOC1	2187904856	AHNUCPAHVQRCKI-UHFFFAOYSA-N	324.786	0.620	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)F)CC2(CN(C(=O)OC(C)(C)C)C2)O1	2242121461	BIYSYIAZRMLQJX-VIFPVBQESA-N	324.374	0.911	70	10	DCIE	
COCCNC(=O)c1cc(S(=O)(=O)Cl)ccc1OC	115017354	RJOYDFIORZBYPN-UHFFFAOYSA-N	307.755	0.999	70	10	DCIE	
COC(=O)Cn1ncc(N[C@@H](CN)C2CC2)c(Cl)c1=O	159581599	JFFKNTXVQMVZOO-QMMMGPOBSA-N	300.746	0.219	70	10	DCIE	
COc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)C)c(N)c1	159844041	LRUFRNJIPHUGNT-UHFFFAOYSA-N	315.395	0.470	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)Cc1cccc(CN)c1	159869732	RHPLPBDGWSRGTI-UHFFFAOYSA-N	313.423	0.479	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1[C@H](CCC)C(=O)OCC	160044366	UIBKGOQXRQSCRH-CHWSQXEVSA-N	300.399	0.945	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)Cc2ccccc2CN)CCOC1	160169999	RZTOCZFAYNJRRO-CQSZACIVSA-N	314.407	0.370	70	10	DCIE	
CC1(C)CC[C@@H](Cn2cc(S(=O)(=O)Cl)c(=O)[nH]c2=O)O1	160758596	GPAJMAWEEDRJDB-ZETCQYMHSA-N	322.770	0.422	70	10	DCIE	
O=C(N[C@H]1CCc2ncnn2C1)N1CCN2CCCC[C@@H]2C1	161151787	SYPRIRBICZNYMM-QWHCGFSZSA-N	304.398	0.473	70	10	DCIE	
C[C@H](Oc1cccc(CO)c1)C(=O)NC[C@@H](C)N1CCOCC1	161483399	VONWGQQNGIWFBK-KGLIPLIRSA-N	322.405	0.783	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@]2(C)CCOC2)c1S(=O)(=O)Cl	162388912	QJLXWRHYHRHHAR-JTQLQIEISA-N	307.759	0.554	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)C[C@@H]1CCCS1(=O)=O	694434351	WRYUTIWWIGALTH-VIFPVBQESA-N	303.833	0.454	70	10	DCIE	
Cn1[nH]cnc1=NC(=O)c1ccc(S(=O)(=O)F)cc1Cl	1533637729	FOHUXEKSTSFJQP-UHFFFAOYSA-N	318.717	0.801	70	10	DCIE	
Cc1c(N)cc(CN2CCNCC2)c(C)c1OS(=O)(=O)F	1887520571	KCQOFDRCCVEXEL-UHFFFAOYSA-N	317.386	0.884	70	10	DCIE	
Cc1c(OS(=O)(=O)F)cc(C(=O)O)cc1S(=O)(=O)F	1887561431	DKEPBRYHTJRJLK-UHFFFAOYSA-N	316.259	0.945	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccc(Cl)cn1	1974060549	VHXXQOADWMVSTR-UHFFFAOYSA-N	307.734	0.611	70	10	DCIE	
CCN1CCN(CCn2cnc(S(=O)(=O)Cl)c2)CC1	2113630860	XBYXJHAKEJLDJB-UHFFFAOYSA-N	306.819	0.448	70	10	DCIE	
CN(c1ncncc1[B-](F)(F)F)C1CC(S(C)(=O)=O)C1	2116145542	PIUJKPVHWKZZST-UHFFFAOYSA-N	308.114	0.543	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1Cc1ncon1	2125953348	IPSYQDDHEJWNFB-UHFFFAOYSA-N	306.731	0.778	70	10	DCIE	
Cc1cncc(S(=O)(=O)N2CCC(S(=O)(=O)F)CC2)c1	2144733763	TVQCYPVOMNEMBH-UHFFFAOYSA-N	322.383	0.842	70	10	DCIE	
C[C@@H]1CCO[C@H]1CC(=O)Nc1nn(C)cc1S(=O)(=O)F	2157309878	KJFSLDZKQOYWER-SFYZADRCSA-N	305.331	0.832	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCO[C@]3(CCOC3)C2)n1	2172765020	LPNXXSWAGZVGDU-GFCCVEGCSA-N	302.085	0.835	70	10	DCIE	
CCc1[nH]nc(C(=O)NC2[C@H]3COC[C@H]23)c1S(=O)(=O)Cl	2174646607	DGSIVMUTHAIDDY-WDSKDSINSA-N	319.770	0.274	70	10	DCIE	
COc1c(OCC(N)=O)cc([N+](=O)[O-])cc1S(=O)(=O)F	2191429088	VHVPBVQSYUCQJH-UHFFFAOYSA-N	308.243	0.126	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cc(F)cnc1Cl	2268805873	PBDHBCAXLOGMPY-UHFFFAOYSA-N	311.697	0.502	70	10	DCIE	
CC1CCN(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)CC1	7459637	KDQOBRWVKIASKI-GHMZBOCLSA-N	308.831	0.239	70	10	DCIE	
Cc1cc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)ncn1	159609598	YEEMJRGEXYLWIX-GFCCVEGCSA-N	316.336	0.998	70	10	DCIE	
CO[C@@]1(CNc2ccc(N)cc2S(N)(=O)=O)CCOC1	159983514	FVVHKFYPCKBBHC-GFCCVEGCSA-N	301.368	0.134	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1[C@@H](C)C(=O)NC(=O)NC	215846689	RJAXKCDECGQBON-LURJTMIESA-N	322.774	0.390	70	10	DCIE	
O=C(Cn1cncn1)NC[C@H]1CCCN(c2nccs2)C1	218152425	HJAGRMJNVRYRMP-LLVKDONJSA-N	306.395	0.767	70	10	DCIE	
COCCn1c(-c2cscn2)nnc1S(=O)(=O)Cl	227583503	GERKNFAELIWXDY-UHFFFAOYSA-N	308.772	0.976	70	10	DCIE	
O=S(=O)(Cl)Cc1ccccc1OC1CS(=O)(=O)C1	258567506	DIVMLMMHQXFGQF-UHFFFAOYSA-N	310.780	0.931	70	10	DCIE	
CO[C@@H](C)CCNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	311683409	JBNVJOPUQUNWRV-LURJTMIESA-N	309.775	0.800	70	10	DCIE	
COCC#CCn1nc([N+](=O)[O-])c(S(=O)(=O)Cl)c1C	696556516	UCTBBWYUNFSHRX-UHFFFAOYSA-N	307.715	0.677	70	10	DCIE	
C[C@@H](CCNCC#N)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1273026314	HMBREBAXCYLVCU-QMMMGPOBSA-N	302.331	0.294	70	10	DCIE	
O=C(Nc1ccn2nccc2n1)c1cc(S(=O)(=O)F)c[nH]1	1611168337	YUUGFRBKNLNCGA-UHFFFAOYSA-N	309.282	0.968	70	10	DCIE	
C#CC#CCNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	2117451059	VXYYFJACOZHHKJ-UHFFFAOYSA-N	301.320	0.260	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CCS(=O)(=O)[C@@H](C)C2)n1	2280632373	UOXPZBFJFRBCEC-QMMMGPOBSA-N	323.125	0.768	70	10	DCIE	
Cc1ccccc1OCC(=O)NC1CN(S(=O)(=O)F)C1	2284151824	SYJYJZQHUSISPK-UHFFFAOYSA-N	302.327	0.389	70	10	DCIE	
CO[C@@H](C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)C1CCCC1	2287064526	CVBZFEOSYKIHDX-WDEREUQCSA-N	308.375	0.596	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)NCc2ccc(CN)cc2)C[C@@H](C)O1	159585512	LSUUHLCAALUANE-VXGBXAGGSA-N	313.423	0.589	70	10	DCIE	
C[C@@H](N)[C@H]1CN(c2c(Cl)cnn(CC3CC3)c2=O)CCO1	159950282	PBJPQAJQQGKWAZ-BXKDBHETSA-N	312.801	0.859	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1	160957262	RSBYGUSAGOPJNN-NSHDSACASA-N	324.381	0.273	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1cc(N)cc(F)c1	161025324	DTKRZQSGEZDLCA-UHFFFAOYSA-N	318.370	0.570	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nnc2ccccc2n1	232320862	ZXZPITPYASXHJV-UHFFFAOYSA-N	321.767	0.367	70	10	DCIE	
COc1cc(C(=O)N=c2nc[nH]n2C)ccc1S(=O)(=O)F	1127073732	YJQAXBZNLMWGMN-UHFFFAOYSA-N	314.298	0.156	70	10	DCIE	
CC(=O)N[C@@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1725885500	CDUYZPCXJUSUIT-BQBZGAKWSA-N	305.331	0.316	70	10	DCIE	
C[C@@H](CC(F)(F)F)C(=O)N1CCN(S(=O)(=O)F)CC1	1974001479	USJKXWYSNUMLLZ-ZETCQYMHSA-N	306.281	0.933	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)[C@H]2CCC[C@@H]2F)C1	2118895062	MQUOTTPMILVCNZ-UTLUCORTSA-N	317.379	0.971	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CCC(=O)N1	2125953810	NICHWNPJYZKMRW-SSDOTTSWSA-N	307.759	0.236	70	10	DCIE	
CO[C@@H]1C[C@]2(C(=O)NC3CCN(S(=O)(=O)F)CC3)C[C@H]12	2169025065	HLMRASHIWZEQHE-CKYFFXLPSA-N	306.359	0.206	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2CC(C)(C)O2)c1S(=O)(=O)Cl	2189562973	LUWYEFPWDVLWPE-SSDOTTSWSA-N	321.786	0.943	70	10	DCIE	
Cn1c(=O)nc(O)c2c1ncn2-c1nc([B-](F)(F)F)cs1	2235921279	KUVHMMGWNWGDQT-UHFFFAOYSA-N	316.053	0.336	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CCCC(F)(F)C1	2268800041	XRDHODOMQJBARG-ZETCQYMHSA-N	300.302	0.827	70	10	DCIE	
N#Cc1cnn([C@H]2CCS(=O)(=O)C2)c1S(=O)(=O)Cl	112157217	GVFKIPSHVOGKQD-ZETCQYMHSA-N	309.756	0.042	70	10	DCIE	
COCCOCCCCNS(=O)(=O)C[C@@H]1CCCNC1	159474441	BIMUZEPXBJUQAE-CYBMUJFWSA-N	308.444	0.349	70	10	DCIE	
COC(=O)Cn1ncc(N2CC[C@H](C)[C@@H](N)C2)c(Cl)c1=O	159487414	JOXJWQGIEATMLX-IUCAKERBSA-N	314.773	0.243	70	10	DCIE	
COC(=O)c1ccc(S(=O)(=O)NCC(C)(C)OC)c(N)c1	159889689	ZYIHBGFQKBGYQI-UHFFFAOYSA-N	316.379	0.759	70	10	DCIE	
CC(C)CC(=O)NCCC(=O)N1CCS(=O)(=O)C(C)(C)C1	159979278	QKWPAPFIIBQNNA-UHFFFAOYSA-N	318.439	0.574	70	10	DCIE	
COCCCOC1CN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1	160321413	XXIZOOONVJKQEJ-UHFFFAOYSA-N	319.361	0.744	70	10	DCIE	
COC[C@H](O)CCNC(=O)c1cc(Cn2cc(C)cn2)on1	161116035	IOFNHTMRPNKBRH-LLVKDONJSA-N	308.338	0.355	70	10	DCIE	
Cc1c(F)cc(C(=O)NCCOC(C)C)cc1S(N)(=O)=O	161479410	PWRIFQUZJOBDKP-UHFFFAOYSA-N	318.370	0.936	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2COCC2(C)C)c1S(=O)(=O)Cl	313031490	YSOOOASNXOSVMN-SSDOTTSWSA-N	321.786	0.800	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2CC[C@@H](C)O2)c1S(=O)(=O)Cl	398167639	NCMQFQSVRVCEHQ-SVRRBLITSA-N	321.786	0.943	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCCO2)C1	2088473225	YNRGMUQROQUWEA-UWVGGRQHSA-N	315.388	0.259	70	10	DCIE	
C[C@]1(C(F)(F)F)C[C@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	2164437697	VIALQMCAZLFOCZ-CBAPKCEASA-N	318.292	0.837	70	10	DCIE	
CCN(c1nc(C)ncc1[B-](F)(F)F)[C@H]1CCS(=O)(=O)C1	2172768320	HHVAIIGWONOYFD-VIFPVBQESA-N	322.141	0.853	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCO[C@]3(CCCOC3)C2)nc1	2172784286	BQMMWGGYOBTFGY-GFCCVEGCSA-N	302.085	0.917	70	10	DCIE	
Cn1cnc2ccc(S(=O)(=O)CCS(=O)(=O)Cl)nc21	2226594617	WLJKHIYQWLLOFR-UHFFFAOYSA-N	323.783	0.311	70	10	DCIE	
CSc1ncccc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287081030	XZPTXIWHZNEFAJ-QMMMGPOBSA-N	319.383	0.822	70	10	DCIE	
COc1nn(C[C@H](C)C(=O)O)c(OC)c1S(=O)(=O)Cl	2339815405	IQLXAXPMVYSYTQ-YFKPBYRVSA-N	312.731	0.549	70	10	DCIE	
CCn1c(-c2cc(OC)n(C)n2)nnc1S(=O)(=O)Cl	302321971	QEIRSZOOVKRONK-UHFFFAOYSA-N	305.747	0.635	70	10	DCIE	
COCCOCC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	218072811	OLENDCPJVKSYON-JTQLQIEISA-N	316.379	0.174	70	10	DCIE	
O=C(c1cnn2c1CCC2)N1CCC[C@@H](S(=O)(=O)F)C1	2167660185	DIGIOYIWWIZUIT-SECBINFHSA-N	301.343	0.733	70	10	DCIE	
CCON(CC)C(=O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1629462268	ZPGOSNAYZYKXTO-UHFFFAOYSA-N	321.330	0.203	70	10	DCIE	
C[C@H](NCCCO)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1717426673	JKIYWOJRTJOUAA-IUCAKERBSA-N	321.374	0.152	70	10	DCIE	
CS(=O)(=O)C[C@H](Cc1cncc(Br)c1)NN	161168223	BBRGCPHVHGQXOG-VIFPVBQESA-N	308.201	0.263	70	10	DCIE	
C[C@@H]1CN(c2ccccc2S(C)(=O)=O)CCS1(=O)=O	160765330	FCKDFGNHHOXLCA-SNVBAGLBSA-N	303.405	0.713	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)[C@H]2CC23CCC3)n1	1923157616	YUBZFPJSOTXERC-QMMMGPOBSA-N	323.371	0.763	70	10	DCIE	
CN1CCC[C@@H](n2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)C1=O	2157370730	UDIDDADVMSZOEW-ZCFIWIBFSA-N	322.730	0.512	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1CC[C@H]1C(F)(F)F	2232576295	IXTKEQBKUHSHMM-JGVFFNPUSA-N	318.292	0.837	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1[C@H]2CCC(F)(F)[C@@H]12	2359647884	WEOGNECQVREGHB-UYXSQOIJSA-N	312.313	0.683	70	10	DCIE	
C[C@@H]1COC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	699814806	UALIHBYSNLWNAS-VXNVDRBHSA-N	306.771	0.717	70	10	DCIE	
CC(=O)NC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1744181403	HZGDSSXOKFXUDM-NSHDSACASA-N	317.342	0.317	70	10	DCIE	
CN(CCC#N)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	166128915	XVYHIKICOUKJJZ-UHFFFAOYSA-N	306.340	0.879	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1ccc(F)cc1C(N)=S	159793015	MVGGCFMNNLAKGL-LBPRGKRZSA-N	311.382	0.801	70	10	DCIE	
Cc1[nH]nc(C(=O)N2CCOCC23CC3)c1S(=O)(=O)Cl	1915585587	FVEVCZKTXCGXHJ-UHFFFAOYSA-N	319.770	0.651	70	10	DCIE	
O=C1C[C@H](COc2ccc(C(=O)O)cc2S(=O)(=O)Cl)N1	2149190929	YAICYAPFVIEXGC-SSDOTTSWSA-N	319.722	0.580	70	10	DCIE	
CC1(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)CCOCC1	2143826076	OANKZFNPVVUCLI-UHFFFAOYSA-N	322.770	0.693	70	10	DCIE	
COC[C@@H](N)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1	159441996	UHOUIDGSFGLDPX-BXKDBHETSA-N	300.380	0.241	70	10	DCIE	
CO[C@@H]1COC[C@@H]1CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2154133291	PNEGFANGTMZGFA-OIBJUYFYSA-N	322.770	0.333	70	10	DCIE	
O=C([C@H]1CC[C@H]2C[C@H]1CO2)N1CCN(S(=O)(=O)F)CC1	2163654853	JNKITDPKYRCGHZ-DCAQKATOSA-N	306.359	0.160	70	10	DCIE	
CO[C@H]1CS(=O)(=O)C[C@H]1N(C)c1ncccc1[B-](F)(F)F	2172780008	KNYKWOBJDQYRRU-ZJUUUORDSA-N	323.125	0.384	70	10	DCIE	
Cc1nc(N2C[C@@H]3OCCN(C)[C@H]3C2)ncc1[B-](F)(F)F	2172757627	DQORJAPHXYGXLW-QWRGUYRKSA-N	301.101	0.359	70	10	DCIE	
CO[C@H]1C[C@H]1NC(=O)c1n[nH]c(C(C)C)c1S(=O)(=O)Cl	2188223465	LWGMDBNFKBBNSB-RQJHMYQMSA-N	321.786	0.978	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1COC2CC1C2	2183067596	MCOWOWOGFHUJRX-KTOWXAHTSA-N	318.782	0.860	70	10	DCIE	
O=S(=O)(Cl)CC1(COCCn2cncn2)CCOCC1	2184417767	BWNLNFANQMRPQW-UHFFFAOYSA-N	323.802	0.660	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cnnc(Cl)c1	2273878685	OYROZYQCMXVFDO-ZETCQYMHSA-N	308.722	0.148	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C1	2338748886	DKPBDQSLXFEPLH-UWVGGRQHSA-N	315.388	0.259	70	10	DCIE	
CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)Cl)CCO1	1953573723	NPLGGXVBJYCBGE-MRVPVSSYSA-N	314.791	0.696	70	10	DCIE	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CS(=O)(=O)F	757181285	ZTKIGJKADXCBIC-SECBINFHSA-N	310.372	0.659	70	10	DCIE	
C[C@H](CC(=O)NCC1CN(S(=O)(=O)F)C1)P(C)(C)=O	1886564485	HYBYZSWTZSIRDU-MRVPVSSYSA-N	314.319	0.650	70	10	DCIE	
C[C@H](O)CN(C)[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1485352965	PIKHDVULQBMPOV-IUCAKERBSA-N	321.374	0.104	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CC[C@@H](S(C)(=O)=O)C2)n1	2123305191	GVSSNCDCWYRBNN-MRVPVSSYSA-N	308.114	0.463	70	10	DCIE	
CC1(C)CN(C(=O)CN2CCCCC2=O)CCS1(=O)=O	160121149	DROHROCOOBNCOT-UHFFFAOYSA-N	302.396	0.035	70	10	DCIE	
CCc1c(-c2nnc(S(=O)(=O)Cl)n2C)nnn1CC	1923536444	ULZPRBWMLGHCJV-UHFFFAOYSA-N	304.763	0.583	70	10	DCIE	
O=C(C1CC2(C1)CC2(F)F)N1CCN(S(=O)(=O)F)CC1	1974014308	HGWMWSSTYLQNJD-UHFFFAOYSA-N	312.313	0.780	70	10	DCIE	
NCC[C@H]1CCCCN1c1cnn(CCO)c(=O)c1Cl	159500335	CZDZGIIEXJSJBP-SNVBAGLBSA-N	300.790	0.597	70	10	DCIE	
CC(C)OCCNS(=O)(=O)CCOc1cccc(N)c1	159880148	NSCIZVLGAROALM-UHFFFAOYSA-N	302.396	0.992	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@]23COC[C@@H]2C3)c1S(=O)(=O)Cl	718099675	PBWLCSMBARKOOV-UPONEAKYSA-N	319.770	0.418	70	10	DCIE	
CCCc1[nH]nc(C(=O)NC2(C)COC2)c1S(=O)(=O)Cl	2189273635	YQACZEYMYUKDGY-UHFFFAOYSA-N	321.786	0.808	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2191168721	XNZXHKKKZRKABH-HPFNVAMJSA-N	316.766	0.778	70	10	DCIE	
COC(=O)CS(=O)(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2073781538	NBJPVIDJGWRLEY-APPZFPTMSA-N	300.087	0.803	70	10	DCIE	
CCOCCCS(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2088901226	YBQSKKOYRUHIGI-UHFFFAOYSA-N	317.404	0.507	70	10	DCIE	
Cc1ncnc(N(C)[C@@H]2CCS(=O)(=O)C2)c1[B-](F)(F)F	2116128206	DLFLQZDBUWISKF-MRVPVSSYSA-N	308.114	0.463	70	10	DCIE	
Cc1nc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c(C)s1	2271485578	PAPSGSNSZRZFEF-MRVPVSSYSA-N	307.372	0.778	70	10	DCIE	
CC1(C)[C@H]2CO[C@]1(C(=O)N1CC(CCS(=O)(=O)F)C1)C2	2359849781	KNVUVHWZEDHIEE-MFKMUULPSA-N	305.371	0.949	70	10	DCIE	
Cc1noc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)n1	215915342	GOAYPUMZNFGDDM-UHFFFAOYSA-N	307.675	0.459	70	10	DCIE	
C=CCCNC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1268661693	FTMCVPFFCHUALA-SECBINFHSA-N	303.359	0.957	70	10	DCIE	
C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N(C)CCCO	1282462575	XAHMKMKPHIENLM-VIFPVBQESA-N	321.374	0.105	70	10	DCIE	
O=C(N[C@@H]1CO[C@H]2C[C@@H]1C2)c1cc(S(=O)(=O)Cl)c[nH]1	2126705616	NBBPZWYHQCMWTF-MATHAZKKSA-N	304.755	0.849	70	10	DCIE	
Cn1cc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(N)n1	160339413	PHSQECASJORUPF-ZWNOBZJWSA-N	314.411	0.318	70	10	DCIE	
CN(C[C@@H](O)COc1ccc(C(N)=S)cc1)[C@@H]1CCOC1	159500922	IAXNURJZXVBCGT-CHWSQXEVSA-N	310.419	0.781	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)N2CCCCCC2)C1	2134976968	NCCKSCSGAUTHSF-UHFFFAOYSA-N	314.404	0.338	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1Cc1nccn1C	380053995	SAICKTQRDDPFGA-UHFFFAOYSA-N	319.730	0.809	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CC12CCOCC2	2287075480	DDSPQIXOWHJRPW-NXEZZACHSA-N	306.359	0.208	70	10	DCIE	
Cc1ccc(S(=O)(=O)NCCS(=O)(=O)Cl)s1	124147923	TWKYAPXBSZWGHP-UHFFFAOYSA-N	303.814	0.903	70	10	DCIE	
O=C(NC[C@H]1COc2ccccc2O1)Nc1ccc(=O)[nH]n1	217304043	BNZXHPKYAXAMBB-VIFPVBQESA-N	302.290	0.731	70	10	DCIE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H]1C(=O)N1CC(S(=O)(=O)F)C1	1897482773	YPKSIRREOWYANA-IUCAKERBSA-N	322.358	0.410	70	10	DCIE	
N#CCCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1C1CC1	704289905	OIDFOYGDYVBFMS-UHFFFAOYSA-N	316.770	0.718	70	10	DCIE	
Cn1ccnc(NC(=O)c2cccc(S(=O)(=O)F)c2)c1=O	1360942200	JJNRWHBSVHLZRD-UHFFFAOYSA-N	311.294	0.691	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N(C)C2CS(=O)(=O)C2)n1	2116127283	KOORFIUKDRRECW-UHFFFAOYSA-N	308.114	0.381	70	10	DCIE	
Cc1nc(N2CCS(=O)(=O)[C@H](C)C2)ncc1[B-](F)(F)F	2116132010	HYPKZJPNUGZWLN-SSDOTTSWSA-N	308.114	0.463	70	10	DCIE	
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)N[C@@H]1CCc2ncnn2C1	161062506	STOVVAHEKXLTHC-JHJVBQTASA-N	304.398	0.471	70	10	DCIE	
COC(=O)C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)c1ccccc1	160065234	NOGWFGNXHUGACO-OLZOCXBDSA-N	304.346	0.933	70	10	DCIE	
O=C(CN1CC(=O)NC1=O)NCCc1cc2ccccc2[nH]1	159657537	GVGWRELHAYFWEJ-UHFFFAOYSA-N	300.318	0.378	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)[C@@H](C(N)=S)C(C)C	159779214	OOOSZPBNJXAFKX-WDEREUQCSA-N	315.439	0.298	70	10	DCIE	
Cc1nccn1CCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215917342	WEZWYPIUZJTRMF-UHFFFAOYSA-N	319.730	0.924	70	10	DCIE	
NCCn1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1	217673451	MEUSRRYTFAHILA-UHFFFAOYSA-N	302.306	0.921	70	10	DCIE	
NCC[C@H]1CCCN(c2cnn(CCO)c(=O)c2Cl)C1	159515574	NJZWOQWCEVRJGN-SNVBAGLBSA-N	300.790	0.454	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@]2(C)CCO[C@H]2C)c1S(=O)(=O)Cl	300589842	JNXVCXRMYSHBHV-CPCISQLKSA-N	321.786	0.943	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)n1	2172767501	VHAWSTDOAIBPCI-WPRPVWTQSA-N	320.125	0.463	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CC(N3CC(F)C3)C2)n1	2172773058	WBDIFQINDXMSQQ-UHFFFAOYSA-N	303.092	0.990	70	10	DCIE	
Cc1nc(-n2cc(S(C)(=O)=O)cn2)ncc1[B-](F)(F)F	2273537233	BDONMKUTUFEGCN-UHFFFAOYSA-N	305.070	0.429	70	10	DCIE	
O=C(CN1CCOC[C@H]1C[C@@H](O)c1ccco1)N1CCOCC1	159387181	JDOAPNLAYLCCJE-ZIAGYGMSSA-N	324.377	0.263	70	10	DCIE	
O=C1CN(CC(=O)N2CC=C(c3ccccc3F)CC2)C(=O)N1	159584960	KRLQYJGKRZVUOY-UHFFFAOYSA-N	317.320	0.993	70	10	DCIE	
COc1cc(N)ccc1S(=O)(=O)NC[C@]1(OC)CCOC1	159895237	YGGPQFMSWVWMDQ-CYBMUJFWSA-N	316.379	0.361	70	10	DCIE	
CN1C[C@@H](NS(=O)(=O)c2ccc(F)cc2F)CCC1=O	160098988	XLHZNONEAKOBKZ-VIFPVBQESA-N	304.318	0.864	70	10	DCIE	
C[C@H](Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl)C(N)=O	215668696	ZSOFVNKIGAREQI-YFKPBYRVSA-N	308.699	0.775	70	10	DCIE	
CNC[C@@H]1CCCN(S(=O)(=O)N(CCOC)C(C)C)C1	217441755	AMIAPEAXVQCQQF-ZDUSSCGKSA-N	307.460	0.519	70	10	DCIE	
CSC[C@@](C)(O)CNC1=NS(=O)(=O)c2ccccc21	217906875	PYXSYDLJEZWFFS-LBPRGKRZSA-N	300.405	0.839	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@H]2COC[C@@H]2C)c1S(=O)(=O)Cl	703437031	BLROUQSVEKQXML-FSPLSTOPSA-N	308.743	0.837	70	10	DCIE	
COc1cc(C(=O)N2CC=C(N)N2)ccc1S(=O)(=O)F	1133930749	NBHAMKVYAUFBOH-UHFFFAOYSA-N	301.299	0.114	70	10	DCIE	
Cn1ccc(=O)c(C(=O)Nc2ncc(S(=O)(=O)F)s2)c1	1287483242	RYVBHJOXPNQOHB-UHFFFAOYSA-N	317.323	0.752	70	10	DCIE	
NS(=O)(=O)c1cc(CCS(=O)(=O)F)ccc1Cl	1951692603	DUERCQGOMZEPLP-UHFFFAOYSA-N	301.748	0.829	70	10	DCIE	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)F)CCO1	1954657623	ZEAGPIZGFQJHIZ-DTWKUNHWSA-N	312.363	0.815	70	10	DCIE	
O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC(S(=O)(=O)F)C1	1968215619	JPSZTWZRCOJLPB-UHFFFAOYSA-N	306.246	0.858	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ncsc1C1CC1	1974055677	UQPAAVBONMPIHP-UHFFFAOYSA-N	319.383	0.896	70	10	DCIE	
CS(=O)(=O)CCc1nnc(S(=O)(=O)Cl)n1C1CC1	2057675328	PBKOFEJCKNXQDQ-UHFFFAOYSA-N	313.788	0.128	70	10	DCIE	
O=S(=O)(Cl)CCOCCO[C@H]1C[C@@H](n2cncn2)C1	2127414343	BIJFUMADDPAVTN-AOOOYVTPSA-N	309.775	0.583	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)c2cc(F)cc(F)c2)C1	2134974222	BZOCOSRKIITOND-UHFFFAOYSA-N	315.294	0.637	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1C[C@@H]1C(F)(F)F	2169024230	DLSGTQZAHIULQF-YUMQZZPRSA-N	318.292	0.980	70	10	DCIE	
CO[C@@H]1COC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)c(C)o1	2177286585	ZSVCGHSFKWVVLV-IONNQARKSA-N	323.754	0.659	70	10	DCIE	
Cc1cc(O[C@H]2CCN(S(C)(=O)=O)C2)ncc1[B-](F)(F)F	2285601565	YPBZAZFYSYXLKB-VIFPVBQESA-N	323.125	0.857	70	10	DCIE	
O=C(N[C@@H]1COC2(COC2)C1)c1cc(S(=O)(=O)Cl)c[nH]1	2286280388	PPFVVIPKHRYLRO-ZETCQYMHSA-N	320.754	0.230	70	10	DCIE	
COC(=O)CNC(=O)N[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1	217285094	JFZYTWHSHPHQAP-WCQYABFASA-N	319.361	0.821	70	10	DCIE	
CNC(=O)c1cccc(CCC(=O)NC[C@]2(O)CCSC2)c1	160221979	CTBWNRQZVRBMSC-MRXNPFEDSA-N	322.430	0.963	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1[C@@H](CC(N)=S)c1ccccc1	159818404	KRLUBCXHZMZFLH-STQMWFEESA-N	307.419	0.851	70	10	DCIE	
O=C1CN(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)CCN1	159527520	HTDPVYZRXFZMFQ-SNVBAGLBSA-N	323.784	0.455	70	10	DCIE	
Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)cc1F	2134974329	DFQFEPILGPQPJX-UHFFFAOYSA-N	311.331	0.806	70	10	DCIE	
Nc1cc(F)ccc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974000683	DXMIBQLSUIJMFY-UHFFFAOYSA-N	305.306	0.380	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1[C@H]2COCC[C@H]21	1974394484	JQBKAYQDBGDGDN-OUAUKWLOSA-N	306.359	0.064	70	10	DCIE	
O=C(CC[C@@H]1CCCO1)NC1CCN(S(=O)(=O)F)CC1	1974402115	JVOSJZMAWGEQKP-NSHDSACASA-N	308.375	0.741	70	10	DCIE	
CCOC(=O)CS(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	160603387	KCAROONAXBMCSW-YPMHNXCESA-N	305.396	0.506	70	10	DCIE	
O=C(N[C@]12CO[C@](CF)(C1)C2)c1cc(S(=O)(=O)Cl)c[nH]1	2202615474	UXBBUGJBHSZQHD-XYPYZODXSA-N	322.745	0.943	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccc([N+](=O)[O-])s1	2287076730	TURUQICWTZVYMX-ZCFIWIBFSA-N	323.327	0.675	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C1C[C@H]2[C@H](C1)C2(F)F	2287068469	IEZDKVQBPOEVCW-VGMNWLOBSA-N	312.313	0.683	70	10	DCIE	
CN(C(=O)c1cc(S(=O)(=O)F)ccc1Cl)c1nn[nH]n1	1279188286	RUFPZWUQQPZWFC-UHFFFAOYSA-N	319.705	0.788	70	10	DCIE	
CO[C@@H]1CN(c2ncncc2[B-](F)(F)F)[C@H](CF)[C@H]1OC	2366549812	JPIBUIMJIOQDJG-OPRDCNLKSA-N	308.064	0.719	70	10	DCIE	
CCS(=O)(=O)NC1CN(c2ncccc2[B-](F)(F)F)C1	2116144968	IUTNNKMZAFPRCF-UHFFFAOYSA-N	308.114	0.264	70	10	DCIE	
COCCNC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1569081750	ZDGHPEYGIXERGC-QMMMGPOBSA-N	307.347	0.027	70	10	DCIE	
O=C(N[C@@H](CO)C(F)(F)F)c1cc(S(=O)(=O)F)c[nH]1	1648317398	VIMFLUWENKVKFI-LURJTMIESA-N	304.221	0.326	70	10	DCIE	
CCc1nn2c(=O)cc(CN(C)[C@H](CN)C3CC3)nc2s1	160038126	GWCCTSMNSUELQQ-LLVKDONJSA-N	307.423	0.883	70	10	DCIE	
Nc1cccc(F)c1C(=O)NCC1CN(S(=O)(=O)F)C1	1974058075	COOHQQKSPBACNX-UHFFFAOYSA-N	305.306	0.284	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2C[C@H]3[C@@H](C2)OCCN3C)n1	2172770866	RAGRMUZPZOIAGE-NWDGAFQWSA-N	300.113	0.964	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N(C)CCN(C)S(C)(=O)=O)n1	2172757816	HCZSJAWVSHKRRP-UHFFFAOYSA-N	324.157	0.772	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CN(C)C(=O)O1	690555890	DUVMYZZUSBDLHP-SSDOTTSWSA-N	307.759	0.824	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1Cc1nnnn1C	698617461	GXMDNOQFISSNMD-UHFFFAOYSA-N	304.763	0.335	70	10	DCIE	
O[C@H](CN1CCOCC1)CN1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2194168849	AGESCTLQVBXECK-JHJVBQTASA-N	307.145	0.993	70	10	DCIE	
O=S(=O)(F)N1CCN(S(=O)(=O)C2CCCC2)CC1	2045266501	ZHIWUSQHAIGDQG-UHFFFAOYSA-N	300.377	0.091	70	10	DCIE	
O=C(c1nnc(Cl)s1)N1CC(CCS(=O)(=O)F)C1	2079008190	FVCJKWSQSYDCPT-UHFFFAOYSA-N	313.763	0.953	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cnnc(Cl)c1	2273887151	KIPZZIYNZHPEIS-UHFFFAOYSA-N	308.722	0.006	70	10	DCIE	
Cn1c([C@@]23CC[C@@](CF)(C2)OC3)nnc1S(=O)(=O)Cl	2274680788	MFKQJRFIOIHMLJ-UWVGGRQHSA-N	309.750	0.903	70	10	DCIE	
CC[C@@H](N[C@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)OC	159494884	WUBUOYYGCFILJD-BXKDBHETSA-N	300.380	0.936	70	10	DCIE	
COC(=O)Cn1ncc(NC[C@H](N)C(C)C)c(Cl)c1=O	159543802	XWWKJRSXMGELMP-QMMMGPOBSA-N	302.762	0.465	70	10	DCIE	
NC(=S)c1ncccc1N1CCOC[C@H]1C(=O)NC1CC1	159808765	KRVXUWGDSWBPNX-NSHDSACASA-N	306.391	0.200	70	10	DCIE	
CCS(=O)(=O)[C@H]1CSCCN1Cc1nc(C)cc(N)n1	159847302	CJLSRRZRONSSLT-LBPRGKRZSA-N	316.452	0.677	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2sc(N)nc2C)CCOC1	160677197	OHHDUIYFFXNDBQ-SNVBAGLBSA-N	307.397	0.118	70	10	DCIE	
CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2nocc2C)C1	160918200	IERIYFPHMYWMPS-JTQLQIEISA-N	308.338	0.439	70	10	DCIE	
CC1(C)CC[C@@H](CC(CO)(CO)[C@@H]2CCS(=O)(=O)C2)O1	161364326	JHSBINSHWUWOPC-NEPJUHHUSA-N	306.424	0.740	70	10	DCIE	
C[C@@H](Oc1cccc(CO)c1)C(=O)NC[C@@H](C)N1CCOCC1	161483143	VONWGQQNGIWFBK-ZIAGYGMSSA-N	322.405	0.783	70	10	DCIE	
CC[C@@H](C)N(C)CCNC(=O)C1(C(N)=S)CCOCC1	218181507	AZQBXEILQJYDSG-LLVKDONJSA-N	301.456	0.916	70	10	DCIE	
CCCO[C@@H]1CS(=O)(=O)C[C@H]1C1(S(=O)(=O)Cl)CC1	696653579	FUKQDXLEFRJJOV-RKDXNWHRSA-N	316.828	0.927	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCO[C@H](CCF)C1	1347765679	XQWQKHFETOIKAG-MRVPVSSYSA-N	308.306	0.874	70	10	DCIE	
O=C1OC[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)F)cc3)C[C@H]12	1534322697	PQRWTFWNOCWWHT-ONGXEEELSA-N	313.306	0.590	70	10	DCIE	
COc1sccc1S(=O)(=O)N1CC(S(=O)(=O)F)C1	2078988350	HGIBBFNUDJOEQT-UHFFFAOYSA-N	315.369	0.429	70	10	DCIE	
Cc1nc(N2CCS(=O)(=O)C[C@@H]2C)ncc1[B-](F)(F)F	2116131424	XQNZFQBSYSAZCE-ZETCQYMHSA-N	308.114	0.463	70	10	DCIE	
COc1nc(N2CC(N3CCCC3)C2)ncc1[B-](F)(F)F	2172765736	VTIGUDIIVBRVBP-UHFFFAOYSA-N	301.101	0.824	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)Cc2cnnn2C)n1	2280636322	FSTGGUJRIKGQLA-UHFFFAOYSA-N	300.073	0.910	70	10	DCIE	
CCOc1nc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)co1	2287070894	VXNOOCKNGBDPBY-ZETCQYMHSA-N	307.303	0.092	70	10	DCIE	
COc1cc(F)c2c(c1)[C@H](CN)N([C@H]1CCS(=O)(=O)C1)C2	216825781	AFLXHHWDNYXNLF-XPTSAGLGSA-N	314.382	0.837	70	10	DCIE	
C[C@H](COc1ccc(C(=O)O)cc1S(=O)(=O)Cl)C(N)=O	215653523	OLQZASJLJAOGNI-ZCFIWIBFSA-N	321.738	0.813	70	10	DCIE	
O=C(O[C@@H]1CCCNC1=O)c1ccc(S(=O)(=O)F)cc1	838092214	FWKJXCCQIQOVFA-SNVBAGLBSA-N	301.295	0.780	70	10	DCIE	
CC(C)(C)OC(=O)NCCC(=O)N1CC[C@H](S(=O)(=O)F)C1	1885609959	GOYCPPRVYSDMHS-VIFPVBQESA-N	324.374	0.801	70	10	DCIE	
O=C1CNC(=O)N1CCOc1ccc(S(=O)(=O)Cl)cc1	695422238	REGKTMKXSBTQRL-UHFFFAOYSA-N	318.738	0.545	70	10	DCIE	
CCCS(=O)(=O)CCN(C)c1ncncc1[B-](F)(F)F	2116147973	JMOQZFUISIGFAS-UHFFFAOYSA-N	310.130	0.792	70	10	DCIE	
O=[N+]([O-])c1ccc(N2CCOCCN2)c(CS(=O)(=O)F)c1	1651843413	ZGGMVQMZPQYYNP-UHFFFAOYSA-N	319.314	0.735	70	10	DCIE	
O=C(NC1CC2(COC2)C1)c1cc(S(=O)(=O)Cl)c[nH]1	2125786952	KLJAVVMANVIAQJ-UHFFFAOYSA-N	304.755	0.851	70	10	DCIE	
CC1(OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)CNC1	161120800	SHBBMHIZAOAUJV-STQMWFEESA-N	314.451	0.878	70	10	DCIE	
CCS(=O)(=O)NCC(=O)NCCN(C)C1CCCCC1	160655990	UAQLXNHSZIUWTL-UHFFFAOYSA-N	305.444	0.306	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1c1cc(OC)ccc1C(N)=S	159801667	NMNYENLQBKHRQN-LBPRGKRZSA-N	309.391	0.281	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Cl)nn1	159519411	NXSVWYYCUVWDOX-JTQLQIEISA-N	312.757	0.496	70	10	DCIE	
Cc1ccc(C=CC(=O)N2CCN(S(=O)(=O)F)CC2)o1	1974015128	PYHVUGXVKTWVKK-UHFFFAOYSA-N	302.327	0.960	70	10	DCIE	
CCCn1ncc(N2CCO[C@H]([C@@H](C)N)C2)c(Cl)c1=O	159953177	LROJAFCOGHAHLJ-KOLCDFICSA-N	300.790	0.859	70	10	DCIE	
Cc1ncc(OC[C@@H]2CCS(=O)(=O)N2C)cc1[B-](F)(F)F	2148877256	IZGUMWPDLGTTOH-VIFPVBQESA-N	323.125	0.857	70	10	DCIE	
C[C@@H]1CCO[C@H]1CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2157351290	XXIAYJCCNDFGAG-SFYZADRCSA-N	322.770	0.692	70	10	DCIE	
CC(C)n1c([C@@H]2CO[C@H]3COC[C@@H]32)nnc1S(=O)(=O)Cl	2158054262	BMTAKXNSOPODLD-HLTSFMKQSA-N	321.786	0.915	70	10	DCIE	
Cn1cc(Cn2cc(S(=O)(=O)Cl)nc2C2CC2)nn1	704279376	JTANYCFGJHIOBB-UHFFFAOYSA-N	301.759	0.865	70	10	DCIE	
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CC[C@H](S(=O)(=O)F)C1	2200091270	OKHUOKFXUVIMLA-SDDRHHMPSA-N	305.371	0.949	70	10	DCIE	
CC1(C)C[C@H](CC(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CO1	2287079876	OKAQOSIPCWBGIM-UWVGGRQHSA-N	308.375	0.596	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cc(O)ccc1F	2287074195	CCRQEENOXMLUTA-ZETCQYMHSA-N	306.290	0.550	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@@]12CCCOC2	2287071682	JIGZBFXYFDBCMX-CKYFFXLPSA-N	306.359	0.208	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1CC2(CCC2)CO1	2287071324	IIEVQGKELWBKPK-VHSXEESVSA-N	306.359	0.350	70	10	DCIE	
O=C(O)CCCCCn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	112727654	JOOXEFBAKNFDOX-UHFFFAOYSA-N	324.742	0.109	70	10	DCIE	
COC(=O)[C@@H]1CO[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N12	218352709	GEXJVXPWQKGKOR-KXUCPTDWSA-N	314.338	0.400	70	10	DCIE	
O=C(Cc1ccccc1F)NC[C@@H](O)Cn1ccccc1=O	218433880	OMPVKBXBKXPONV-CYBMUJFWSA-N	304.321	0.707	70	10	DCIE	
C[C@]12C[C@H](C1)[C@@H](C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)CO2	2362913010	PRXKGDQUHFAIST-QFOLPQNPSA-N	306.359	0.206	70	10	DCIE	
COC1CN(S(=O)(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)C1	1879791013	APPCLVPMYKMYDR-WPRPVWTQSA-N	313.130	0.875	70	10	DCIE	
CN(Cc1nnn(C)n1)c1ncc(Cl)cc1[B-](F)(F)F	1892996892	GDIMCZVOUSKHKJ-UHFFFAOYSA-N	305.480	0.949	70	10	DCIE	
C[C@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)[S@](C)=O	1346928690	CPOWUFVIASYXIB-MDTSDYNXSA-N	310.372	0.560	70	10	DCIE	
CCCN(CCNC(C)=O)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1284694724	PMAZMOTWMZONBO-UHFFFAOYSA-N	319.358	0.661	70	10	DCIE	
CC#CCN[C@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1674730169	ZRRQKVGCPPRJLU-ZJUUUORDSA-N	315.370	0.793	70	10	DCIE	
CC(C)COCCC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O	160234909	ZEHIQTVWLMRUQX-STQMWFEESA-N	320.455	0.883	70	10	DCIE	
CC(C)[C@@H](C(=O)N1CCOC[C@H]1C(=O)NC1CC1)C(N)=S	159782578	QCWCYFUZHZFVLE-WDEREUQCSA-N	313.423	0.051	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)c2ccc(F)c(F)c2)C1	2134976225	WWJRVXMQOAVAHZ-UHFFFAOYSA-N	315.294	0.637	70	10	DCIE	
CCc1noc(C)c1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001397	SKHUIAGTDFPBKT-UHFFFAOYSA-N	305.331	0.518	70	10	DCIE	
CS(=O)(=O)C1([C@@H]2CC(=O)N2S(=O)(=O)Cl)CCC1	2001812235	VTDPHGXNOVBUSW-LURJTMIESA-N	301.773	0.038	70	10	DCIE	
CC(C)CNS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2028130502	PZJDTDRJCYGAMU-VIFPVBQESA-N	302.393	0.241	70	10	DCIE	
CC(C)S(=O)(=O)NC1CN(c2ccc([B-](F)(F)F)cn2)C1	2172772024	IKGKYKWOGWDNBC-UHFFFAOYSA-N	322.141	0.652	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CCOCCC1CC1	2184224971	RPTIXTZLOLKYQI-UHFFFAOYSA-N	322.770	0.693	70	10	DCIE	
CCCc1[nH]nc(C(=O)N[C@H]2C[C@@H]2OC)c1S(=O)(=O)Cl	2188223531	MAGXXURQYMPKQT-YUMQZZPRSA-N	321.786	0.807	70	10	DCIE	
COCCn1c([C@@H]2[C@@H]3CCO[C@H]32)nnc1S(=O)(=O)Cl	2119955474	UUKRCAAGRDZNQL-XLPZGREQSA-N	307.759	0.354	70	10	DCIE	
Cc1ccc(F)c(S(=O)(=O)CCS(=O)(=O)Cl)n1	2216164965	VZQNEEPOZSQOCX-UHFFFAOYSA-N	301.748	0.871	70	10	DCIE	
COCCn1c([C@@H]2CCOC[C@@H]2C)nnc1S(=O)(=O)Cl	305962679	KDYIMOOBEMYQQT-DTWKUNHWSA-N	323.802	0.992	70	10	DCIE	
CC(C)C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218621391	FMLMMLUEFJPQAI-UHFFFAOYSA-N	301.354	0.362	70	10	DCIE	
COCC1(NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)CC1	697503714	QKQXHRFDOPAIAD-UHFFFAOYSA-N	307.759	0.554	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC1C[C@H]2C[C@@H]2C1	698102180	FEXBNKGJQCOLJM-YUMQZZPRSA-N	304.755	0.923	70	10	DCIE	
C#CCOCCn1cc(S(=O)(=O)Cl)nc1COCC	2125952754	AHDLLNZFESJFJD-UHFFFAOYSA-N	306.771	0.997	70	10	DCIE	
C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCO[C@H](CN(C)C)C1	160448456	CHQJPDUFRHHQGL-CZUORRHYSA-N	322.405	0.735	70	10	DCIE	
Cc1cncc(/C=C/C(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1	160497181	MXEAWPVSLQKVEM-VBROQKIQSA-N	323.418	0.943	70	10	DCIE	
C[C@H]1OCC[C@H]1N(C)C(=O)c1ccc(S(N)(=O)=O)cc1F	160508935	KLGDKEAAKNRJGH-PRHODGIISA-N	316.354	0.723	70	10	DCIE	
CO[C@H](C(=O)N1CC[C@H](S(=O)(=O)F)C1)[C@@H]1CCCOC1	2150281268	LMHUAZLJQXWOSK-VWYCJHECSA-N	309.359	0.328	70	10	DCIE	
Cc1ccccc1CC(=O)NCC1CN(S(=O)(=O)F)C1	1974059725	OCRPSUMNDOXLML-UHFFFAOYSA-N	300.355	0.800	70	10	DCIE	
CCOC(=O)CCNc1ccc(S(=O)(=O)NC)c(N)c1	159610964	YBINIVIOHJYAAR-UHFFFAOYSA-N	301.368	0.542	70	10	DCIE	
COc1ccc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)cc1O	2144732796	JNYCDXINJLQRMY-SECBINFHSA-N	303.311	0.915	70	10	DCIE	
CNS(=O)(=O)c1ccc(CNC[C@@H](C)N2CCCC2)o1	160791819	VMSSSXNZDTZPAT-LLVKDONJSA-N	301.412	0.762	70	10	DCIE	
COCCn1c([C@@H]2C[C@H]3CC[C@H]2O3)nnc1S(=O)(=O)Cl	387094736	BIDASVXCQOEMBD-IWSPIJDZSA-N	321.786	0.887	70	10	DCIE	
Cc1ccnc(N(C)CCN(C)S(C)(=O)=O)c1[B-](F)(F)F	2172773452	BGZGDLJXGWIUMU-UHFFFAOYSA-N	324.157	0.772	70	10	DCIE	
Cc1cnc(N2CC(N3CCOCC3)C2)c([B-](F)(F)F)c1	2172787085	ACHSJVLZELAXCP-UHFFFAOYSA-N	300.113	0.965	70	10	DCIE	
O=S(=O)(Cl)c1nnc(CN2CCOCC2)n1C1CC1	2092370650	KKLBWRLXDNYRFQ-UHFFFAOYSA-N	306.775	0.373	70	10	DCIE	
Cn1ncc(Cl)c1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271503144	OPXKGEBRAOJJOY-LURJTMIESA-N	310.738	0.092	70	10	DCIE	
Cc1ccc(F)c(C(=O)NCC2CN(S(=O)(=O)F)C2)n1	2279725284	GDKMAQCBVSRRJZ-UHFFFAOYSA-N	305.306	0.405	70	10	DCIE	
O=C(COc1ccccc1Cl)NC1CN(S(=O)(=O)F)C1	2284152521	YMZDKXARGFNCOM-UHFFFAOYSA-N	322.745	0.734	70	10	DCIE	
Cc1cc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)nc(C)n1	2287070941	WBQKBEVDESCPLE-VIFPVBQESA-N	302.331	0.112	70	10	DCIE	
CO[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	115799930	UEUOTYZSJKERCL-JGVFFNPUSA-N	321.786	0.943	70	10	DCIE	
C[C@@H](OC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1nnnn1C	1436101528	MFYLSIGZKYMEDT-RXMQYKEDSA-N	303.275	0.114	70	10	DCIE	
NC(=O)[C@@H](N)CN1C(=O)C(=O)c2cc(C(F)(F)F)ccc21	216910033	MVEVXSQVWBANEE-ZETCQYMHSA-N	301.224	0.047	70	10	DCIE	
CN(C)c1ccc(C(=O)NC2COC2)cc1S(=O)(=O)Cl	2165344332	OZTDDMSTVVAFOP-UHFFFAOYSA-N	318.782	0.809	70	10	DCIE	
C[C-]1N[C]=C(I)C(=O)N1CC1=NN=C=N1	725527024	FZXSAMZXXAMXJB-UHFFFAOYSA-N	315.074	0.508	70	10	DCIE	
O=C1c2cc(F)ccc2S(=O)(=O)N1CCS(=O)(=O)F	883953585	BCXYTESKWQWKFW-UHFFFAOYSA-N	311.287	0.270	70	10	DCIE	
CCn1cnnc1[C@H]1CCCN(CCC(=O)NC(=O)NC)C1	161413962	QAONOBPJVBMVMX-NSHDSACASA-N	308.386	0.323	70	10	DCIE	
CC[C@H](NC)c1cccc(S(=O)(=O)NCCNC(N)=O)c1	160939137	KVAHHJGIIVETHB-LBPRGKRZSA-N	314.411	0.304	70	10	DCIE	
COC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1	160992575	UQBWDLJBVVWBFS-QWRGUYRKSA-N	307.354	0.188	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)Cc1csc(N)n1	159616100	OQLZLXWKPUBECQ-SNVBAGLBSA-N	312.395	0.021	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N2CCN(CCO)CC2)c1F	159464663	SLNOTMWSAFLRMB-UHFFFAOYSA-N	317.386	0.015	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NCCc2nncn2C)c1F	159520985	GRJHCAQRWCGUEQ-UHFFFAOYSA-N	313.358	0.366	70	10	DCIE	
COC[C@@H](C)S(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	159382612	DVMVVIKUESILAQ-GHMZBOCLSA-N	316.427	0.671	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1ccc(C(N)=S)c(C)c1	159795996	JMODNRNQFDAYRG-ZDUSSCGKSA-N	307.419	0.971	70	10	DCIE	
C[C@H](C(=O)N1CCC1)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	2145935996	CVIQZKVQTVSPMY-ZCFIWIBFSA-N	322.730	0.512	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12	1974055734	VLGJZKGDOAEGAD-LDMBFOFVSA-N	302.371	0.541	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCO[C@H]([C@@H]2CCOC2)C1	2172775570	DOXYZTABXKKWAS-KOLCDFICSA-N	302.085	0.773	70	10	DCIE	
COc1nc(N2C3COCC2COC3)ncc1[B-](F)(F)F	2172757782	GREGXWLFDUIHKO-UHFFFAOYSA-N	304.057	0.144	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)[C@H]2CCC[C@H]2F)C1	2055249572	IVZMIVQNCOCGSZ-HLTSFMKQSA-N	303.352	0.580	70	10	DCIE	
O=C(c1cnn2c1CCC2)N1CC(CCS(=O)(=O)F)C1	2199689088	OCZPBMLVQHTSEB-UHFFFAOYSA-N	301.343	0.591	70	10	DCIE	
O=S(=O)(CC1CCC1)NC1CCN(S(=O)(=O)F)CC1	2112723672	YENZEMMNEZEHNV-UHFFFAOYSA-N	314.404	0.385	70	10	DCIE	
O=C(NCCN1CC[C@@H]2C[C@@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2290287254	WQBAWDMHWYAHRG-KCJUWKMLSA-N	317.798	0.766	70	10	DCIE	
Cc1ccc(O)c(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1	2287076361	RSSPKCNSCHANIH-SECBINFHSA-N	302.327	0.719	70	10	DCIE	
COC(=O)CCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	217287620	PWQCUUYASVYBJK-CYBMUJFWSA-N	319.361	0.650	70	10	DCIE	
O=C1CN(C(=O)c2ccc(F)c(S(=O)(=O)Cl)c2)CCN1	585671312	AAEUHSMFQXELCE-UHFFFAOYSA-N	320.729	0.325	70	10	DCIE	
CC(C)(C)OC(=O)N1CC[C@H]2OCCN(S(=O)(=O)F)[C@H]2C1	1886614223	JUKKVEULVSWALL-VHSXEESVSA-N	324.374	0.911	70	10	DCIE	
CCOCCN[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1317262370	CHKPHOBZYOXARL-VIFPVBQESA-N	321.374	0.417	70	10	DCIE	
CC(C)C(=O)NC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1704008211	IDEGKYZEGUSXKI-QMMMGPOBSA-N	319.358	0.563	70	10	DCIE	
Cc1cc(F)c(C(=O)NCCOC(C)C)cc1S(N)(=O)=O	161481049	MRMYSTFKLNIFNJ-UHFFFAOYSA-N	318.370	0.936	70	10	DCIE	
CN(CC1CC1)C(=O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1	159429209	SWWJVXJDIMSREC-OAHLLOKOSA-N	322.453	0.269	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)NCC2(O)CCCCC2)[C@H](C)CO1	159823761	YZQNHAWMBMSGRV-VXGBXAGGSA-N	306.428	0.625	70	10	DCIE	
Cc1c(S(=O)(=O)N[C@H]2CCN(C)[C@@H](C)C2)c(N)nn1C	218071820	MLOFHGZTFVQODZ-WPRPVWTQSA-N	301.416	0.072	70	10	DCIE	
CCOC(=O)CCC(=O)Nc1nn(C)cc1S(=O)(=O)F	1923158733	TZFIXNUYFUBRFW-UHFFFAOYSA-N	307.303	0.360	70	10	DCIE	
C[C@@H]1COCC[C@@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923178598	RWXFGEUHCSOLQP-SFYZADRCSA-N	305.331	0.111	70	10	DCIE	
Cc1nn(C[C@@H]2CCN(C)C2=O)c(C)c1S(=O)(=O)Cl	692743122	TWJMYVOLTIFWFE-VIFPVBQESA-N	305.787	0.906	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ncccc1Cl	2271484304	BUNBHAMAOUOCJG-SSDOTTSWSA-N	307.734	0.753	70	10	DCIE	
C[C@@H](C(=O)NC1CN(S(=O)(=O)F)C1)N1[C@H](C)CC[C@H]1C	2284152328	WLZVMYKMAQKWTP-BBBLOLIVSA-N	307.391	0.262	70	10	DCIE	
CC(C)COCCC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O	160235181	ZEHIQTVWLMRUQX-QWHCGFSZSA-N	320.455	0.883	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1c1nc(Cl)nnc1Cl	160285196	QKBPZCFRTNDJAD-SSDOTTSWSA-N	320.180	0.908	70	10	DCIE	
CN(C)c1ncccc1CNC(=O)CS(=O)(=O)C(C)(C)C	160412193	ADQIDTUWFHUNSP-UHFFFAOYSA-N	313.423	0.977	70	10	DCIE	
CCNC(=O)NC(=O)[C@@H](C)OC1CCC(C(=O)OC)CC1	160485347	WHFZWBQGTPNJCC-KPPDAEKUSA-N	300.355	0.969	70	10	DCIE	
CCOc1ccc(C(=O)NC[C@@H](O)Cn2ccccc2=O)cn1	218446459	YCBXNHXACCQOGB-CYBMUJFWSA-N	317.345	0.433	70	10	DCIE	
Cn1ncc(CCC(=O)Nc2ncc(S(=O)(=O)F)s2)n1	1543643927	FYEVSMANXKYVDP-UHFFFAOYSA-N	319.343	0.501	70	10	DCIE	
CCCn1c(C[C@@H]2COCCO2)nnc1S(=O)(=O)Cl	1916699926	KRAMRWRHLQSHBV-MRVPVSSYSA-N	309.775	0.574	70	10	DCIE	
O=C(c1ccccc1[N+](=O)[O-])N1CC(CS(=O)(=O)F)C1	1968216350	XIJCHNSMYMIUJO-UHFFFAOYSA-N	302.283	0.966	70	10	DCIE	
CC1(C)C[C@H](CC(=O)N2CCN(S(=O)(=O)F)CC2)CO1	1974014197	GEZLQAYEEDCCEH-JTQLQIEISA-N	308.375	0.550	70	10	DCIE	
C[C@H]1CS(=O)(=O)CCN1CCC[C@@H](C)S(=O)(=O)Cl	2037933379	BBOIPFYZFCRKKT-VHSXEESVSA-N	317.860	0.843	70	10	DCIE	
CO[C@@H]1COC[C@@H]1n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	2090561832	AZIROEQOHUIRRW-NTSWFWBYSA-N	311.703	0.305	70	10	DCIE	
COc1ccc([B-](F)(F)F)cc1OC[C@@H]1CCS(=O)(=O)N1	2146187756	JNMREMFGAQAZFL-VIFPVBQESA-N	324.109	0.820	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1CO[C@H]2C[C@@H]1C2	2183066875	MCOWOWOGFHUJRX-XKSSXDPKSA-N	318.782	0.860	70	10	DCIE	
COC[C@@H]1C[C@@H]1CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2189958105	YQHBMESTQMUZON-SFYZADRCSA-N	321.786	0.658	70	10	DCIE	
Cc1nnc(O)c(C(=O)N2CC(CS(=O)(=O)F)C2)c1C	2199682363	IPXGZNKOEQYENK-UHFFFAOYSA-N	303.315	0.170	70	10	DCIE	
CC(C)(C)OC(=O)N1CC([C@H]2CC(=O)N2S(=O)(=O)Cl)C1	2242258952	PXFYUWWPHYQKHX-MRVPVSSYSA-N	324.786	0.938	70	10	DCIE	
Cn1cnc2sc(C(=O)NC3CN(S(=O)(=O)F)C3)cc21	2284142586	OWPFBHBLUXPEFI-UHFFFAOYSA-N	318.355	0.263	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@@H]3CO[C@H]2C3)c1S(=O)(=O)Cl	2359538255	PVHYUZLNMNMBOP-RNJXMRFFSA-N	319.770	0.553	70	10	DCIE	
Cc1nnc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)o1	235959613	JZJVILZVTZYBER-UHFFFAOYSA-N	307.675	0.459	70	10	DCIE	
C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1517955907	JGRKROXAIUASBL-KWQFWETISA-N	302.327	0.994	70	10	DCIE	
O=S1(=O)CC[C@@H]2CN(c3ncc([B-](F)(F)F)cn3)C[C@@H]21	2116146514	UMSASDIMGZPHOU-APPZFPTMSA-N	306.098	0.154	70	10	DCIE	
CS(=O)(=O)C[C@H]1CCN(c2ncncc2[B-](F)(F)F)C1	2116149861	IVVHCNUFJMYQMW-QMMMGPOBSA-N	308.114	0.402	70	10	DCIE	
CCC(=O)N[C@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1571747268	QKPGHZUAWLNONC-SFYZADRCSA-N	319.358	0.706	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1Cc1cccnc1C(N)=S	159816384	HRVMYJJAIMOWHY-NSHDSACASA-N	308.407	0.053	70	10	DCIE	
CN(C)CCn1ncc(N[C@](C)(CN)C2CC2)c(Cl)c1=O	159890691	PXHLPCMTBLWJTO-CQSZACIVSA-N	313.833	0.998	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)[C@H](C(N)=S)C(C)C	159779080	OOOSZPBNJXAFKX-MNOVXSKESA-N	315.439	0.298	70	10	DCIE	
Cn1nc(C(=O)N2CC(CS(=O)(=O)F)C2)cc1C(F)F	1968227662	QDBRHCOLPYTLJS-UHFFFAOYSA-N	311.285	0.729	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)[nH]1	1923163898	NFZZMCMWHOGGKR-HLTSFMKQSA-N	301.343	0.875	70	10	DCIE	
CO[C@H](C(=O)N1CCC[C@H](S(=O)(=O)F)C1)[C@H]1CCOC1	2150280131	JICDKNNRBOTXKV-DCAQKATOSA-N	309.359	0.328	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)[C@@H]2CC2(F)F)C1	2078998804	YDVHCZINPRDLKP-SSDOTTSWSA-N	307.315	0.345	70	10	DCIE	
O=C(NC[C@H]1OCC[C@H]1F)c1cc(S(=O)(=O)Cl)c[nH]1	2122554117	XWNSAYOSHXKJQN-VXNVDRBHSA-N	310.734	0.799	70	10	DCIE	
CC1(C)[C@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1(F)F	2271496637	ZMWOYODGWBQHFM-BQBZGAKWSA-N	300.302	0.683	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccc(O)c(O)c1	2287077057	VIVLWSVIHPOSMB-MRVPVSSYSA-N	304.299	0.116	70	10	DCIE	
COCCn1c([C@H](OC)C2CC2)nnc1S(=O)(=O)Cl	703130092	KOKGFIFXNMWYJU-MRVPVSSYSA-N	309.775	0.950	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1CCO[C@@H]2C[C@H]21	2115269049	HSGPYOKRVHJCDH-PSASIEDQSA-N	304.755	0.566	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCC[C@H]2F)C1	2118895059	MQUOTTPMILVCNZ-OPRDCNLKSA-N	317.379	0.971	70	10	DCIE	
CCc1cccnc1CNS(=O)(=O)c1cnc(NC)nc1	161014024	YSQFXCLCBLGJQS-UHFFFAOYSA-N	307.379	0.954	70	10	DCIE	
CC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@@H](N)C1)C2=O	160281928	JBOMDZGEYJDWBN-LOIXOFCESA-N	308.382	0.047	70	10	DCIE	
C[C@H]1CN[C@H](C)CN1c1cnn(CCN(C)C)c(=O)c1Cl	159567964	WAXJMCCISULXTN-MNOVXSKESA-N	313.833	0.645	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1[C@H]2CCOC[C@H]21	2150094784	RDDCXYLYAZIUML-BWZBUEFSSA-N	320.754	0.159	70	10	DCIE	
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CO1	401463444	KKVXQRWIAHWOFX-IUCAKERBSA-N	323.367	0.801	70	10	DCIE	
COC(=O)NS(=O)(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2073787205	NXXVAZHKZVTUHL-HTRCEHHLSA-N	301.075	0.901	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2C[C@@H](OC)[C@H](OC)C2)n1	2280519074	UZGKGNTTXGVCRE-NXEZZACHSA-N	305.085	0.995	70	10	DCIE	
O=C(c1ccn(C(F)(F)F)n1)N1CC[C@@H](S(=O)(=O)F)C1	2295208726	HYGMSVVFTWLCRN-ZCFIWIBFSA-N	315.248	0.873	70	10	DCIE	
Cc1ccccc1CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287064606	DXLFJFNZYVVWHZ-GFCCVEGCSA-N	300.355	0.942	70	10	DCIE	
O=[N+]([O-])c1ccnc(S(=O)(=O)CCS(=O)(=O)Cl)c1	112084143	PWHFVEXADCFCGA-UHFFFAOYSA-N	314.728	0.332	70	10	DCIE	
CCOC(=O)c1nnn(CCN2CCNC2=O)c1C(F)F	159585070	ALMWAYLQWYDSDR-UHFFFAOYSA-N	303.269	0.418	70	10	DCIE	
C[C@H]1C[C@@H](N)CN(c2cnn(CCN(C)C)c(=O)c2Cl)C1	159798548	DLTQUFKMECIGQA-WDEREUQCSA-N	313.833	0.632	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2c(C)cc(N)cc2C)CCOC1	159898700	KPVGPSNNBSUYQI-AWEZNQCLSA-N	314.407	0.969	70	10	DCIE	
CCS(=O)(=O)c1cccc(CC(=O)NC(C)(C)C(N)=O)c1	160013816	BTDPFUDVFBXLDD-UHFFFAOYSA-N	312.391	0.403	70	10	DCIE	
CCN(C1CCNCC1)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1	218607761	YPURCHBKJSVQTO-RYUDHWBXSA-N	305.444	0.414	70	10	DCIE	
COCCn1c(Cn2cccn2)nnc1S(=O)(=O)Cl	234667249	BDLXRHPONWHPKH-UHFFFAOYSA-N	305.747	0.097	70	10	DCIE	
COCCn1c(-c2n[nH]cc2C)nnc1S(=O)(=O)Cl	387925391	DJQVYDCGDRHODE-UHFFFAOYSA-N	305.747	0.551	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CO[C@H](C)[C@H]2C)c1S(=O)(=O)Cl	405554875	BUOPWHINMHNAKZ-LPBLVHEISA-N	321.786	0.799	70	10	DCIE	
O=Cc1cc(CS(=O)(=O)F)cc(OS(=O)(=O)F)c1	1887520436	NYONKWIOYRWIAT-UHFFFAOYSA-N	300.260	0.892	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C(F)(F)C23CC3)[nH]1	1923173110	DUWBUQIIEGPXJJ-LURJTMIESA-N	309.269	0.484	70	10	DCIE	
COCc1nc(C(=O)NCC2CN(S(=O)(=O)F)C2)cs1	1974059069	JHYIKXIYHJBKBQ-UHFFFAOYSA-N	323.371	0.165	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1CC(=O)N1CCC1	2089712984	CMLSTPZJHPUHLH-UHFFFAOYSA-N	305.787	0.995	70	10	DCIE	
O=S1(=O)CC[C@@H](COc2ccc(F)cc2[B-](F)(F)F)N1	2089978916	DMEJFOGAVPKMLO-QMMMGPOBSA-N	312.073	0.951	70	10	DCIE	
O=C1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)nc2)CN1	2166518313	CUJICENJOLTOED-SSDOTTSWSA-N	301.299	0.205	70	10	DCIE	
Cc1cnc(N(C)CCS(=O)(=O)N(C)C)c([B-](F)(F)F)c1	2172797704	JSDQHMJPCNUBNG-UHFFFAOYSA-N	324.157	0.772	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)C1CC(C(F)(F)F)C1	2268806189	BKBYQSUZMQOZCF-UHFFFAOYSA-N	304.265	0.590	70	10	DCIE	
CN(C)C(=O)NCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C1	160761671	JKCYCLHVNWOQEV-LLVKDONJSA-N	300.403	0.857	70	10	DCIE	
CNC(=O)c1cccc(CCC(=O)NCCn2cccn2)c1	161023639	GSFFBCJBQSFISL-UHFFFAOYSA-N	300.362	0.992	70	10	DCIE	
CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1	161111719	YEAJWPLFVYJEQE-GHMZBOCLSA-N	321.343	0.998	70	10	DCIE	
CCCn1nccc1NC(=O)NCCNC(=O)c1ccn[nH]1	161486202	DZXMZLXLMBAXJW-UHFFFAOYSA-N	305.342	0.568	70	10	DCIE	
Cc1ccc(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)n1C	1923175884	RTUKUVATVBJFAJ-UHFFFAOYSA-N	300.315	0.399	70	10	DCIE	
CN([C@]1(CNC(=O)OC(C)(C)C)CCOC1)S(=O)(=O)F	1954657661	ZSWCPILJNWDMJF-NSHDSACASA-N	312.363	0.816	70	10	DCIE	
COc1cccn2c(=O)cc(OS(=O)(=O)C(F)(F)F)nc12	2049398789	AYPANVSTXARMBZ-UHFFFAOYSA-N	324.236	0.932	70	10	DCIE	
C[C@H]1CCCCN1S(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2088470161	VBKIQJUSMDDSAH-VHSXEESVSA-N	314.404	0.479	70	10	DCIE	
Cn1c(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)cnc1Cl	2088472438	QNSXZDIBWKAUBO-ZETCQYMHSA-N	309.750	0.977	70	10	DCIE	
O=S(=O)(Cl)c1nnc(CCn2cnnc2)n1C1CC1	2090393282	BOSFBBSWBKCXRJ-UHFFFAOYSA-N	302.747	0.375	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1C[C@H]1C(F)(F)F	2108160653	JNCHHZFUICCXJH-NKWVEPMBSA-N	304.265	0.447	70	10	DCIE	
Cc1cccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)c1F	2134980424	DHRPHBAVMUHKPL-UHFFFAOYSA-N	311.331	0.806	70	10	DCIE	
O=C(N1CC(CCS(=O)(=O)F)C1)[C@]12COC[C@@H]1C2(F)F	2199688886	NDTMHKLSROAVDI-WPRPVWTQSA-N	313.297	0.416	70	10	DCIE	
O=C(CCc1ccncc1)N[C@H]1CCN(S(=O)(=O)F)C1	2287080014	PBELLTPIRMNFRG-NSHDSACASA-N	301.343	0.419	70	10	DCIE	
CCOC(CCN1CCC[C@@H](C(=O)NCCN)C1)OCC	159558742	OPKQUBAYKHNXHD-CYBMUJFWSA-N	301.431	0.563	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1Cc1ccnc(C(N)=S)c1	159816220	VYVSCCOQMNKHGH-GFCCVEGCSA-N	308.407	0.053	70	10	DCIE	
CC1(O)CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1	160634800	RQESVFLVWKNGJJ-UHFFFAOYSA-N	310.375	0.717	70	10	DCIE	
Nc1ccc(Cl)c(S(=O)(=O)NCCNC(=O)C2CC2)c1	160647166	OWZOJTOCVVJQGJ-UHFFFAOYSA-N	317.798	0.727	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccc(CCN)s2)CCOC1	160679804	HYAHKKHBNYTTOQ-LBPRGKRZSA-N	320.436	0.333	70	10	DCIE	
CN[C@H](c1c(Cl)cnn1CCOC)[C@H]1CN2CCN1CC2	161363517	OWSAGBGRQKEAGO-OLZOCXBDSA-N	313.833	0.443	70	10	DCIE	
Cn1cc([C@H](NC(=O)CCN2CCOCC2)C2CC(O)C2)cn1	218406718	HWYZAIUNZLSFBA-LDZOIKDWSA-N	322.409	0.071	70	10	DCIE	
O=C(NC[C@@H](O)Cn1ccccc1=O)c1ccc(F)cc1F	218425068	KMSKVGAJLPMPKT-LLVKDONJSA-N	308.284	0.917	70	10	DCIE	
CCc1[nH]nc(C(=O)N2CC[C@@H](OC)C2)c1S(=O)(=O)Cl	234319463	KZHLWZWYXMVPMH-SSDOTTSWSA-N	321.786	0.761	70	10	DCIE	
O=C1NCCN(c2ccccc2CS(=O)(=O)Cl)C1=O	258585750	CWTALKYPXMDKCP-UHFFFAOYSA-N	302.739	0.218	70	10	DCIE	
CCC(=O)c1ccc(S(=O)(=O)Cl)c(OC[C@H](O)CO)c1	260996422	FHQVTDWQNJEKQO-SECBINFHSA-N	322.766	0.939	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2CO[C@@H](C)C2)c1S(=O)(=O)Cl	401456151	HUDPCKHWSWWGAG-CAHLUQPWSA-N	307.759	0.553	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@H](C)CS(C)(=O)=O	689696594	KKFRNAHGULIQKK-ZETCQYMHSA-N	314.816	0.800	70	10	DCIE	
CO[C@]1(C)C[C@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	694439358	SQGYBCIUNPAUIY-LHLIQPBNSA-N	307.759	0.553	70	10	DCIE	
Cn1nncc1C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	1533252174	FJNSEYWDUKCMRI-UHFFFAOYSA-N	302.262	0.865	70	10	DCIE	
CC(C)S(=O)(=O)CCN(C)CCCS(=O)(=O)Cl	2004000912	PALVCHIADIIPHC-UHFFFAOYSA-N	305.849	0.700	70	10	DCIE	
CCCCN(C)S(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2028131402	UYMIPTINQQYJPC-SECBINFHSA-N	302.393	0.337	70	10	DCIE	
O=C(c1ccnn1C1CC1)N1CC(CCS(=O)(=O)F)C1	2199684590	RACPDSHFYGCZLW-UHFFFAOYSA-N	301.343	0.979	70	10	DCIE	
CS(=O)(=O)CS(=O)(=O)N1CCC([B-](F)(F)F)CC1	2216953680	FEILOBXENZTMFJ-UHFFFAOYSA-N	308.132	0.632	70	10	DCIE	
C[C@@]1(C(=O)NC2CN(S(=O)(=O)F)C2)CCCC1(F)F	2268807643	PYSKMLROFZCCOQ-VIFPVBQESA-N	300.302	0.827	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@@H]2CCN3CCC[C@H]23)cc1N	159596152	ARVNYESUXVRFSO-CHWSQXEVSA-N	310.423	0.826	70	10	DCIE	
COCCn1ncc(N2CCO[C@@H]([C@H](C)N)C2)c(Cl)c1=O	159948743	MCXLZFYGFGICRL-GXSJLCMTSA-N	316.789	0.096	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)NCC2(CO)CCCC2)C[C@@H](C)O1	160347609	GULOBQSPNVBPGW-TXEJJXNPSA-N	306.428	0.483	70	10	DCIE	
Nc1cccc(F)c1S(=O)(=O)NCCNC(=O)C1CC1	160648083	FEKKEZWSXUPNBH-UHFFFAOYSA-N	301.343	0.212	70	10	DCIE	
CCNc1ccncc1S(=O)(=O)NCCNC(=O)C1CC1	160962687	CMPDSEPDGFRVJN-UHFFFAOYSA-N	312.395	0.318	70	10	DCIE	
Cn1nnc(C(=O)NCc2ccc(S(=O)(=O)Cl)cc2)n1	697220311	FIYGYGHPAZKUFT-UHFFFAOYSA-N	315.742	0.068	70	10	DCIE	
CC[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC[C@H](C)O	1269470988	DAKXUSAETCDGQK-DTWKUNHWSA-N	321.374	0.152	70	10	DCIE	
CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(N)=O	1537986081	YNTWYVMSWQTJIX-RCOVLWMOSA-N	305.331	0.303	70	10	DCIE	
CCC(=O)NC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1701163518	NOBCZNOSPRGFGE-MRVPVSSYSA-N	319.358	0.660	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)[nH]1	1923144548	QYMCQSQQJYXGMJ-BWZBUEFSSA-N	303.315	0.006	70	10	DCIE	
COCCCS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2028127357	HUHLONRZYFRVAB-SECBINFHSA-N	303.377	0.116	70	10	DCIE	
Cc1nc(Cl)cc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)n1	2287062879	KRSQLZUAQGLEKW-ZETCQYMHSA-N	322.749	0.457	70	10	DCIE	
CC[C@@H](O)c1cccc(S(=O)(=O)N(C)C[C@@H](O)COC)c1	218040944	ZOLAVISVMLVRQZ-TZMCWYRMSA-N	317.407	0.758	70	10	DCIE	
C#CCCNC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1321652394	KKTDKUDWAXKFBP-SECBINFHSA-N	301.343	0.404	70	10	DCIE	
CC(C)[C@@H](O)CC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O	161111113	BBFXDQWYOHGYLJ-RYUDHWBXSA-N	308.382	0.439	70	10	DCIE	
CS(=O)(=O)N1CCN(CCC(=O)c2ccc(F)cn2)CC1	161190276	BSVKONGBYPDDHY-UHFFFAOYSA-N	315.370	0.371	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2CCO[C@@H]2C)c1S(=O)(=O)Cl	157075501	NWSNSPIIOPIPBB-RQJHMYQMSA-N	307.759	0.553	70	10	DCIE	
CCO[C@@]1(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)CCOC1	1968235485	LSXVUQBQJBEMGS-PWSUYJOCSA-N	309.359	0.472	70	10	DCIE	
O=S(=O)(C(F)F)C1CN(c2ncc([B-](F)(F)F)cn2)C1	2141743959	PGXHKAOYJJOGFA-UHFFFAOYSA-N	316.040	0.357	70	10	DCIE	
COc1cc(OC)c(C(=O)N2CC(S(=O)(=O)F)C2)cn1	1972979632	KQNAQAPANUQCRX-UHFFFAOYSA-N	304.299	0.223	70	10	DCIE	
CC[C@H](Nc1cc(S(N)(=O)=O)ccc1OC)C(=O)OC	159527159	CGINEDNVZXIGBN-VIFPVBQESA-N	302.352	0.706	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)n1	2172758526	RFDIRKDMJIGTTL-HTQZYQBOSA-N	322.141	0.851	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)[C@H]2CCCC[C@@H]2F)C1	2078989837	BETDIVNQAOZDNC-IUCAKERBSA-N	303.352	0.580	70	10	DCIE	
Cc1cc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)cc(O)n1	2236097439	RIPTVCOROKNVMX-JTQLQIEISA-N	302.327	1.000	70	10	DCIE	
Cc1nn(C)c(C(=O)NC2CN(S(=O)(=O)F)C2)c1Cl	2268803456	GEQIDSBTQDGUHZ-UHFFFAOYSA-N	310.738	0.010	70	10	DCIE	
COCCn1c([C@H]2[C@@H]3CCCO[C@@H]32)nnc1S(=O)(=O)Cl	2355567563	VCYJZIPHOUTNBV-CIUDSAMLSA-N	321.786	0.744	70	10	DCIE	
CCN1CCCC[C@H]1C(=O)NC1CCC(C(=O)NC(N)=O)CC1	159549877	CZNNGXJZVWPVIG-BPCQOVAHSA-N	324.425	0.731	70	10	DCIE	
Cc1nc(C(=O)NCc2nncn2-c2ccccc2)c(=O)[nH]c1C	159937472	XBNWYGLLPDLWIL-UHFFFAOYSA-N	324.344	0.897	70	10	DCIE	
O=C(NC[C@@H](O)Cc1ccccc1)N[C@@H]1CCc2ncnn2C1	161307799	RDFQIZMAXFDTPC-KGLIPLIRSA-N	315.377	0.496	70	10	DCIE	
CN1CC[C@@H](Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)C1=O	692741998	MVSNITCSQJNOEI-LURJTMIESA-N	322.730	0.197	70	10	DCIE	
Cn1cc(CCOC(=O)c2ccc(S(=O)(=O)F)cc2)nn1	859709930	CBANJLLJVRZFSJ-UHFFFAOYSA-N	313.310	0.873	70	10	DCIE	
CC(C)(C)OC(=O)NCCCC(=O)N1CC(S(=O)(=O)F)C1	1897481055	IYBWJWKQJONVQY-UHFFFAOYSA-N	324.374	0.801	70	10	DCIE	
Cc1cc(N2CC(CS(C)(=O)=O)C2)ncc1[B-](F)(F)F	2116141399	ZHNNKRQZLAXHCI-UHFFFAOYSA-N	307.126	0.925	70	10	DCIE	
C#C[C@@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	2169182102	ZHBJLWHNVFOSLX-SNVBAGLBSA-N	317.363	0.989	70	10	DCIE	
Cc1nc(OCCN2CCOC[C@H]2C)ncc1[B-](F)(F)F	2285428049	GSWIKQXQJUVKKM-SECBINFHSA-N	304.101	0.939	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(C)C[C@@H]2CCN(C)C2)cc1N	159621376	RDOFXTGVLDEAGM-LLVKDONJSA-N	312.439	0.565	70	10	DCIE	
CC[C@H](O)CCNC(=O)c1cccc(S(N)(=O)=O)c1C	159850865	ZGPKBPMMGWEAFK-JTQLQIEISA-N	300.380	0.533	70	10	DCIE	
CCN(C)C(=O)CNc1ccc(S(=O)(=O)NC)c(N)c1	218425698	XDAUEFBXDJKSPZ-UHFFFAOYSA-N	300.384	0.067	70	10	DCIE	
CCC(=O)c1ccc(OC[C@@H](O)CO)c(S(=O)(=O)Cl)c1	260999773	GLKMOURLXBGTML-VIFPVBQESA-N	322.766	0.939	70	10	DCIE	
Cc1cc(C#N)cnc1S(=O)(=O)CCS(=O)(=O)Cl	690318866	DLBDINUBBIYBEX-UHFFFAOYSA-N	308.768	0.604	70	10	DCIE	
CCc1nnc(Cn2cc(S(=O)(=O)Cl)nc2C)n1C	698567968	AMAPWFSKPJLDBJ-UHFFFAOYSA-N	303.775	0.858	70	10	DCIE	
CO[C@H]1CC[C@@H]1N(C)C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	724160381	KQMGKIQMTKVCNY-YUMQZZPRSA-N	321.786	0.895	70	10	DCIE	
N#CCN[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1265370596	USPLJRAWKJKOIU-NSHDSACASA-N	314.342	0.294	70	10	DCIE	
CO[C@]1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCSC1	1347352004	QYDMMHXERNUCSX-NSHDSACASA-N	322.383	0.925	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CC(CF)C2)cc1	1972706780	UZILJZXAPXHESQ-UHFFFAOYSA-N	311.331	0.935	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C[C@]12CC2(F)F	1974394363	HXUMZACKOWXZDE-WPRPVWTQSA-N	312.313	0.827	70	10	DCIE	
CC(C)c1nc(S(=O)(=O)Cl)cn1[C@@H](C)C(=O)NC(N)=O	2143426000	YTGAOGSGNZKOQS-LURJTMIESA-N	322.774	0.690	70	10	DCIE	
O=C(NCCO[C@H]1CCOC1)c1cc(S(=O)(=O)Cl)c[nH]1	2143823184	QCJAETASAZHFAN-QMMMGPOBSA-N	322.770	0.478	70	10	DCIE	
C[C@@H]1C[C@@H](CCn2cc(S(=O)(=O)Cl)c(O)nc2=O)CO1	2159303146	VLTBEENYWNXUDX-HTQZYQBOSA-N	322.770	0.692	70	10	DCIE	
COc1cc(-c2nnc(S(=O)(=O)Cl)n2C)cc(OC)n1	2166951426	XOWXGOKGDMZQJQ-UHFFFAOYSA-N	318.742	0.822	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@]2(C)CCCOC2)[nH]1	2190129931	IGKQXOLMHLDPAU-LLVKDONJSA-N	305.331	0.255	70	10	DCIE	
Cc1ccc(N(CC(=O)N[C@@H]2CC[C@@H]2N)S(C)(=O)=O)cc1	216900111	XAKLEFWGDLSJKV-QWHCGFSZSA-N	311.407	0.367	70	10	DCIE	
C[C@H]1CC[C@H](Cn2cc(S(=O)(=O)Cl)c(=O)[nH]c2=O)O1	232023570	MUOCMTSKZADNIL-NKWVEPMBSA-N	308.743	0.032	70	10	DCIE	
CNC(=O)[C@H](C)n1nc([N+](=O)[O-])c(S(=O)(=O)Cl)c1C	305959243	IRBSADQEDCSUIV-YFKPBYRVSA-N	310.719	0.334	70	10	DCIE	
C[C@H](CN1CCOCC1)Cn1cc(S(=O)(=O)Cl)cn1	720683092	HKXCHHOAKUOUPJ-SNVBAGLBSA-N	307.803	0.779	70	10	DCIE	
CN=[S@@](C)(=O)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1149042976	KCAFCKDCUKNLGU-SFHVURJKSA-N	311.360	0.130	70	10	DCIE	
NC(=O)C1(NC(=O)c2ccc(S(=O)(=O)F)cc2Cl)CC1	1533769749	SAWYENCRNBKDRC-UHFFFAOYSA-N	320.729	0.746	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2CCCSCC2)[nH]1	1923163949	NVOUISBZJVYKKP-QMMMGPOBSA-N	321.399	0.972	70	10	DCIE	
CC[C@]1(C(=O)N2CCN(S(=O)(=O)F)CC2)CC1(F)F	1974014015	DDYNCPQVMTUPID-SECBINFHSA-N	300.302	0.780	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)C2[C@@H]3CCCC[C@@H]23)C1	2094585078	SQHZNWSXBRULBX-OPRDCNLKSA-N	311.400	0.878	70	10	DCIE	
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(S(=O)(=O)F)CC1	2144732583	HKGWNEHYFZYIPN-UHFFFAOYSA-N	305.287	0.827	70	10	DCIE	
CN(C)CCN(C)CCN(C)c1ncncc1[B-](F)(F)F	2179014420	YKDJADZLASPIJO-UHFFFAOYSA-N	304.149	0.461	70	10	DCIE	
O=C(CN1C(=O)CNC1=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2194122968	DSHVGRKPCPXSHV-WRWORJQWSA-N	304.057	0.378	70	10	DCIE	
O=C(N1CCC(S(=O)(=O)F)CC1)C12COC(CF)(C1)C2	2202585863	BYUZIPQXABYHRL-UHFFFAOYSA-N	309.334	0.795	70	10	DCIE	
Cn1c(-c2nnn3c2CCCC3)nnc1S(=O)(=O)Cl	2273623262	KHJVHWBUNIVDOI-UHFFFAOYSA-N	302.747	0.337	70	10	DCIE	
Cc1ncnc(OCCN2CCN(C)CC2)c1[B-](F)(F)F	2296334807	SMLNJCGILDORET-UHFFFAOYSA-N	303.117	0.466	70	10	DCIE	
COC[C@H]1C[C@@H](NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	714281170	XKELCJUKOYQUFD-OCAPTIKFSA-N	321.786	0.800	70	10	DCIE	
CCn1nnnc1Cn1cc(S(=O)(=O)Cl)nc1C(C)C	698603720	XWCRMBQURNCWAA-UHFFFAOYSA-N	318.790	0.989	70	10	DCIE	
O=C(N[C@H](CO)C[C@H]1CCCO1)c1cc(S(=O)(=O)F)c[nH]1	1155500340	KJJXRRHJSVAZHP-DTWKUNHWSA-N	320.342	0.333	70	10	DCIE	
COC[C@H](O)CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	1612304018	CEQMOIPZKJPXIG-SNVBAGLBSA-N	322.314	0.813	70	10	DCIE	
COCc1cc(C(=O)NC[C@H]2C[C@H]2C)cc(S(N)(=O)=O)c1	160334292	FZZOGDWAOUEURF-BXKDBHETSA-N	312.391	0.866	70	10	DCIE	
CN(C)C(=O)NCCNS(=O)(=O)c1cc(N)ccc1Cl	160701437	WPOBRLMGNAEMND-UHFFFAOYSA-N	320.802	0.472	70	10	DCIE	
CO[C@H](C(=O)N1CCC[C@H](S(=O)(=O)F)C1)[C@@H]1CCCO1	1973216795	SWLYBYCQWCEXST-DCAQKATOSA-N	309.359	0.471	70	10	DCIE	
Cc1ccc(C(=O)NCC2CN(S(=O)(=O)F)C2)c(O)c1	1974058600	GJMRSUMINFLOGY-UHFFFAOYSA-N	302.327	0.577	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@H]1CNC(=O)O1	312775493	NKANGZDMFSILHI-RXMQYKEDSA-N	324.702	0.136	70	10	DCIE	
CS(=O)(=O)[C@@H]1CCC[C@@]2(CC(=O)N2S(=O)(=O)Cl)C1	2042646042	IESRUBPWILZVIV-APPZFPTMSA-N	315.800	0.428	70	10	DCIE	
CC(F)(F)[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)F)CC1	2108154311	OUWNVLFQKVDIPF-YUMQZZPRSA-N	300.302	0.636	70	10	DCIE	
C[C@@H]1CCC[C@@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)O1	2235192146	AUMJREBQKXHDMB-KOLCDFICSA-N	308.375	0.739	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cc(O)cc(O)c1	2287072234	LGYKMARRJUDQAB-QMMMGPOBSA-N	304.299	0.116	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CCOC[C@H]2C)c1S(=O)(=O)Cl	305917189	BCNFAQORDCKVNP-HTRCEHHLSA-N	321.786	0.800	70	10	DCIE	
C#CCNCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1568679460	OARJNWZQVWINQD-SECBINFHSA-N	301.343	0.404	70	10	DCIE	
O=C(NC[C@@H](O)c1ccccc1F)N[C@@H]1CCc2ncnn2C1	161330122	IVYOTMXSCCHUHN-ZWNOBZJWSA-N	319.340	0.765	70	10	DCIE	
Nc1ccc(S(=O)(=O)NCCNC(=O)C2CC2)c(Cl)c1	160652575	OQJDQUSFINWNQH-UHFFFAOYSA-N	317.798	0.727	70	10	DCIE	
CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)nc2)C1	160907914	QOZKOMNSEVFCKD-ZDUSSCGKSA-N	304.350	0.456	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CC(N2CCSCC2)C1	2134645520	WCLMGMFBAILFCN-UHFFFAOYSA-N	303.142	0.768	70	10	DCIE	
COCCOCc1nnc(S(=O)(=O)Cl)n1CCOC	234972167	WIIXVDJXTAQYCL-UHFFFAOYSA-N	313.763	0.015	70	10	DCIE	
C[C@@H](NC[C@H]1CCS(=O)(=O)C1)C(=O)NCC(F)(F)F	159782487	SJXYUZHVAUUQHL-HTQZYQBOSA-N	302.318	0.078	70	10	DCIE	
CC(C)NCCS(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	160801480	MQZMUJFYURVAPC-ZIAGYGMSSA-N	304.456	0.941	70	10	DCIE	
CNCCn1nc(C)c(S(=O)(=O)NC[C@H]2C[C@@H]2C)c1C	160806972	FPQASQXIXRVNHJ-JOYOIKCWSA-N	300.428	0.654	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C23COC(C)(C2)C3)[nH]1	2156692370	HSRAYBMWWNWVQG-UHFFFAOYSA-N	303.315	0.008	70	10	DCIE	
O=S(=O)(Cl)c1nnc(-c2nccnc2O)n1C1CC1	2110828263	PAQFRLCSIJPVTM-UHFFFAOYSA-N	301.715	0.703	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CC[C@H]1C(F)(F)F	2287077191	CSICFCRKYQDCPJ-GJMOJQLCSA-N	318.292	0.980	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1CCCOC1	115016629	AMUYZRMELIQSLE-QMMMGPOBSA-N	306.771	0.861	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@@H]1COC[C@H]1OC	2125954356	SZNBJPLEGMDDTM-HTQZYQBOSA-N	310.759	0.543	70	10	DCIE	
O=C(NC[C@H](O)Cc1ccccc1)N[C@H]1CCc2ncnn2C1	161308172	RDFQIZMAXFDTPC-UONOGXRCSA-N	315.377	0.496	70	10	DCIE	
COc1nc(Cl)nc(N2CCOC[C@@H]2C(=O)NC2CC2)n1	160277476	YIUKMXOEMCCCCA-MRVPVSSYSA-N	313.745	0.017	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)C[C@@H]2COCCN2)c1	160315103	SALBONLYBUWSJQ-SECBINFHSA-N	314.363	0.113	70	10	DCIE	
C[C@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(N)=O	159952010	CKCNIAPXLUJRCY-ZJUUUORDSA-N	302.338	0.501	70	10	DCIE	
Cc1cc(C)cc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)c1	2134974166	BHSQZWZMHKAVKO-UHFFFAOYSA-N	307.368	0.976	70	10	DCIE	
C[C@@H]1CC[C@H](Cn2cc(S(=O)(=O)Cl)c(=O)[nH]c2=O)O1	232023567	MUOCMTSKZADNIL-RNFRBKRXSA-N	308.743	0.032	70	10	DCIE	
C[C@@H](NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(N)cc1	159475183	JOQSDAOIZMCHDX-BXKDBHETSA-N	318.420	0.436	70	10	DCIE	
CCn1c(-c2cn(C)nc2OC)nnc1S(=O)(=O)Cl	2111602842	LKNWYXKKFOJZAQ-UHFFFAOYSA-N	305.747	0.635	70	10	DCIE	
O=S(=O)(NC1CN(S(=O)(=O)F)C1)[C@H]1CCCC[C@H]1F	2268783129	TYNTXFXEACRBKS-BDAKNGLRSA-N	318.367	0.085	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1c[nH]nc1C1CC1	2287063681	SRJROAXIHAHWKE-QMMMGPOBSA-N	302.331	0.306	70	10	DCIE	
CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	460095788	PWHQGLHKUJJQQN-UHFFFAOYSA-N	306.340	0.879	70	10	DCIE	
O=S(=O)(F)Cc1ncc(I)cn1	1893729442	KGMUSJFFFPHYAM-UHFFFAOYSA-N	302.068	0.881	70	10	DCIE	
NC(=O)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCCC1	1627308760	LKRAVJQRIKZXNB-UHFFFAOYSA-N	317.342	0.543	70	10	DCIE	
C=CCNC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1733255445	CUOMMYWPPSHTED-UHFFFAOYSA-N	301.343	0.711	70	10	DCIE	
CCC(=O)N1CC[C@@H](C(=O)N2CCN(CC(F)F)CC2)C1	161115735	HADMZYSXNGRXRI-LLVKDONJSA-N	303.353	0.654	70	10	DCIE	
CO[C@H]1CCN(C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)[C@H]1C	1914364062	KZJQBKXMHUOLQY-YUMQZZPRSA-N	321.786	0.895	70	10	DCIE	
COc1ccc(NC(=O)c2c[nH]nn2)cc1S(=O)(=O)Cl	157407496	ZLCFDCBRTJQLPI-UHFFFAOYSA-N	316.726	0.993	70	10	DCIE	
COc1ccc(N)cc1S(=O)(=O)N1CCC(C)(O)CC1	160354026	YDSWHYZIXYNTLJ-UHFFFAOYSA-N	300.380	0.813	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)[C@@H]2CO[C@@H](C)C2)c1S(=O)(=O)Cl	401384406	JJDRIAWYKFZJHI-XPUUQOCRSA-N	321.786	0.895	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CCCN(c2ncncc2[B-](F)(F)F)C1	2172773618	DQQQFZKMBBRSTP-SECBINFHSA-N	322.141	0.792	70	10	DCIE	
C[C@H]1C[C@@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CCO1	2182914307	WMDSTUPISVUUMA-YUMQZZPRSA-N	305.331	0.254	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)[nH]1	2189009976	RTSBHABRAIXLTN-AYMMMOKOSA-N	301.343	0.875	70	10	DCIE	
CN(CC(=O)N1CC(S(=O)(=O)F)C1)C(=O)c1cccs1	2199698773	REUDPSGNANXMLE-UHFFFAOYSA-N	320.367	0.330	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1CC(C(F)F)C1	2232329786	CKCOPJTUAZCPGA-UHFFFAOYSA-N	300.302	0.540	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@@H]2C=CCOC2)c1S(=O)(=O)Cl	2270162710	FXEARFKIEXXFOS-SSDOTTSWSA-N	306.727	0.757	70	10	DCIE	
COc1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)nc1	2287073596	WOMIMLWTKRTTTO-QMMMGPOBSA-N	303.315	0.109	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1C[C@H]2CS(=O)(=O)[C@@H]2C1	2336508043	JGARBUOSEHGWMA-WCBMZHEXSA-N	305.110	0.678	70	10	DCIE	
Cc1cnn(Cc2cc(C(=O)NCC(=O)NC(C)C)no2)c1	159765348	SJIIBSPRWHDLIN-UHFFFAOYSA-N	305.338	0.482	70	10	DCIE	
COC(=O)c1cccc(N)c1N1CCN(S(C)(=O)=O)CC1	161152967	YCDMKNSZEUEZJW-UHFFFAOYSA-N	313.379	0.137	70	10	DCIE	
CNc1ncccc1S(=O)(=O)NC[C@]1(OC)CCOC1	161205672	XMTSBSFMLZVWTI-GFCCVEGCSA-N	301.368	0.207	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)NC2CCOCC2)cc1	163306350	XIRXSAXHQMIUBE-UHFFFAOYSA-N	323.367	0.802	70	10	DCIE	
NCCN1CCN(C(=O)NCCCOc2ccccc2)CC1	217299702	VOAWFGAKNMJOJX-UHFFFAOYSA-N	306.410	0.741	70	10	DCIE	
COCCOCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	217311278	FQEANMWZDMIUKE-UHFFFAOYSA-N	317.386	0.869	70	10	DCIE	
N#CCNC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCC1	1501999682	CENLUFQWSOKBTG-UHFFFAOYSA-N	314.342	0.439	70	10	DCIE	
COc1ccc(C(=O)N2CCC(S(=O)(=O)F)CC2)nc1	1913963373	VMBBPQAANVTDKQ-UHFFFAOYSA-N	302.327	0.994	70	10	DCIE	
Cc1nn(C)c(C)c1CC(=O)N1CC(CS(=O)(=O)F)C1	1968216225	UXEBEIVNVIJUIK-UHFFFAOYSA-N	303.359	0.337	70	10	DCIE	
CCn1nc(C)cc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974059724	OBULYVCEQFSDHK-UHFFFAOYSA-N	304.347	0.087	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@H]1COCCO1	2125954532	WBDPUZAJLMMMRC-QMMMGPOBSA-N	310.759	0.372	70	10	DCIE	
COC[C@@H]1CN(c2ncncc2[B-](F)(F)F)C[C@@H]1COC	2172774906	UJYNWIHZBCELCT-AOOOYVTPSA-N	304.101	0.876	70	10	DCIE	
O=C(N1CCC[C@@H](S(=O)(=O)F)C1)C(F)(F)[C@@H]1CCOC1	2185237632	VBLQGSDVZQALLP-RKDXNWHRSA-N	315.313	0.949	70	10	DCIE	
CCc1[nH]nc(C(=O)N(C)CCOC)c1S(=O)(=O)Cl	115019698	FOEBHHLINQOADG-UHFFFAOYSA-N	309.775	0.618	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nccn2nccc12	156997313	VVSDOQUIUQVZEY-UHFFFAOYSA-N	309.756	0.072	70	10	DCIE	
CCS(=O)(=O)[C@@H]1CSCCN1Cc1nnc(NC)s1	159466486	AEQIQPUCLYPXJG-SECBINFHSA-N	322.481	0.889	70	10	DCIE	
COC(=O)Cn1cc(CCn2cnc(-c3ccccc3)n2)nn1	159819522	JVRFZCHBCDZNOZ-UHFFFAOYSA-N	312.333	0.952	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)c1cnc(N)c(Cl)c1	159971298	YMDOHEOYKOGMDR-UHFFFAOYSA-N	320.802	0.510	70	10	DCIE	
CC(C)(CO)CNc1nc(Cl)nc(N2CCOCC2)n1	160253445	UWDRNVGUJHKGJG-UHFFFAOYSA-N	301.778	0.792	70	10	DCIE	
CCCNc1nc(Cl)nc(N2CCOC[C@@H]2C(=O)NC)n1	160550086	GHTMCCPXHXOWHQ-MRVPVSSYSA-N	314.777	0.298	70	10	DCIE	
CC(C)N1CCO[C@@H](Cn2cnc(S(=O)(=O)Cl)c2)C1	215844474	SLGRXGQMHNHYFQ-JTQLQIEISA-N	307.803	0.920	70	10	DCIE	
COc1ccc(CCNC(=O)NCCCNC=O)cc1OC	217308042	TYCOZLJDAFHDMK-UHFFFAOYSA-N	309.366	0.682	70	10	DCIE	
CCCn1c([C@H](C)n2cncn2)nnc1S(=O)(=O)Cl	233400139	BWXGGOFKNUXOLT-ZETCQYMHSA-N	304.763	0.816	70	10	DCIE	
CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	460094360	NBJZRMAMYLRXGI-QMMMGPOBSA-N	306.340	0.925	70	10	DCIE	
CCn1c([C@@]23CCCN(CC2)C3)nnc1S(=O)(=O)Cl	691880771	UTBHUXPUUAAXAU-NSHDSACASA-N	304.803	0.963	70	10	DCIE	
CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C[C-]2N=C=NO2)C1	725524580	FIDJZZHUBXFDDN-CYBMUJFWSA-N	311.318	0.649	70	10	DCIE	
C[C@H](CN(C)CC#N)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1498387731	XBZYDXFCPTXVSF-MRVPVSSYSA-N	302.331	0.247	70	10	DCIE	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)F)[C@@H]2COC[C@@H]21	1882935842	RQPIFLODYUOIGT-DTWKUNHWSA-N	310.347	0.521	70	10	DCIE	
COc1cc(C)cc(S(=O)(=O)CCS(=O)(=O)Cl)n1	2049710450	HTXRMEWWZXKJMW-UHFFFAOYSA-N	313.784	0.741	70	10	DCIE	
O=S1(=O)C[C@H]2CCN(c3nc([B-](F)(F)F)cs3)[C@H]2C1	2052597477	QXKKQQBZZDUWHP-RQJHMYQMSA-N	311.139	0.821	70	10	DCIE	
CC(C)CCS(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2078990945	QMNZKUVDHFRHJL-UHFFFAOYSA-N	301.405	0.984	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CC[C@H]3CS(=O)(=O)C[C@H]32)n1	2172767500	VHAWSTDOAIBPCI-WCBMZHEXSA-N	320.125	0.463	70	10	DCIE	
O=S1(=O)C[C@H]2C[C@@H](CN(c3ncc([B-](F)(F)F)cn3)C2)C1	2185681530	KICOOUOIXGTTOI-IUCAKERBSA-N	320.125	0.402	70	10	DCIE	
CO[C@@H](C(=O)N1CC(CCS(=O)(=O)F)C1)[C@@H]1CCOC1	2199683836	GERXTFNOJJIKSC-GHMZBOCLSA-N	309.359	0.186	70	10	DCIE	
Cn1ncc2ccc(S(=O)(=O)CCS(=O)(=O)Cl)nc21	2226593034	RCSBELGOAZENEU-UHFFFAOYSA-N	323.783	0.311	70	10	DCIE	
Cc1nn(C[C@@H]2CN(C)CCO2)c(C)c1S(=O)(=O)Cl	215746300	AANCGDYWVHXSBH-JTQLQIEISA-N	307.803	0.758	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1c1ncnc(Cl)c1OC	160273485	JOXUWXDRHPSQHW-VIFPVBQESA-N	314.773	0.870	70	10	DCIE	
CCN[C@@H](C)c1cccc(S(=O)(=O)NCCNC(N)=O)c1	160938840	KRTUUSUJYHXCIS-JTQLQIEISA-N	314.411	0.304	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(F)c(CN)c1	159869302	CUKJMBIWSWJVMT-UHFFFAOYSA-N	317.386	0.477	70	10	DCIE	
CCN(CC)C(=O)Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215933749	QJPJVPDIFNXQDN-UHFFFAOYSA-N	324.746	0.587	70	10	DCIE	
CCC[C@@H]1CC[C@@H](O)[C@@H](N2CCN(S(C)(=O)=O)CC2)C1	217967979	HHFMDMLICQBZGL-HZSPNIEDSA-N	304.456	0.893	70	10	DCIE	
O=C(c1ccc(O)cc1O)N1CCN(S(=O)(=O)F)CC1	1974000682	DVOSKBMBJPGKPQ-UHFFFAOYSA-N	304.299	0.070	70	10	DCIE	
C[C@@H](CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1)N1CCCC1	161457929	UOIMNAFLUWJSGH-VIFPVBQESA-N	319.814	0.791	70	10	DCIE	
C[C@H]1CCO[C@H]1CC(=O)Nc1nn(C)cc1S(=O)(=O)F	2157309879	KJFSLDZKQOYWER-YUMQZZPRSA-N	305.331	0.832	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CCNC(=O)C1	2182342760	CLZMWRAPSSJCCR-MRVPVSSYSA-N	321.786	0.483	70	10	DCIE	
O=S(=O)(CCCC1CC1)NCC1CN(S(=O)(=O)F)C1	2108159358	WZBLIUVRCBRAJU-UHFFFAOYSA-N	314.404	0.242	70	10	DCIE	
CN([C@H]1CCOC1)S(=O)(=O)Cc1ccccc1C(N)=S	159446720	KOUPMUCQTPFLIE-NSHDSACASA-N	314.432	0.871	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1C(=O)c1csc([C@H](C)N)n1	159546693	XPRHNFYOSCQNGK-WCBMZHEXSA-N	312.395	0.140	70	10	DCIE	
CC(C)c1nc(N(C)C)nc(N2CCS(=O)(=O)[C@@H](C)C2)n1	159902425	TWGSVQITNSUYKM-JTQLQIEISA-N	313.427	0.684	70	10	DCIE	
CNC(=O)c1cccc(OCC(=O)N[C@@H](CO)CC(C)C)c1	161013931	CFHHRNNCVUWOQV-CYBMUJFWSA-N	308.378	0.948	70	10	DCIE	
COc1cccc2ccc(CNCCNS(C)(=O)=O)nc12	161134679	OUFQEXWGJBANMW-UHFFFAOYSA-N	309.391	0.882	70	10	DCIE	
CCOC(=O)NCCNC(=O)N[C@@H]1CC(=O)N(C(C)C)C1	217289328	XPVDHLSEMDJBDQ-SNVBAGLBSA-N	300.359	0.041	70	10	DCIE	
CC[C@@H](COC)c1nnc(S(=O)(=O)Cl)n1CCOC	1879027853	YRISBPULDRZRIK-QMMMGPOBSA-N	311.791	0.992	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C2(C)CC(F)(F)C2)[nH]1	1923155143	AAVRGQAQWVUTEO-UHFFFAOYSA-N	311.285	0.874	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C2CCC(F)CC2)[nH]1	1923175918	SBCLMQCBYNUXRU-UHFFFAOYSA-N	307.322	0.967	70	10	DCIE	
CC(=O)Nc1cc(OS(=O)(=O)F)c(C(=O)O)cc1C#N	2081104004	HJEJTLVXSWEXEW-UHFFFAOYSA-N	302.239	0.808	70	10	DCIE	
Cc1nc[nH]c1S(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2093397910	GOIFLEBMOYZXCC-MRVPVSSYSA-N	311.360	0.171	70	10	DCIE	
O=C(N[C@H]1[C@H]2COC[C@H]21)c1cccc(S(=O)(=O)Cl)c1	2118024579	BMFHHQUCERECQG-JGPRNRPPSA-N	301.751	0.989	70	10	DCIE	
COCCN1CC[C@H](N(C)c2ncc([B-](F)(F)F)cn2)C1	2172772838	SPECNUYXEYXOHR-NSHDSACASA-N	303.117	0.688	70	10	DCIE	
Cc1cccc2[nH]c(CNC(=O)[C@@H](C)NS(C)(=O)=O)nc12	160542804	FNZJDDQFCZCFQL-SECBINFHSA-N	310.379	0.425	70	10	DCIE	
Cc1cc(N)c(C)c(S(=O)(=O)NCCNC(=O)C2CC2)c1	160651333	RYRHOPPYIZGDBT-UHFFFAOYSA-N	311.407	0.690	70	10	DCIE	
CC(C)Cn1ncc(C(=O)N[C@H]2CCC(=O)NC2=O)c1C1CC1	160888140	UYEDHVZMFNVJQI-LBPRGKRZSA-N	318.377	0.952	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)N2C[C@H]3CC[C@@H](N)C[C@H]3C2)C[C@@H](C)O1	218250179	GVSWNLWXEHTVDY-XHJNMGKDSA-N	317.455	0.400	70	10	DCIE	
CS(=O)(=O)N1CC[C@@H](COc2cncc([B-](F)(F)F)c2)C1	691202346	HVVFJGXNTUYDQE-SECBINFHSA-N	323.125	0.796	70	10	DCIE	
CCNC(=O)CS(=O)(=O)Cc1ccc(S(=O)(=O)F)cc1	857251172	GYQVPZOTTOARHC-UHFFFAOYSA-N	323.367	0.396	70	10	DCIE	
O=C(N[C@H]1C[C@@]12CCOC2)c1cc(S(=O)(=O)Cl)c[nH]1	1896356484	BSUADSFKIGUJKJ-GXSJLCMTSA-N	304.755	0.851	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C[C@H]2C=C[C@H]1C2	1974402922	SAFZZVAALSTMAW-JBLDHEPKSA-N	302.371	0.994	70	10	DCIE	
CCC1(S(=O)(=O)N2CCN(S(=O)(=O)F)CC2)CC1	2045267337	GMQGPYGRALQXHN-UHFFFAOYSA-N	300.377	0.091	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1CC[C@]2(CCO2)C1	2153323779	SLLUISOSOMTLAU-LBPRGKRZSA-N	318.782	0.958	70	10	DCIE	
CC(C)n1c([C@@H]2CO[C@H]3COC[C@H]32)nnc1S(=O)(=O)Cl	2158054264	BMTAKXNSOPODLD-YIZRAAEISA-N	321.786	0.915	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@@H]1CCNC1=O	2185182026	IEGSXLPDXURIKT-LURJTMIESA-N	322.730	0.163	70	10	DCIE	
COCCOCCOC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	127599506	KBYDZQLNLATEIP-UHFFFAOYSA-N	311.743	0.762	70	10	DCIE	
COC(=O)Cn1cc(CCOc2nc(C(C)(C)C)no2)nn1	159799018	NFZZNTRSYKACGL-UHFFFAOYSA-N	309.326	0.753	70	10	DCIE	
NCCc1nc(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)cs1	160237912	DCQFDDIOEHYADD-VHSXEESVSA-N	308.407	0.385	70	10	DCIE	
Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)[C@H]1CCO[C@H]1C	160506838	HDCDVJDHWFZRNR-GWCFXTLKSA-N	312.391	0.892	70	10	DCIE	
O=C(N[C@@H]1CCc2ncnn2C1)N1CCC(N2CCCC2)CC1	161225058	HERFRDRNXXFWEY-CYBMUJFWSA-N	318.425	0.863	70	10	DCIE	
C[C@@H](c1ccccc1)N1C[C@H](NC(=O)N2CCNCC2)CC1=O	217283452	DWXBGNLCMOSLEL-DZGCQCFKSA-N	316.405	0.963	70	10	DCIE	
O=[N+]([O-])c1ccc(NC[C@@H](O)CO)c(CS(=O)(=O)F)c1	1651498919	QVSMZSVGLYOAPC-SECBINFHSA-N	308.287	0.159	70	10	DCIE	
CC(C)[C@H](C#N)CS(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	1926329415	WXHWAGCVOOOQBL-NXEZZACHSA-N	312.388	0.486	70	10	DCIE	
CCCn1ccnc1S(=O)(=O)CCS(=O)(=O)Cl	2007982908	HUTVNMCLFKAHDY-UHFFFAOYSA-N	300.789	0.635	70	10	DCIE	
O=S(=O)(N1CCOCC1)N1CCC[C@H]([B-](F)(F)F)C1	2070257593	YJJDUFVFSHLWKW-VIFPVBQESA-N	301.119	0.877	70	10	DCIE	
O=C1CCC(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)CC1	2088471079	DFDHMLQCLSYOJJ-JTQLQIEISA-N	313.372	0.202	70	10	DCIE	
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)F)CC1	2108154308	OUWNVLFQKVDIPF-HTQZYQBOSA-N	300.302	0.636	70	10	DCIE	
CCOCCS(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2110223005	WBPYCYWSASIECZ-UHFFFAOYSA-N	312.344	0.518	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1[C@H]1CC(=O)N(C)C1=O	2152395646	BZHAGUKGXLAQFA-ZETCQYMHSA-N	319.770	0.693	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1Cc1nn(C)cc1[N+](=O)[O-]	2159117509	WOLWZVRZJRNJCR-UHFFFAOYSA-N	319.730	0.809	70	10	DCIE	
Cc1ccccc1S(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2164437284	MQBOOERDMLZESB-UHFFFAOYSA-N	322.383	0.419	70	10	DCIE	
CN(C)S(=O)(=O)[C@H]1CCN(c2ncc([B-](F)(F)F)cn2)C1	2279226268	XJUNGXDXBDDHNY-VIFPVBQESA-N	323.129	0.001	70	10	DCIE	
Cn1nc(Br)nc1COS(=O)(=O)C(F)(F)F	1893828618	YADTVFHSXCPWCP-UHFFFAOYSA-N	324.078	0.944	70	10	DCIE	
Cc1ccn2ncc(C(=O)N3CCS(=O)(=O)C(C)(C)C3)c2n1	160037749	JBQVLZWPWLJTGM-UHFFFAOYSA-N	322.390	0.687	70	10	DCIE	
Cc1cc(C(=O)N2CC(CS(=O)(=O)F)C2)nc(Cl)n1	2134970717	DFALOUFSZZBSLJ-UHFFFAOYSA-N	307.734	0.810	70	10	DCIE	
Cc1ncc(OC[C@H]2CCS(=O)(=O)N2C)cc1[B-](F)(F)F	2148877255	IZGUMWPDLGTTOH-SECBINFHSA-N	323.125	0.857	70	10	DCIE	
O=C(c1ccnc(F)c1F)N1CCN(S(=O)(=O)F)CC1	1974001104	NAQBGUCLDWTCTJ-UHFFFAOYSA-N	309.269	0.332	70	10	DCIE	
O=C([C@H]1COCCC1(F)F)N1CCN(S(=O)(=O)F)CC1	1974014053	DMDXPYFRKLIOKZ-MRVPVSSYSA-N	316.301	0.017	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1Cc1c(C)nn(C)c1Cl	159490867	HCHUZGRDOXOHNS-NSHDSACASA-N	300.790	0.719	70	10	DCIE	
CC(C)(C(=O)N1CC[C@]2(O)CCCC[C@H]2C1)S(C)(=O)=O	160433617	BXHDPULTPRGQPB-SMDDNHRTSA-N	303.424	0.963	70	10	DCIE	
COc1nn(CCOCCC#N)c(OC)c1S(=O)(=O)Cl	2149820434	PZWFFCSNDFJUQD-UHFFFAOYSA-N	323.758	0.758	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@H]1[C@H]2OCC[C@H]12	2176432123	LEWVTQLYBZCHGP-KKZNHRDASA-N	318.782	0.717	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@]2(C)CCOC2)c1S(=O)(=O)Cl	397223131	HOSOLBSXQSWPSK-LLVKDONJSA-N	321.786	0.802	70	10	DCIE	
CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1ncccc1[B-](F)(F)F	2172780006	KNYKWOBJDQYRRU-UWVGGRQHSA-N	323.125	0.384	70	10	DCIE	
Cn1ccc(C(=O)N2CC(CCS(=O)(=O)F)C2)cc1=O	2199692170	HZADWFADNIMHCF-UHFFFAOYSA-N	302.327	0.147	70	10	DCIE	
Cc1nc(Cl)ncc1C(=O)N1CC[C@H](S(=O)(=O)F)C1	2113148217	QEVUOMYMKHIGTB-ZETCQYMHSA-N	307.734	0.952	70	10	DCIE	
C[C@H](CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)C1CC1	2271516538	OABMGKNKHIBMNY-PSASIEDQSA-N	314.404	0.241	70	10	DCIE	
COCCn1c(-c2cc(=O)cc[nH]2)nnc1S(=O)(=O)Cl	2285142469	ZJDWQIXYWUMNPV-UHFFFAOYSA-N	318.742	0.207	70	10	DCIE	
CO[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2287065723	PURATIOJSDLSNX-HBNTYKKESA-N	308.375	0.596	70	10	DCIE	
CN([C@@H]1CCOC1)S(=O)(=O)Cc1ccc(C(N)=S)cc1	159446118	VAPPKNVNTVGXDP-GFCCVEGCSA-N	314.432	0.871	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1Cc1ccc(C(N)=S)cc1F	159818703	CFIMBEJFZGLSEW-LBPRGKRZSA-N	311.382	0.407	70	10	DCIE	
O=S(=O)(c1cccnc1)N1CCN(Cc2cc[nH]n2)CC1	159913787	XUJZJENFBVVRTF-UHFFFAOYSA-N	307.379	0.311	70	10	DCIE	
NC(=O)CONCc1ccc(I)cc1	160333676	JZSVDNLEYWYJLO-UHFFFAOYSA-N	306.103	0.798	70	10	DCIE	
O=C(N[C@H]1CCc2ncnn2C1)N(CCO)Cc1ccccc1	160996425	NIWPUBIWDLMOKD-AWEZNQCLSA-N	315.377	0.797	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CCn1ccccc1=O	215735084	CGSUNRANTYKBBR-UHFFFAOYSA-N	301.755	0.981	70	10	DCIE	
O=C1CN(c2cccc(CS(=O)(=O)Cl)c2)C(=O)CN1	258629895	FYHSBZMKFLWDKG-UHFFFAOYSA-N	302.739	0.218	70	10	DCIE	
COCCn1c(-c2ccc(C)nn2)nnc1S(=O)(=O)Cl	396988874	FPZWDWKISVDHLE-UHFFFAOYSA-N	317.758	0.617	70	10	DCIE	
COc1nn(C)cc1C(=O)Nc1ncc(S(=O)(=O)F)s1	1131810277	JNKPFCHGABCTSK-UHFFFAOYSA-N	320.327	0.796	70	10	DCIE	
CC[C@H]1[C@H](CO)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1348404418	GDNNLSASTMJQAJ-KWQFWETISA-N	304.343	0.906	70	10	DCIE	
O=C(NNc1ncncc1F)c1cc(S(=O)(=O)F)c[nH]1	1468488463	SOCIQHJRIWMKKQ-UHFFFAOYSA-N	303.250	0.359	70	10	DCIE	
CN(CC#N)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1479797250	YLXDXTUDZSRYMJ-UHFFFAOYSA-N	302.331	0.248	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)COC2CCCC2)n1	1923166976	HSBLVFNQGKVECJ-UHFFFAOYSA-N	305.331	0.976	70	10	DCIE	
O=S(=O)(Cl)CCCN1CC[C@H]2CS(=O)(=O)C[C@H]21	1946002551	ZKMBXVKQJFGCDZ-DTWKUNHWSA-N	301.817	0.064	70	10	DCIE	
CC(C)(C)OC(=O)NC[C@@]12CN(S(=O)(=O)F)C[C@@H]1CCO2	1957337311	VAXXGTQQEFVGGF-JOYOIKCWSA-N	324.374	0.816	70	10	DCIE	
CCOC(C)(C)CS(=O)(=O)N1CC(S(=O)(=O)F)C1	2078988359	HJESKCNEKZNZFM-UHFFFAOYSA-N	303.377	0.115	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1	2088471806	KQIRSEKYHBJVNS-JTQLQIEISA-N	308.356	0.534	70	10	DCIE	
C[C@@H]1CN(c2ncc([B-](F)(F)F)cn2)C[C@@H](C)S1(=O)=O	2116144925	LTXOEWZIYHYKGB-HTQZYQBOSA-N	308.114	0.543	70	10	DCIE	
C[C@@]1(C(F)(F)F)C[C@@H]1C(=O)N1CCN(S(=O)(=O)F)CC1	2163652704	QAJGESINRBMXRX-VXNVDRBHSA-N	318.292	0.933	70	10	DCIE	
Cc1nc(N2CCOC[C@H]2CN(C)C)ncc1[B-](F)(F)F	2172773050	VWSDGEBOWYDSEA-SNVBAGLBSA-N	303.117	0.606	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1C[C@H]2CS(=O)(=O)C[C@H]2C1	2172777965	JPUHMJLQCVVQDM-AOOOYVTPSA-N	319.137	0.925	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCC(=O)NC1CC1	2182344972	WPWPCGVXSFLZCE-UHFFFAOYSA-N	321.786	0.626	70	10	DCIE	
O=C(c1ccc([N+](=O)[O-])o1)N1CC(CCS(=O)(=O)F)C1	2199697967	MCEZSJCKAMRDLE-UHFFFAOYSA-N	306.271	0.949	70	10	DCIE	
O=S(=O)(NC1CN(S(=O)(=O)F)C1)[C@@H]1CCCC[C@H]1F	2268783132	TYNTXFXEACRBKS-RKDXNWHRSA-N	318.367	0.085	70	10	DCIE	
CC1(C)CO[C@@H](CC(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2287076416	SARTUBOKMMLVKD-UWVGGRQHSA-N	308.375	0.596	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)CCOCCF)C1	2340024893	MNNZKRZSVCCZIP-VIFPVBQESA-N	321.367	0.066	70	10	DCIE	
CC[C@H](COC)NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	115020978	ZYZDVWPPSRAVSO-SSDOTTSWSA-N	309.775	0.800	70	10	DCIE	
COCCNC(=O)[C@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1	115785343	RJPDAJRSPARQCX-LLVKDONJSA-N	319.766	0.680	70	10	DCIE	
C[C@H]1CN(C(=O)c2ccc3nnn(C)c3c2)CCS1(=O)=O	159699675	BQGLFPONSPLHQO-VIFPVBQESA-N	308.363	0.227	70	10	DCIE	
O=C1CC[C@H]2CN(S(=O)(=O)C3CCOCC3)CC[C@H]2N1	160715652	UQQPNDNEVLNIFS-CMPLNLGQSA-N	302.396	0.096	70	10	DCIE	
C[C@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	163334258	YBDNMHXVNXKEGD-KCJUWKMLSA-N	323.367	0.801	70	10	DCIE	
CNC(=O)CCCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215933544	WZPHIGKWXCFXRP-UHFFFAOYSA-N	310.719	0.245	70	10	DCIE	
CCCN1CCN(CC(=O)NCc2ccccn2)C[C@@H](O)C1	217448119	YCWLNVNOPAHDOF-HNNXBMFYSA-N	306.410	0.086	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1Cc1nnn(C(C)(C)C)n1	690489363	LAKBCZNPCUXPHU-UHFFFAOYSA-N	318.790	0.909	70	10	DCIE	
O=C(Cn1cnnn1)Nc1ccc(S(=O)(=O)F)c(F)c1	1533242762	LGWBLPBFPYNYLR-UHFFFAOYSA-N	303.250	0.109	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@]23CCOC[C@H]2C3)c1S(=O)(=O)Cl	2194418608	BHMOHRMLFRTKME-RDDDGLTNSA-N	319.770	0.554	70	10	DCIE	
O=C([C@@H]1OCC[C@@H]1C(F)(F)F)N1CC[C@@H](S(=O)(=O)F)C1	2240536291	PCZYXNCHVTUERY-GJMOJQLCSA-N	319.276	0.854	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CC[C@H]1C(F)(F)F	2268795896	JLQNOLWFQGYDDF-NKWVEPMBSA-N	304.265	0.590	70	10	DCIE	
COCc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)s1	2342064166	PTBSORRMBXLGBP-UHFFFAOYSA-N	308.356	0.523	70	10	DCIE	
O=C1C[C@@H](Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)CCN1	2165521973	OJSAJTARMOCEHA-LURJTMIESA-N	322.730	0.245	70	10	DCIE	
O=C(N[C@@H]1[C@H]2COC[C@H]21)c1ccc(S(=O)(=O)Cl)cc1	2118027276	ZGEDODAIYVXSCO-URLYPYJESA-N	301.751	0.989	70	10	DCIE	
CCC(=O)N(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1704253883	UXHOOLCQBPGMOQ-UHFFFAOYSA-N	305.331	0.271	70	10	DCIE	
C[C@H](CNCCCF)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1699380308	IGWGBRPHHFEVGZ-MRVPVSSYSA-N	309.338	0.740	70	10	DCIE	
CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC([C@@H](C)O)CC1)CC2	160057070	AOIDNMAGQDOFDB-YPMHNXCESA-N	321.425	0.958	70	10	DCIE	
CN(C[C@@H](O)COc1cccc(C(N)=S)c1)[C@@H]1CCOC1	159506030	VQUHXGFLJOZULS-CHWSQXEVSA-N	310.419	0.781	70	10	DCIE	
CN[C@@H]1CC[C@@H](C)C[C@@H]1CN1CCN(S(C)(=O)=O)CC1	217970453	GUOQODZDXFEZCX-MGPQQGTHSA-N	303.472	0.588	70	10	DCIE	
COc1cc(C(=O)N2CC(CS(=O)(=O)F)C2)cc(C)n1	1968227707	QTYWYEYWLKEGEC-UHFFFAOYSA-N	302.327	0.770	70	10	DCIE	
CO[C@H](C(=O)N1CC(CS(=O)(=O)F)C1)[C@H]1CCCOC1	1968226770	GERZRTOCVSGISS-QWRGUYRKSA-N	309.359	0.186	70	10	DCIE	
Nc1ccc(F)cc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974000618	CUNYOMZFBCMOSD-UHFFFAOYSA-N	305.306	0.380	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2C[C@H]2COC)c1S(=O)(=O)Cl	2174355200	MJJKPGDSIRFYGM-XPUUQOCRSA-N	321.786	0.664	70	10	DCIE	
O=c1nc(COc2c(F)cc(F)cc2S(=O)(=O)F)[nH]o1	2191430920	NJWYGXZYQCSRDN-UHFFFAOYSA-N	310.209	0.878	70	10	DCIE	
CO[C@H]1CC[C@H]1CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2187023777	WWHSMLAGUWRKTP-YUMQZZPRSA-N	322.770	0.692	70	10	DCIE	
C[C@@H](OC(C)(C)C)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2192189035	FKLPLWGBKKOOMN-SSDOTTSWSA-N	307.347	0.642	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ncc(C2CC2)cn1	2081994426	HXAPKXNQFVYCFF-UHFFFAOYSA-N	310.784	0.696	70	10	DCIE	
CCC1(S(=O)(=O)NC2CCN(S(=O)(=O)F)CC2)CC1	2112722821	MWBXKUISVJHZKT-UHFFFAOYSA-N	314.404	0.527	70	10	DCIE	
COCCn1c([C@@H]2C[C@]2(C)COC)nnc1S(=O)(=O)Cl	2284710191	NRSIKPWEFGKYOX-GZMMTYOYSA-N	323.802	0.992	70	10	DCIE	
O=C(Cc1ccccc1O)N[C@H]1CCN(S(=O)(=O)F)C1	2287075494	NHECAVKFYICXGZ-JTQLQIEISA-N	302.327	0.340	70	10	DCIE	
O=c1[nH]c(=O)n(Cc2cccc(F)c2)cc1S(=O)(=O)Cl	112727582	DBHBSBVIQUHRKF-UHFFFAOYSA-N	318.713	0.652	70	10	DCIE	
CCOC(=O)CCCNc1ccc(S(=O)(=O)NC)c(N)c1	159635632	QHTVWFWCLJSHNU-UHFFFAOYSA-N	315.395	0.932	70	10	DCIE	
CC(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)CS(C)(=O)=O	160435516	SDCBRLGJFZYVOX-CHWSQXEVSA-N	304.456	0.904	70	10	DCIE	
CC1(O)CCN(S(=O)(=O)c2ccc(F)c(CN)c2)CC1	160532160	GOOZEGZKMLXTKB-UHFFFAOYSA-N	302.371	0.820	70	10	DCIE	
CCN(CC)C(=O)CN1CCCN(Cc2nccn2C)CC1	160771499	OYTXNOSTWFXFCJ-UHFFFAOYSA-N	307.442	0.796	70	10	DCIE	
O=C(N[C@@H]1CCc2ncnn2C1)N(CCO)Cc1ccccc1	160996312	NIWPUBIWDLMOKD-CQSZACIVSA-N	315.377	0.797	70	10	DCIE	
CN(C)c1cccc(CNC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)n1	161435418	NNPRRRVBUAHSGD-RYUDHWBXSA-N	319.409	0.991	70	10	DCIE	
COCCOCC(=O)NCc1ccc(S(=O)(=O)Cl)cc1	234701380	ZDBUSEDOQZVXMQ-UHFFFAOYSA-N	321.782	0.893	70	10	DCIE	
O=C(NC/C=C\CNCC1CC1)c1cc(S(=O)(=O)F)c[nH]1	1568919876	KEFBZEYBXMMSRU-UPHRSURJSA-N	315.370	0.959	70	10	DCIE	
Cn1nnc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1C(F)F	1585883726	GRKSCNGWHOLZKS-UHFFFAOYSA-N	323.256	0.991	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)C2CC3(CC3)C2)n1	1923155180	AOWHQGZTZQABJB-UHFFFAOYSA-N	323.371	0.763	70	10	DCIE	
COC1(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)CCOCC1	1968235161	ITEVITFAVWHLHW-SNVBAGLBSA-N	309.359	0.472	70	10	DCIE	
CN(C)[C@H]1CC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	2157692540	OZAUZMSHCNNXIW-ZJUUUORDSA-N	319.814	0.775	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CCO[C@H]3C[C@@H]32)cc1	2171916775	IURSPFUVAJWTSI-QWRGUYRKSA-N	321.351	0.507	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CN(c2ccc([B-](F)(F)F)cn2)CCO1	2172780583	SGMIDXYSFGUJKM-JTQLQIEISA-N	323.125	0.386	70	10	DCIE	
COc1ccc(CNC(=O)C2COC2)cc1S(=O)(=O)Cl	2176499457	QMLWGAXLVSRCQT-UHFFFAOYSA-N	319.766	0.885	70	10	DCIE	
CCc1[nH]nc(C(=O)O[C@@H]2CCN(C)C2)c1S(=O)(=O)Cl	2198023418	IHOFZNXDQSGCMB-SSDOTTSWSA-N	321.786	0.761	70	10	DCIE	
CCCCc1nc(S(=O)(=O)Cl)cn1Cc1nc(=O)o[nH]1	2237595514	RGMLKJDNTPSHQI-UHFFFAOYSA-N	320.758	0.878	70	10	DCIE	
COc1cc(F)ccc1C(=O)NC1CN(S(=O)(=O)F)C1	2284151660	STQPFKNQBFBMNV-UHFFFAOYSA-N	306.290	0.463	70	10	DCIE	
CCN(CC)S(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	159393647	OCQFXKXBRCYGBC-NSHDSACASA-N	315.443	0.893	70	10	DCIE	
CC(C)(C)NC(=O)CNC(=O)c1sc2nccnc2c1N	159986989	JEMPSCNSBYLAKZ-UHFFFAOYSA-N	307.379	0.918	70	10	DCIE	
C[C@@H]1OCC[C@H]1N(C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1	160515255	OZGNGRJZSYHNBO-OIBJUYFYSA-N	306.771	0.826	70	10	DCIE	
COCc1nc2n(n1)C[C@H](NC(=O)N1C[C@@H](C)O[C@H](C)C1)CC2	160616226	PGWXQNXWQCBEQS-IJLUTSLNSA-N	323.397	0.558	70	10	DCIE	
Cc1c(C(F)(F)F)cccc1S(=O)(=O)NC[C@@H](O)CO	160913389	BRXCIBHHCQSDJK-MRVPVSSYSA-N	313.297	0.645	70	10	DCIE	
CN(C)CCC1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	161028959	CRKJAGLTZXUNLQ-CQSZACIVSA-N	320.441	0.966	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1[C@@H](C)C(=O)NCCOC	215846223	YPNOMHVFPIRIQC-QMMMGPOBSA-N	323.802	0.697	70	10	DCIE	
COCCn1c([C@]23COC[C@H]2C3)nnc1S(=O)(=O)Cl	689147448	JVDUYHDZBDEUSV-GMSGAONNSA-N	307.759	0.140	70	10	DCIE	
Cn1nnnc1NC(=O)c1ccc(S(=O)(=O)F)cc1Cl	1266635561	KMKRUKANVBGLOP-UHFFFAOYSA-N	319.705	0.774	70	10	DCIE	
COCCn1c(C23CC(CO2)C3)nnc1S(=O)(=O)Cl	1878388341	NPFGLGRXGBYYBG-UHFFFAOYSA-N	307.759	0.488	70	10	DCIE	
C[C@H](C(=O)NC1CCN(S(=O)(=O)F)CC1)[C@@H]1CCCO1	1974394968	SCYRDQYJVBXNTB-ONGXEEELSA-N	308.375	0.596	70	10	DCIE	
CCO[C@H]1C[C@@H](NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	2145707192	ZFQGNFDQYFGMNS-OCAPTIKFSA-N	321.786	0.943	70	10	DCIE	
O=C([C@H]1CCn2ccnc2C1)N1CC[C@@H](S(=O)(=O)F)C1	2165275995	QRAJRUOEJUULFE-VHSXEESVSA-N	301.343	0.346	70	10	DCIE	
CN1CCC[C@]1(C)C(=O)NC1CCN(S(=O)(=O)F)CC1	2169022882	GBUVGCQSBONPHW-GFCCVEGCSA-N	307.391	0.266	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2COC3CC2C3)c1S(=O)(=O)Cl	2183067344	LCJSFKJZFYZZMQ-KAVNDROISA-N	319.770	0.553	70	10	DCIE	
CS(=O)(=O)N1CCC[C@@H](OS(=O)(=O)C(F)(F)F)C1	2241692886	NVFNKSUWUXYKGE-ZCFIWIBFSA-N	311.303	0.277	70	10	DCIE	
C[C@@H]1CCCC[C@@H]1S(=O)(=O)NC1CN(S(=O)(=O)F)C1	2268776960	BSUNICAHPBYQBE-SCZZXKLOSA-N	314.404	0.383	70	10	DCIE	
CNC(=O)[C@@H]1CNCCN1c1cnn(C(C)C)c(=O)c1Cl	159633818	GXDVMWYNVBMGRV-JTQLQIEISA-N	313.789	0.002	70	10	DCIE	
CNC(=O)c1cncc(/C=C/C(=O)N2C[C@@H]3CCC[C@H](C2)N3)c1	159976085	VUUATALKMJNSSQ-FKZIUMHTSA-N	314.389	0.807	70	10	DCIE	
C[C@H](CNS(=O)(=O)N1CCC[C@H](C)C1)CN1CCOCC1	160388871	CQXHVLDIQKLNLC-UONOGXRCSA-N	319.471	0.521	70	10	DCIE	
CO[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	230375128	XAODJLKBLAHJHR-MRVPVSSYSA-N	321.786	0.897	70	10	DCIE	
CCC[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)C(N)=O	1271906294	PSPRHVCBVCRWTF-JTQLQIEISA-N	302.327	0.729	70	10	DCIE	
CC(C)c1c[nH]nc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974055334	PRLDPEZZEBWOGJ-UHFFFAOYSA-N	304.347	0.409	70	10	DCIE	
CCn1c([C@@H]2CN(C)CCN2C)nnc1S(=O)(=O)Cl	2099567318	YRAMENDUJDJJCO-QMMMGPOBSA-N	307.807	0.144	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)CCc2ccncc2)C1	2144734232	YMURLJGSYHWJCE-NSHDSACASA-N	322.383	0.328	70	10	DCIE	
Nc1ccc(F)cc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287064638	FGBCRGKVPRLLAW-MRVPVSSYSA-N	305.306	0.426	70	10	DCIE	
CO[C@]1(C(F)F)C[C@H](C(=O)N2CC(S(=O)(=O)F)C2)C1	2343092125	XFXDSNYTMCNLQD-XGAOUMNUSA-N	301.286	0.557	70	10	DCIE	
NCCC1CCN(c2cnn(CCO)c(=O)c2Cl)CC1	159533886	KNMAELAFPDQFKA-UHFFFAOYSA-N	300.790	0.454	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccccc2CN)CCOC1	160169364	YYWBCDNITZZMJI-ZDUSSCGKSA-N	300.380	0.229	70	10	DCIE	
Nc1n[nH]cc1S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	160343496	WZQXXVZQUKHIFA-BXKDBHETSA-N	300.384	0.308	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1CC(=O)NCCC#N	215764616	MUOCXGMWJDTVDY-UHFFFAOYSA-N	318.786	0.793	70	10	DCIE	
O=S(=O)(Nc1cnn(CC2CCOCC2)c1)c1cnc[nH]1	218246410	WKGOCMJDTHEDCO-UHFFFAOYSA-N	311.367	0.834	70	10	DCIE	
O=C(CCc1ccccc1)NC[C@H](O)Cn1ccccc1=O	218418840	BWGFAMLPMSPSIJ-HNNXBMFYSA-N	300.358	0.958	70	10	DCIE	
CCCS(=O)(=O)CCn1cc(S(=O)(=O)Cl)cn1	233267216	ZZHLWMUQSDHVSE-UHFFFAOYSA-N	300.789	0.635	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1Cc1nncn1C	383542291	QDCPXFGWYYSXBN-UHFFFAOYSA-N	320.718	0.204	70	10	DCIE	
Cc1nc(C)c(S(=O)(=O)CCS(=O)(=O)Cl)nc1C	396882069	PMXMGNUKWOIKBY-UHFFFAOYSA-N	312.800	0.744	70	10	DCIE	
Cn1cc(Cl)c(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)n1	1923173410	GYANFLZLNSHDJY-UHFFFAOYSA-N	321.721	0.139	70	10	DCIE	
O=C(CCc1cn[nH]c1)NC1CCN(S(=O)(=O)F)CC1	1974394836	QFFAIIFEBDDXGM-UHFFFAOYSA-N	304.347	0.137	70	10	DCIE	
CN(CC(C)(C)S(C)(=O)=O)c1ncc([B-](F)(F)F)cn1	2116140107	IPWXPPPJTHXIEL-UHFFFAOYSA-N	310.130	0.790	70	10	DCIE	
CCN1CC[C@@H](n2cc(S(=O)(=O)Cl)nc2COC)C1=O	2182342978	FHKGJVSIOUZSJM-MRVPVSSYSA-N	321.786	0.750	70	10	DCIE	
COCCn1c(C[C@@H]2CC[C@@H]2OC)nnc1S(=O)(=O)Cl	2186906901	HXOHWBTZKOIMSS-IUCAKERBSA-N	323.802	0.820	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C[C@@H]2C2CCC2)[nH]1	2199944332	ZKXZEVXAXBXQIY-BDAKNGLRSA-N	301.343	0.875	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cc2c(s1)CCOC2	2284150182	IOPHDAGEAJVUMN-UHFFFAOYSA-N	320.367	0.449	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1COCCC1(F)F	2287067006	DOWJZSUGOYQOCS-YUMQZZPRSA-N	316.301	0.063	70	10	DCIE	
Cc1nc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)ccc1[B-](F)(F)F	2336406497	XQKVNWRQTNPZCJ-PSASIEDQSA-N	305.110	0.678	70	10	DCIE	
O=C(N1CC(CS(=O)(=O)F)C1)[C@]1(O)C[C@H]1C(F)(F)F	2344048865	UJTQPPKGJMSOET-SVRRBLITSA-N	305.249	0.057	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1c1cc(C)nc(C)c1C(N)=S	159797606	RQAJABPRRMTULH-NSHDSACASA-N	308.407	0.284	70	10	DCIE	
CCC(N)(CC)CNc1cnn(CC(=O)OC)c(=O)c1Cl	159885720	FFNYFFYCXKLCIX-UHFFFAOYSA-N	316.789	0.999	70	10	DCIE	
O=S(=O)(C[C@@H]1CCCNC1)N1CC[C@]2(O)CCCC[C@H]2C1	160800810	SEPNISWPEAOJRW-QLFBSQMISA-N	316.467	0.943	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ccccc2F)[nH]1	1923173255	GJMUHEAZYGGEDZ-UHFFFAOYSA-N	301.274	0.892	70	10	DCIE	
CNC(=O)[C@H](C)n1nc(OC)c(S(=O)(=O)Cl)c1OC	2093416437	ZKDCTKVRTDTCCH-YFKPBYRVSA-N	311.747	0.135	70	10	DCIE	
C[C@H]1CCO[C@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2096143715	RDLMOIWXQLMQJQ-BQBZGAKWSA-N	308.743	0.301	70	10	DCIE	
O=S(=O)(Cl)c1nnc([C@@H]2CO[C@@H]3COC[C@H]32)n1C1CC1	2158057378	OIVNWEMFZQTECF-DJLDLDEBSA-N	319.770	0.669	70	10	DCIE	
COCCn1c(C[C@H]2CO[C@H](C)C2)nnc1S(=O)(=O)Cl	2159411032	HHRRWYRVMWSLSR-BDAKNGLRSA-N	323.802	0.820	70	10	DCIE	
O=C([C@@H]1CCc2c[nH]nc2C1)N1CC(CS(=O)(=O)F)C1	2199682070	CRFWEMXDMQVESP-SECBINFHSA-N	301.343	0.272	70	10	DCIE	
O=c1[nH]c(=O)n(C[C@H]2CCCCO2)cc1S(=O)(=O)Cl	112727601	WYPWFZXQKLATOQ-SSDOTTSWSA-N	308.743	0.033	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N2CCNC(=O)[C@H]2C)c1F	159521580	XFHVIVMOPVQWGE-MRVPVSSYSA-N	301.343	0.225	70	10	DCIE	
CN(C)CCn1ncc(N[C@@H]2CCC[C@@H]2CN)c(Cl)c1=O	159637881	HIMOFKGQIXIYHY-GHMZBOCLSA-N	313.833	0.998	70	10	DCIE	
COCCn1c(CC2(OC)CCC2)nnc1S(=O)(=O)Cl	234666945	JBLRILGTGOCGMY-UHFFFAOYSA-N	323.802	0.964	70	10	DCIE	
Cn1nnc(COc2ccc(S(=O)(=O)Cl)cc2F)n1	236107902	HVAVKIGHOZERLP-UHFFFAOYSA-N	306.706	0.856	70	10	DCIE	
CC(C)O[C@@H]1CS(=O)(=O)C[C@@H]1C1(S(=O)(=O)Cl)CC1	711274273	HOXNQZFVVSDKKU-DTWKUNHWSA-N	316.828	0.926	70	10	DCIE	
CCC(=O)NC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1358581341	GXLIPYTWIZTKJH-MRVPVSSYSA-N	317.342	0.414	70	10	DCIE	
COc1cc(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)sn1	1923167946	RSEIBOFWFIUZEO-UHFFFAOYSA-N	320.327	0.218	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ccc(F)cc2)[nH]1	1923172617	AKORCNABLKCBOU-UHFFFAOYSA-N	301.274	0.892	70	10	DCIE	
CS(=O)(=O)CCOC[C@H](CS(=O)(=O)Cl)C1CC1	2015764260	CFPQYYPWGYJCGM-SECBINFHSA-N	304.817	0.642	70	10	DCIE	
COC(=O)NS(=O)(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2073787207	NXXVAZHKZVTUHL-SVRRBLITSA-N	301.075	0.901	70	10	DCIE	
CCn1c([C@@H](OC)[C@@H]2CCOC2)nnc1S(=O)(=O)Cl	2093879362	OBAHBFITZSWRGK-SFYZADRCSA-N	309.775	0.950	70	10	DCIE	
Cc1oc(C(=O)N[C@@H]2[C@H]3COC[C@H]32)cc1S(=O)(=O)Cl	2118024346	YROYDURYDPRMHJ-MTBHXBHISA-N	305.739	0.890	70	10	DCIE	
Cc1cc(N2CC(N3CCOCC3)C2)ncc1[B-](F)(F)F	2172778122	LIBBRPCUWFUPNF-UHFFFAOYSA-N	300.113	0.965	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@]1(F)CCOC1	2229927614	UVWAMFYLQXCFTJ-VIFPVBQESA-N	312.706	0.005	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)C1CC(Br)C1	2243727259	HUKSETCNBQDXGD-UHFFFAOYSA-N	315.164	0.175	70	10	DCIE	
C[C@]1(C(F)F)C[C@H]1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271484570	FDYHHHLQFVNINO-BYULHYEWSA-N	300.302	0.683	70	10	DCIE	
Nc1cc(Cl)ccc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287064620	DZTIZQCJCLUSNK-QMMMGPOBSA-N	321.761	0.941	70	10	DCIE	
COc1cc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)ccn1	2287079586	MUVCXSLEBPIAJB-VIFPVBQESA-N	303.315	0.109	70	10	DCIE	
COc1cc(C(=O)NC2CN(S(=O)(=O)F)C2)cc(Cl)n1	2295598465	HTHFCRXMLBWOIJ-UHFFFAOYSA-N	323.733	0.372	70	10	DCIE	
CS(=O)(=O)CCS(=O)(=O)N1CC[C@@H]([B-](F)(F)F)C1	2303113139	YLQCVKYPBUIXCI-SSDOTTSWSA-N	308.132	0.284	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F	2359394026	BLHDBFLVNABLNJ-ZQARSLAVSA-N	312.313	0.683	70	10	DCIE	
CCOC(=O)N(CCN)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1	217289325	CBNFOMZDYCGZGS-SNVBAGLBSA-N	300.359	0.123	70	10	DCIE	
COC(=O)[C@@H](CC(C)C)NS(=O)(=O)N1C[C@H](C)O[C@H](C)C1	217806962	ABFWKTQLDXUCQT-GRYCIOLGSA-N	322.427	0.518	70	10	DCIE	
Cc1nc(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)co1	723669303	MJMFSTXYUHWCEO-UHFFFAOYSA-N	305.699	0.221	70	10	DCIE	
COc1ccc(CC(=O)NC[C@H]2C[C@H]2C)cc1S(N)(=O)=O	160321099	QPYICIJKRWFRCC-MWLCHTKSSA-N	312.391	0.657	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N(C)CC(=O)NC(C)C)c1F	159487839	PSBIKXVOURFMRV-UHFFFAOYSA-N	317.386	0.861	70	10	DCIE	
CC(C)(C)c1nnsc1C(=O)N1CC(S(=O)(=O)F)C1	2134982503	SRBBKYCNYZGTOB-UHFFFAOYSA-N	307.372	0.959	70	10	DCIE	
Cc1ccc(C(=O)N2CCN(S(=O)(=O)F)CC2)c(O)c1	1974000903	IYUQMJUJEBZZFX-UHFFFAOYSA-N	302.327	0.673	70	10	DCIE	
COCCn1ncc(N(C)CC(C)(C)CN)c(Cl)c1=O	159773339	OFNWIKBLPGFJOP-UHFFFAOYSA-N	302.806	0.964	70	10	DCIE	
C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)C1	2088469677	PNGPDBXJSUSVBU-ZJUUUORDSA-N	314.404	0.337	70	10	DCIE	
COCC[C@@H](C)NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	115021050	DOOIVTGLNGNUNM-ZCFIWIBFSA-N	309.775	0.800	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1C(=O)c1ccc(Cl)nn1	159519537	NXSVWYYCUVWDOX-SNVBAGLBSA-N	312.757	0.496	70	10	DCIE	
CCN(c1cnn(CCO)c(=O)c1Cl)[C@H]1CCC[C@@H]1CN	159673492	ACBMYMTXFLGCBZ-MNOVXSKESA-N	314.817	0.843	70	10	DCIE	
O=C(NC1(CO)CC1)c1cc(I)c[nH]1	160182150	HQDPYVXKRYZPLE-UHFFFAOYSA-N	306.103	0.874	70	10	DCIE	
NCc1ccccc1CS(=O)(=O)NCCNC(=O)C1CC1	160723196	CPMQUXPBMNLBTN-UHFFFAOYSA-N	311.407	0.091	70	10	DCIE	
Cc1ccc(CN)cc1S(=O)(=O)NCCNC(=O)C1CC1	160724139	YYGBIMQLGAXSQL-UHFFFAOYSA-N	311.407	0.258	70	10	DCIE	
COC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1	160992447	UQBWDLJBVVWBFS-MNOVXSKESA-N	307.354	0.188	70	10	DCIE	
COCCCNC(=O)[C@@H](C)n1cc(S(=O)(=O)Cl)cn1	215692956	PTLCFZVNCFBGOO-MRVPVSSYSA-N	309.775	0.524	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CC(=O)N[C@H](C)COC	215803809	WQEHRXNONNXAHI-MRVPVSSYSA-N	323.802	0.524	70	10	DCIE	
CCN1CCC[C@H]1CNS(=O)(=O)N1CCCC[C@@H]1CN	217566327	XGXFDCKDFGFNSH-OLZOCXBDSA-N	304.460	0.118	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CCO[C@H](C)C2)c1S(=O)(=O)Cl	235449544	DWPQJFWEWKFEGX-HTRCEHHLSA-N	321.786	0.943	70	10	DCIE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	1974055658	ULMRUKMSYVCNST-HKWIRBFKSA-N	304.387	0.931	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1[C@H]1CC(=O)N(C)C1=O	2096085057	YKSUCXIRAKHOPS-LURJTMIESA-N	305.743	0.303	70	10	DCIE	
O=C(c1cc(O)nc(O)c1)N1CCC[C@H](S(=O)(=O)F)C1	2144731974	AEZJYMGWCFYHMP-QMMMGPOBSA-N	304.299	0.397	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)n1	2172765926	YKCQLCAVCXNUBY-DTORHVGOSA-N	320.125	0.320	70	10	DCIE	
CN(C[C@@H]1CO[C@@H]2COC[C@H]21)c1ncc([B-](F)(F)F)cn1	2172784679	FTJKEWUOXHLWOC-DVVUODLYSA-N	302.085	0.629	70	10	DCIE	
CCC[C@@H](COC)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2193445905	NULCYOVPCJBREX-QMMMGPOBSA-N	307.347	0.501	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)C[C@H]1C[C@H](S(C)(=O)=O)C1	2257571213	HQPCBRQXFWFEDZ-MGCOHNPYSA-N	317.860	0.700	70	10	DCIE	
C[C@@]1(C(=O)NC2CN(S(=O)(=O)F)C2)C[C@@H]1C(F)(F)F	2268803447	GCGBAYYJQNMYOS-POYBYMJQSA-N	304.265	0.590	70	10	DCIE	
O=C(COCc1ccccc1)NC[C@@H](O)Cn1ccccc1=O	218449219	RJFPZHKNEVOSCD-OAHLLOKOSA-N	316.357	0.542	70	10	DCIE	
CCc1nc2c(N3CCn4nc(CO)cc4C3)ncnc2o1	217665873	YSXWBKUOJLVWDA-UHFFFAOYSA-N	300.322	0.889	70	10	DCIE	
Cc1nc(Br)cc(NCCCS(N)(=O)=O)n1	160656366	JHUUXDCQYKPODR-UHFFFAOYSA-N	309.189	0.638	70	10	DCIE	
CCc1nn(Cc2nnn(C)n2)c(CC)c1S(=O)(=O)Cl	234179162	MYGCCHRXGPPWHF-UHFFFAOYSA-N	318.790	0.507	70	10	DCIE	
CCC(=O)N[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1495081456	DZNGOBBTSGUNQQ-ZETCQYMHSA-N	305.331	0.317	70	10	DCIE	
CC[C@@H](CNC(C)=O)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1688716077	COVJYKBUSVCWGC-QMMMGPOBSA-N	305.331	0.317	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1	163330288	FFDMSJGPVZUWSH-QMMMGPOBSA-N	309.340	0.412	70	10	DCIE	
C=CCN(CC=C)S(=O)(=O)N1CC(CS(=O)(=O)F)C1	2134974932	LZBFILGHCULKTO-UHFFFAOYSA-N	312.388	0.136	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cc(C2CC2)on1	1974057804	ACWWWRZOYNGLER-UHFFFAOYSA-N	303.315	0.428	70	10	DCIE	
CN(C1C[C@@H]2CCC[C@H](C1)S2(=O)=O)S(=O)(=O)Cl	2013498572	WJQXUPDNDWOVAZ-CBLAIPOGSA-N	301.817	0.900	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(OCCCN2CCOCC2)n1	2175866957	YKHMQYNNWYBAPP-UHFFFAOYSA-N	304.101	0.941	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@]23COC[C@@H]2C3)c1S(=O)(=O)Cl	718099668	PBWLCSMBARKOOV-KGFZYKRKSA-N	319.770	0.418	70	10	DCIE	
CO[C@@H]1COC[C@@H]1NC(=O)c1cccc(S(=O)(=O)Cl)c1	2177286530	ZJKZJCAPOXQIJA-WDEREUQCSA-N	319.766	0.758	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1[C@H]2CCC[C@H]21	2111040023	BASGSGKLDFCXMI-RNLVFQAGSA-N	304.755	0.923	70	10	DCIE	
O=C([C@@H]1CC[C@H]1C(F)(F)F)N1CCN(S(=O)(=O)F)CC1	2232577735	RDALVBCLTWOGJZ-HTQZYQBOSA-N	318.292	0.933	70	10	DCIE	
COCCn1c(-c2nccnc2C)nnc1S(=O)(=O)Cl	2280293148	FSCDZSUCAIJRCQ-UHFFFAOYSA-N	317.758	0.617	70	10	DCIE	
O=C(CC[C@@H]1CCCCO1)N[C@@H]1CCN(S(=O)(=O)F)C1	2287077636	WZUXFAODCMVQIF-MNOVXSKESA-N	308.375	0.741	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@]12CCC[C@H]1OCC2	2287075130	LIGJAENKMVXHHE-FOGDFJRCSA-N	306.359	0.350	70	10	DCIE	
COCC(COC)S(=O)(=O)N1CC[C@H]([B-](F)(F)F)C1	2319681678	CAULUYZFDYZAJF-QMMMGPOBSA-N	304.119	0.901	70	10	DCIE	
C[C@]1(COCCOCCS(=O)(=O)Cl)COCCO1	2222036780	QFFHNSVQHDOUQA-JTQLQIEISA-N	302.776	0.394	70	10	DCIE	
C[C@@]1(n2nnnc2-c2ccc(F)cc2N)CCS(=O)(=O)C1	160012245	AONWKFOLJDXMEG-GFCCVEGCSA-N	311.342	0.595	70	10	DCIE	
CNC[C@@H]1CCCN1c1cnn(CC(=O)OC)c(=O)c1Cl	159956988	XIHWZEHFFAPYLX-VIFPVBQESA-N	314.773	0.258	70	10	DCIE	
CC(=O)N[C@@H](C(=O)N1CCC[C@@H](S(=O)(=O)F)C1)C(C)C	1968227667	QFOJEHVZDAWEEU-GHMZBOCLSA-N	308.375	0.437	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(C)CCCN(C)C)cc1N	159626443	BFHSIBLLDWPRAO-UHFFFAOYSA-N	300.428	0.565	70	10	DCIE	
CC(C)[C@H](COCCS(C)(=O)=O)CS(=O)(=O)Cl	2015766271	MODGRQJBYRKWKN-SECBINFHSA-N	306.833	0.888	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCO[C@@H]([C@@H]2CCOC2)C1	2172775571	DOXYZTABXKKWAS-MWLCHTKSSA-N	302.085	0.773	70	10	DCIE	
O=S(=O)(Cl)c1nnc(C23CCN(CC2)C3)n1C1CC1	715852901	FUNLTAUBGYUASM-UHFFFAOYSA-N	302.787	0.888	70	10	DCIE	
Cc1n[nH]cc1S(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2088472947	VYEVNRGJWGXCJP-MRVPVSSYSA-N	311.360	0.171	70	10	DCIE	
CC(C)n1c(-c2c[nH]c(=O)cn2)nnc1S(=O)(=O)Cl	2110823632	BCKNITMCESBZQD-UHFFFAOYSA-N	303.731	0.537	70	10	DCIE	
Cc1ncc([B-](F)(F)F)cc1OCCN(C)S(C)(=O)=O	2265169435	AHAIARNKNCDYSM-UHFFFAOYSA-N	311.114	0.715	70	10	DCIE	
COCCCN(C)C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	115020737	LLXAICJDNIBYEL-UHFFFAOYSA-N	309.775	0.754	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ccc2c(n1)CCC2	127640497	OJRKKSYOEQIZEP-UHFFFAOYSA-N	309.796	0.913	70	10	DCIE	
CNC(=O)c1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1	161051480	JLXYFJGCTYCWBP-LBPRGKRZSA-N	314.349	0.774	70	10	DCIE	
CC1CCN(CC(=O)NC2CCC(C(=O)NC(N)=O)CC2)CC1	160737533	FELGGBUYWJQWKR-UHFFFAOYSA-N	324.425	0.588	70	10	DCIE	
Cc1nc(N)sc1C(=O)N1CCOC[C@H]1C(=O)NC1CC1	159645256	NJOLITHOTOGFOW-VIFPVBQESA-N	310.379	0.153	70	10	DCIE	
COCCC[C@@H](N)CN1CCn2c(nnc2C(F)(F)F)C1	159512983	RRWUMKSUXDNNTI-SECBINFHSA-N	307.320	0.866	70	10	DCIE	
CCCNCCCN(C)S(=O)(=O)NCc1ccccn1	217375217	BLWKNIHYPUSNIP-UHFFFAOYSA-N	300.428	0.738	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)CCn2ccnc2)n1	1923174374	SHVAWDDMEJXPJE-UHFFFAOYSA-N	301.303	0.304	70	10	DCIE	
CCCc1c(-c2nc(S(=O)(=O)Cl)n[nH]2)nnn1CC	1923536056	NZANIDGETMPQNV-UHFFFAOYSA-N	304.763	0.963	70	10	DCIE	
Cc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)nnc1C	1973214013	LOMVPDXEZUADLT-SNVBAGLBSA-N	301.343	0.997	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NCC(=O)NC2CC2)c1F	159469257	REICXGLFYYZAGQ-UHFFFAOYSA-N	301.343	0.273	70	10	DCIE	
Cc1nc(N)sc1S(=O)(=O)NC[C@H](C)N1CCCC1	161300520	PFHZCSIPYNOWSD-QMMMGPOBSA-N	304.441	0.796	70	10	DCIE	
CO[C@@H]1CC[C@H]1CC(=O)NC1CCN(S(=O)(=O)F)CC1	2186907431	LGVSSGLUBSTWGP-GXSJLCMTSA-N	308.375	0.596	70	10	DCIE	
Cc1ccc(O[C@H]2CC(=O)N(C)C2=O)c(S(=O)(=O)F)c1	2191423159	CQUPKPIRVJOYQF-VIFPVBQESA-N	301.295	0.789	70	10	DCIE	
C[C@@H](Oc1c(F)cc([N+](=O)[O-])cc1S(=O)(=O)F)C(N)=O	2191425622	GPFRMCWTYZSZRD-SCSAIBSYSA-N	310.234	0.645	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccc([N+](=O)[O-])s1	2287076729	TURUQICWTZVYMX-LURJTMIESA-N	323.327	0.675	70	10	DCIE	
CCCOC(=O)[C@H](C)N1CCN(c2nccc(OC)n2)CC1	159527806	LMOBEFJULMBVRD-LBPRGKRZSA-N	308.382	0.949	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1C(=O)[C@@](C)(CC)C(N)=S	159772808	FVCKWXOZTOQLDM-ZANVPECISA-N	301.412	0.052	70	10	DCIE	
CN(C)C(=O)NCCN[C@@H]1CCS(=O)(=O)c2ccccc21	160750593	OYWPKQZISAMWKH-GFCCVEGCSA-N	311.407	0.766	70	10	DCIE	
CN(CC1(O)CCOCC1)c1ccc(S(C)(=O)=O)cc1N	161119580	UMQPAIPCPKTKJN-UHFFFAOYSA-N	314.407	0.650	70	10	DCIE	
CCc1[nH]nc(C(=O)N(C)[C@@H]2CCOC2)c1S(=O)(=O)Cl	161840137	ZHWKYCXPGFHKID-SSDOTTSWSA-N	321.786	0.761	70	10	DCIE	
C[C@@H](NC(=O)NC(=O)C1CCNCC1)Oc1ccc(O)cc1	217278008	NCNGWOQZZVQLEV-JTQLQIEISA-N	307.350	0.942	70	10	DCIE	
COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1ccc(S(=O)(=O)F)cc1	894993193	VUEPQJQDYMVPPM-MWLCHTKSSA-N	315.322	0.884	70	10	DCIE	
COc1ccc(C(=O)Nc2ncc(S(=O)(=O)F)s2)nn1	1623768396	DJUQRFLHXIPMJC-UHFFFAOYSA-N	318.311	0.852	70	10	DCIE	
CC[C@@H]1CC[C@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)O1	1974394468	JNDLSFDSOHOLTA-GHMZBOCLSA-N	308.375	0.739	70	10	DCIE	
Cc1csc(=O)n1CC(=O)N1CCC[C@H](S(=O)(=O)F)C1	2144733484	QJWMOIAZVNTORP-VIFPVBQESA-N	322.383	0.509	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2C[C@H]3COC[C@@H]32)cc1	2186344198	DMXZLJUAKMEWGD-KWQFWETISA-N	321.351	0.364	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC12CCOCC2	2287075483	DDSPQIXOWHJRPW-UWVGGRQHSA-N	306.359	0.208	70	10	DCIE	
COc1ccc(CNS(C)(=O)=O)cc1S(=O)(=O)Cl	100588818	JRNSKEBIJSCJJN-UHFFFAOYSA-N	313.784	0.672	70	10	DCIE	
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H]1C(=O)NC	159715457	KEPIVNCWMODPOL-QWRGUYRKSA-N	320.397	0.595	70	10	DCIE	
CC(C)OCCNC(=O)c1cc(N)cc(S(C)(=O)=O)c1	159813430	HNOIFQVDWRCMCI-UHFFFAOYSA-N	300.380	0.827	70	10	DCIE	
CC(C)CCC(=O)NCC(=O)N1CCS(=O)(=O)C(C)(C)C1	160191137	ZPGAIJQLHFFHOR-UHFFFAOYSA-N	318.439	0.574	70	10	DCIE	
CO[C@]1(CNC(=O)[C@H](C(N)=S)c2ccccc2)CCOC1	160494844	ANFKMDQSIIBOAK-WFASDCNBSA-N	308.403	0.978	70	10	DCIE	
O=S(=O)(CCCF)N1CCC(c2ccnn2CCO)CC1	160795100	YCYCDVJOKACDEN-UHFFFAOYSA-N	319.402	0.744	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1cc(N)cs1	161030864	AQAJTCKFSIWKJA-UHFFFAOYSA-N	306.409	0.492	70	10	DCIE	
CCN[C@H](CCN1CCS(=O)(=O)CC1)c1ccc(F)cn1	161237886	OYWPKBMSCZDQLW-CQSZACIVSA-N	315.414	0.992	70	10	DCIE	
CCN(CCNCc1ccc(S(=O)(=O)NC)o1)C1CC1	217414895	SWUUGAWBPMCBHL-UHFFFAOYSA-N	301.412	0.762	70	10	DCIE	
O=c1ccc(-c2nnc(S(=O)(=O)Cl)n2C2CC2)c[nH]1	236027579	SRTPDWTUWWLBRO-UHFFFAOYSA-N	300.727	0.896	70	10	DCIE	
Cn1nnc(COc2ccc(F)cc2S(=O)(=O)Cl)n1	236107402	CZXHIEQUXPBSNR-UHFFFAOYSA-N	306.706	0.856	70	10	DCIE	
CC(=O)NC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1358694410	COVCJJUWDLPSOY-UHFFFAOYSA-N	303.315	0.071	70	10	DCIE	
COC(=O)[C@@H]1C[C@@H](S(=O)(=O)F)CN1C(=O)OC(C)(C)C	1887435005	NMZUVQOIUHMLEK-SFYZADRCSA-N	311.331	0.837	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)[C@@H]2CCC[C@@H]2F)CC1	2118899917	XTAXKTZSTNZWNM-VHSXEESVSA-N	317.379	0.971	70	10	DCIE	
Cc1cc(C)c(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)c(O)n1	2144732557	HEEMGNFGXCQBLT-SECBINFHSA-N	302.327	0.918	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N(C1CC1)C1COC1	2161399125	HXOYJTJAYAFCRT-UHFFFAOYSA-N	318.782	0.956	70	10	DCIE	
O=C(c1ccc(O)c(O)c1)N1CCN(S(=O)(=O)F)CC1	2163655495	NJTQJNOSIIOERA-UHFFFAOYSA-N	304.299	0.070	70	10	DCIE	
CC(C)(C(=O)Nc1ccc(S(=O)(=O)F)nc1)S(C)(=O)=O	2166533624	QFSPMZQFRCEHHH-UHFFFAOYSA-N	324.355	0.502	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCC[C@H](S(C)(=O)=O)C2)n1	2172767326	SIXXKRBDKBVFQH-VIFPVBQESA-N	322.141	0.853	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC2(CCC2)CO1	2287071319	IIEVQGKELWBKPK-UWVGGRQHSA-N	306.359	0.350	70	10	DCIE	
COCCn1c([C@H]2[C@@H]3CCOC[C@@H]32)nnc1S(=O)(=O)Cl	2355949159	VACDMRUGLYLOSP-VGMNWLOBSA-N	321.786	0.602	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1[C@@H]2CCOC[C@@H]21	2355965657	RDDCXYLYAZIUML-FXQIFTODSA-N	320.754	0.159	70	10	DCIE	
COC[C@H](C)CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	115020032	VNWHUWFJNIXUHD-ZCFIWIBFSA-N	309.775	0.658	70	10	DCIE	
CCOCCNC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1321652757	PNZMIXVRUJVVNB-SECBINFHSA-N	321.374	0.417	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)[C@@H]1CCCS(=O)(=O)CC1	694192987	GYFNTDZURNGYKQ-SNVBAGLBSA-N	317.860	0.844	70	10	DCIE	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1ncc([B-](F)(F)F)cn1	2116149010	XRNZLYPYYZNMOL-HTQZYQBOSA-N	310.130	0.789	70	10	DCIE	
CCN(CC#N)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1731317881	QQHMRVXXMHCZJE-UHFFFAOYSA-N	316.358	0.638	70	10	DCIE	
O=C(NC[C@H](O)c1cccc(F)c1)N[C@@H]1CCc2ncnn2C1	161024461	GXUHUEHWFVMXLF-OLZOCXBDSA-N	319.340	0.765	70	10	DCIE	
O=C(N[C@@H](CO)Cc1ccccc1)N[C@@H]1CCc2ncnn2C1	160941115	XVZAPCQMTXLRQX-ZIAGYGMSSA-N	315.377	0.496	70	10	DCIE	
CC(C)N(C)S(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	1923190606	CHBBJXIOCVVDTN-UHFFFAOYSA-N	314.364	0.075	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C(F)(F)C23CC3)[nH]1	1923173111	DUWBUQIIEGPXJJ-ZCFIWIBFSA-N	309.269	0.484	70	10	DCIE	
CN1CCC(C)(C(=O)N2CCN(S(=O)(=O)F)CC2)CC1	1974001678	YQIDDHPWXBLQPC-UHFFFAOYSA-N	307.391	0.077	70	10	DCIE	
Nc1ncc(S(=O)(=O)NCCNC(=O)C2CC2)cc1Cl	160964272	WEUADZADDWIFHC-UHFFFAOYSA-N	318.786	0.122	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1CCCCC(N)=O	312310028	ZEQFSRSSJIIOTH-UHFFFAOYSA-N	324.746	0.683	70	10	DCIE	
O=S(=O)(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccccc1	2271513071	GNDZKOUPBJUZQC-SECBINFHSA-N	308.356	0.254	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)[C@H]2CCS(=O)(=O)C2)n1	2280641620	PWDBICJHHHKBJX-QMMMGPOBSA-N	323.125	0.768	70	10	DCIE	
Cc1cccnc1CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287074423	FJOCCFYXKILXSB-SNVBAGLBSA-N	301.343	0.337	70	10	DCIE	
O=S(=O)(N1CCC[C@@H](O)C1)N1CC[C@@H]([B-](F)(F)F)C1	2319746186	WDFYYWDZMKFMJC-RKDXNWHRSA-N	301.119	0.611	70	10	DCIE	
COCCOCCCCNS(=O)(=O)CCCNC(C)C	159474718	AGFFZCYSSCPEPX-UHFFFAOYSA-N	310.460	0.737	70	10	DCIE	
COc1ccc(S(=O)(=O)NC[C@]2(OC)CCOC2)c(N)c1	159903300	KYYYQZQMHBRDAZ-CYBMUJFWSA-N	316.379	0.361	70	10	DCIE	
CCOC(=O)CCN(C(=O)c1nc(C)c(C)[nH]c1=O)C1CC1	159910727	CIGALTGXBUBKJO-UHFFFAOYSA-N	307.350	0.945	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1c1ncnc(Cl)c1CO	160100028	FGOWBTSOKIXHDW-SNVBAGLBSA-N	314.773	0.352	70	10	DCIE	
COCCNCc1ccc(S(=O)(=O)NCC(C)(C)CO)o1	160457422	BBCMUJBHMULGDV-UHFFFAOYSA-N	320.411	0.312	70	10	DCIE	
COC[C@@H](O)CCNC(=O)c1cc(Cn2cc(C)cn2)on1	161115913	IOFNHTMRPNKBRH-NSHDSACASA-N	308.338	0.355	70	10	DCIE	
Cc1c[nH]nc1Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	715490905	LUZJMFUELCFSFB-UHFFFAOYSA-N	305.703	0.799	70	10	DCIE	
O=C(N[C@@H](c1ncon1)C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1156221063	LBGGGBFBMQBUEX-SECBINFHSA-N	314.298	0.937	70	10	DCIE	
Cn1nnc(NC(=O)CCc2ccc(S(=O)(=O)F)cc2)n1	1534842415	ZQXOVYMLBXNCJZ-UHFFFAOYSA-N	313.314	0.440	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)[nH]1	1923174488	UZQOOHNMZWITOH-MBTKJCJQSA-N	301.343	0.875	70	10	DCIE	
O=S1(=O)CCON(c2ncc([B-](F)(F)F)cc2F)CC1	2116151958	CSAOTQQFQQHITH-UHFFFAOYSA-N	313.061	0.442	70	10	DCIE	
Cc1ncnc(OC[C@H](C)N2CCOCC2)c1[B-](F)(F)F	2186851010	VJIGGZBJQRDQGS-VIFPVBQESA-N	304.101	0.939	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccnc(Cl)c1	2271495689	PGXVGDFKOXCJJE-MRVPVSSYSA-N	307.734	0.753	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ncc(F)cc3[B-](F)(F)F)C[C@@H]21	2336509054	QZHWLUVTPAICAO-RCOVLWMOSA-N	309.073	0.508	70	10	DCIE	
COCCOCCCCNS(=O)(=O)c1sc(N)nc1C	159474278	HKIWRAMGYHGHKH-UHFFFAOYSA-N	323.440	0.755	70	10	DCIE	
COC(=O)Cn1cc(CCn2nc(-c3ccco3)oc2=O)nn1	159512969	URELUMVRZUIIOT-UHFFFAOYSA-N	319.277	0.104	70	10	DCIE	
COc1cc(C)c(N)cc1S(=O)(=O)NCC(C)(C)CO	160043790	PHVJWRZRMWZKGJ-UHFFFAOYSA-N	302.396	0.883	70	10	DCIE	
Cn1ncc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1=O	1134032650	YQOBBBQDCDDNPI-UHFFFAOYSA-N	311.294	0.691	70	10	DCIE	
CC(C)(F)[C@@](C)(F)C(=O)N1CCN(S(=O)(=O)F)CC1	1974014255	GSOOQVVFFZXFEH-JTQLQIEISA-N	302.318	0.821	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)c2cncs2)C1	2022198204	NQQRGWHWLUHZIJ-UHFFFAOYSA-N	300.358	0.063	70	10	DCIE	
CCOCCCS(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2028502975	FCUUIWLDEGOBCZ-SECBINFHSA-N	303.377	0.116	70	10	DCIE	
COC12CC(C1)N(C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl)C2	2185469383	CPIMZDLOVMQGBR-UHFFFAOYSA-N	319.770	0.649	70	10	DCIE	
COC[C@@]1(C)C[C@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2284693344	XRXCJELCWSVSOC-RDDDGLTNSA-N	321.786	0.800	70	10	DCIE	
Cc1cc(O[C@@H]2CCN(S(C)(=O)=O)C2)ncc1[B-](F)(F)F	2285601564	YPBZAZFYSYXLKB-SECBINFHSA-N	323.125	0.857	70	10	DCIE	
C[C@]1(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C[C@@H]1C(F)(F)F	2287073848	YULVODJCSFOIFS-ZKWXMUAHSA-N	318.292	0.980	70	10	DCIE	
Cc1cc(C)nc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1	2287073893	ZFWZHKQVXCWRRV-SNVBAGLBSA-N	301.343	0.717	70	10	DCIE	
O=C(NCCc1ccccc1)NC[C@H](O)Cn1ccccc1=O	218453740	UACWSLOSFXGZNZ-HNNXBMFYSA-N	315.373	0.751	70	10	DCIE	
Cc1cc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)nn1C	688110477	ZNURUXXHDBTZQN-UHFFFAOYSA-N	319.730	0.809	70	10	DCIE	
O=C(NC[C@@]1(O)C[C@H]2C=C[C@H]1C2)c1cc(S(=O)(=O)F)c[nH]1	1521709338	YAYCVQVCSOZNKV-RVBZMBCESA-N	314.338	0.730	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccccc1	160518681	CSWQVUQJIULTSO-CYBMUJFWSA-N	312.391	0.602	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NCCc2nccn2C)c1F	159492106	YMERVMZPIHAWND-UHFFFAOYSA-N	312.370	0.971	70	10	DCIE	
CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	159558809	FUPQSUULZFPBLL-GHMZBOCLSA-N	310.398	0.306	70	10	DCIE	
O=S(=O)(NCc1ccc(F)cc1)N1CCC[C@@H](CO)C1	218689605	VJKSNJSJSDNJBT-GFCCVEGCSA-N	302.371	0.864	70	10	DCIE	
CCN(C1COC1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	1915680480	MWYLFJCBFVJNDS-UHFFFAOYSA-N	323.367	0.754	70	10	DCIE	
CC(=O)N[C@H](C(=O)N1CCC[C@H](S(=O)(=O)F)C1)C(C)C	1968227669	QFOJEHVZDAWEEU-QWRGUYRKSA-N	308.375	0.437	70	10	DCIE	
COC1CC(CCC(=O)NCC2CN(S(=O)(=O)F)C2)C1	1974054989	LIMGAXZEBCJUSA-UHFFFAOYSA-N	308.375	0.454	70	10	DCIE	
O=C1NCC[C@@H]1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl	691638321	JRKHHFBWEQYRON-QMMMGPOBSA-N	320.710	0.790	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CC[C@@H](CS(C)(=O)=O)C2)n1	2172759040	YLKIQAHOXHXEDM-SECBINFHSA-N	322.141	0.710	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCOCCC23COC3)n1	2172768902	PVMGMXCRIBLHGU-UHFFFAOYSA-N	302.085	0.835	70	10	DCIE	
COc1nn(C)cc1CN(C)c1ncncc1[B-](F)(F)F	2172771754	DWUIQMRKLUSEOS-UHFFFAOYSA-N	300.073	0.910	70	10	DCIE	
CCn1nnc(Cn2cc(S(=O)(=O)Cl)nc2COC)n1	2197874906	XVKWNOGLMMPPLG-UHFFFAOYSA-N	320.762	0.012	70	10	DCIE	
Cc1cc(S(=O)(=O)F)c(C)cc1OCC(=O)NCC#N	2191413880	KZCQQEOBQRQORL-UHFFFAOYSA-N	300.311	0.980	70	10	DCIE	
CS(=O)(=O)CCS(=O)(=O)N1CCC([B-](F)(F)F)CC1	2223254923	AURCRUISRXJDBK-UHFFFAOYSA-N	322.159	0.674	70	10	DCIE	
O=C(CSc1ccc(F)cc1)NC1CN(S(=O)(=O)F)C1	2284149614	DZAUPACIIGLOPD-UHFFFAOYSA-N	322.358	0.933	70	10	DCIE	
COCCn1c([C@@H]2C[C@H]2COC)nnc1S(=O)(=O)Cl	2133500426	LIKNPIJKDGTGRB-JGVFFNPUSA-N	309.775	0.602	70	10	DCIE	
CO[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCOC1	1123821032	XTUVNEBJVIJWSZ-LDYMZIIASA-N	320.342	0.454	70	10	DCIE	
C#CCN(CC#N)C(=O)c1ccc(S(=O)(=O)F)c(OC)c1	1459389681	UENDGQFPWZBXJZ-UHFFFAOYSA-N	310.306	0.952	70	10	DCIE	
COC(=O)[C@@H](CS(=O)(=O)F)NC(=O)OCc1ccccc1	1615904110	NHHPPFFUFGVTGS-SNVBAGLBSA-N	319.310	0.754	70	10	DCIE	
C#CCN[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1566724445	IRZQPGDFGYORSX-GFCCVEGCSA-N	313.354	0.404	70	10	DCIE	
CSc1nc(N)cc(N2CCOC[C@H]2C(=O)NC(C)C)n1	160577353	PVMRHIBOPSAFFZ-VIFPVBQESA-N	311.411	0.511	70	10	DCIE	
CNC(=O)CCCN(C)S(=O)(=O)c1c(C)nn(C)c1Cl	159430547	XMTGNAYQDQBMGC-UHFFFAOYSA-N	322.818	0.529	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)c2cccnc2F)C1	2134978397	FOWYNNDFFSLSOQ-UHFFFAOYSA-N	312.319	0.141	70	10	DCIE	
COc1cncc(C(=O)N2CCN(S(=O)(=O)F)CC2)c1	1974001562	WDVKUAKLPMMYPG-UHFFFAOYSA-N	303.315	0.062	70	10	DCIE	
O=C(CCc1cccnc1)NCC1CN(S(=O)(=O)F)C1	1974059182	KIEHEWZZIVGAEZ-UHFFFAOYSA-N	301.343	0.277	70	10	DCIE	
CNS(=O)(=O)c1ccc(OCC2CCOCC2)cc1N	159668190	GXHXVWLKLMORLZ-UHFFFAOYSA-N	300.380	0.982	70	10	DCIE	
C[C@@]1(C(=O)Nc2ccccc2S(=O)(=O)F)CNC(=O)C1	2172376656	HDEJHFYLJPXSML-LBPRGKRZSA-N	300.311	0.810	70	10	DCIE	
O=C(N1CCC(S(=O)(=O)F)CC1)C(F)(F)[C@@H]1CCOC1	2185235368	JKDQUCGXIIFOCY-MRVPVSSYSA-N	315.313	0.949	70	10	DCIE	
COC[C@@]1(C(=O)N2CC(CCS(=O)(=O)F)C2)CCCO1	2199697950	LYAXETYOZASCIU-GFCCVEGCSA-N	309.359	0.330	70	10	DCIE	
C[C@H](CS(=O)(=O)N1CCN(S(=O)(=O)F)CC1)C1CC1	2107411413	JQEYJRXMNVQIPG-SECBINFHSA-N	314.404	0.194	70	10	DCIE	
Cc1nc(Cl)cc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)n1	2088470320	WKOFINVBXGHZCM-SSDOTTSWSA-N	307.734	0.952	70	10	DCIE	
COCCCS(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2110223488	XULJYLQLWCATQK-UHFFFAOYSA-N	312.344	0.518	70	10	DCIE	
Cc1ccnc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)c1[B-](F)(F)F	2336519658	HKSOMDUJNOBZLQ-DTWKUNHWSA-N	305.110	0.678	70	10	DCIE	
Cc1ccc(OCNC(=O)N2CCN(CCN)CC2)cc1C	217293021	HTDZZXJSKOIPDF-UHFFFAOYSA-N	306.410	0.926	70	10	DCIE	
O=C(NC[C@@H]1CN(S(=O)(=O)F)CC12CCC2)C(F)(F)F	1957156895	CACLFSAAQDDUAJ-SSDOTTSWSA-N	318.292	0.981	70	10	DCIE	
CNCC1CCN(S(=O)(=O)N2C[C@H](C)N(C)[C@@H](C)C2)CC1	159778304	QWUJRHYEVZVYFM-STQMWFEESA-N	318.487	0.187	70	10	DCIE	
COC[C@H]1C[C@@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2133554659	JWHXPZTXBQFKGL-RNFRBKRXSA-N	308.743	0.159	70	10	DCIE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923157047	RRPHOQUDCFDSOV-BZNPZCIMSA-N	301.343	0.731	70	10	DCIE	
Cn1c(C(=O)N2CC[C@H](S(=O)(=O)F)C2)ccc1[N+](=O)[O-]	1968234493	CGHWDIYVLXWBNQ-ZETCQYMHSA-N	305.287	0.447	70	10	DCIE	
COC1(C(F)(F)C(=O)N2CC(CS(=O)(=O)F)C2)CCC1	1968228202	WPQFYAZPWIDLLX-UHFFFAOYSA-N	315.313	0.949	70	10	DCIE	
C[C@@H]1CCC[C@@H]1CS(=O)(=O)NCCS(=O)(=O)Cl	1944911090	CNMICBYTRUITHS-RKDXNWHRSA-N	303.833	0.911	70	10	DCIE	
O=C([C@@H]1COCCC1(F)F)N1CCC(S(=O)(=O)F)CC1	1972664871	PUEYWNQTMVBNMY-VIFPVBQESA-N	315.313	0.949	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N2CCNC(=O)CC2)c1F	159518043	BNCCREJUQXLVIK-UHFFFAOYSA-N	301.343	0.227	70	10	DCIE	
O=S(=O)(Cl)c1nnc([C@@H]2CCS2(=O)=O)n1C1CC1	2033313226	NQJPYDSQRBFKMX-LURJTMIESA-N	311.772	0.400	70	10	DCIE	
Cc1nc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)ncc1[B-](F)(F)F	2172770047	FVWTUZBQBMJTKV-SCZZXKLOSA-N	320.125	0.463	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCO[C@@H]([C@H]2CCCO2)C1	2172775514	CYGNXXVDBCGBLO-GHMZBOCLSA-N	302.085	0.915	70	10	DCIE	
COc1nc(N2C[C@@H](OC)[C@H](OC)C2)ncc1[B-](F)(F)F	2172767683	XKGSOSGIGSPVPG-RKDXNWHRSA-N	306.073	0.390	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@]1(C)COCCO1	2182342559	BHYHPLNUEWGREW-LLVKDONJSA-N	324.786	0.763	70	10	DCIE	
O=C([C@H]1CCCc2nccn21)N1CC(CS(=O)(=O)F)C1	2199695357	UHAAVPHTUGMFPX-SNVBAGLBSA-N	301.343	0.518	70	10	DCIE	
C[C@H](C[S@](C)=O)NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	135264029	LATVJKSJHHOTJF-ZWBDZOEQSA-N	312.800	0.439	70	10	DCIE	
CC(C)Cn1ncc(N(C)C[C@@H]2CNCCO2)c(Cl)c1=O	159853771	SWNCVGOCYNAQEV-NSHDSACASA-N	314.817	0.977	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cc(N)ccc2F)CCOC1	159899862	YSJMRSLRCHXYAG-LBPRGKRZSA-N	304.343	0.492	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H](NC(C)=O)C1	160197263	SJSRPONIJDFMJC-LLVKDONJSA-N	322.365	0.611	70	10	DCIE	
CN(C)C(=O)NCCNS(=O)(=O)c1cc(Cl)ccc1N	160694688	BFILYJPURLOWSR-UHFFFAOYSA-N	320.802	0.472	70	10	DCIE	
CN[C@@H](c1c(OC)cnn1CCN(C)C)[C@H]1CSCCO1	161331393	NEIQCUNRJMFFRU-CHWSQXEVSA-N	314.455	0.846	70	10	DCIE	
C[C@H]1OCC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	163334504	MEWSEYGECMPUBY-LDYMZIIASA-N	323.367	0.801	70	10	DCIE	
Cc1nc(C)c(C(=O)NC[C@H](O)Cn2ccccc2=O)s1	218425440	HDROFICXWNXGPW-NSHDSACASA-N	307.375	0.713	70	10	DCIE	
C[C@H]1CN(CCCS(=O)(=O)Cl)C[C@H](C)S1(=O)=O	400877277	NKGSQLGYAWUBGZ-IUCAKERBSA-N	303.833	0.453	70	10	DCIE	
COCCn1c(-c2ccnnc2C)nnc1S(=O)(=O)Cl	701811569	NYXWVALVJAHLKW-UHFFFAOYSA-N	317.758	0.617	70	10	DCIE	
COC(=O)N(C)CC(=O)Nc1ncc(S(=O)(=O)F)s1	1131810851	YZYCGFXIMRJARA-UHFFFAOYSA-N	311.316	0.438	70	10	DCIE	
CCN(CC)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2028130777	RIGSRBPRTFDJKP-SECBINFHSA-N	302.393	0.337	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ccncc3[B-](F)(F)F)C[C@@H]2C1	2116146096	SZLWJCNPBDDLJY-DTORHVGOSA-N	305.110	0.617	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1C[C@H]2COC[C@H]21	2143879874	SLCADSDLCKPHJS-FXBDTBDDSA-N	318.782	0.717	70	10	DCIE	
Cc1nc(N(C)C[C@@H]2CCS(=O)(=O)C2)ncc1[B-](F)(F)F	2172766593	IUIHQTKJBZIVEV-VIFPVBQESA-N	322.141	0.710	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1[C@H]1COC[C@@H]1OC	2182344501	QJPNAOJNVSOJKO-IUCAKERBSA-N	324.786	0.933	70	10	DCIE	
CCn1nnnc1CN(C)c1ncc([B-](F)(F)F)cc1F	2196303929	LJYZUDNXXOWJRQ-UHFFFAOYSA-N	303.052	0.918	70	10	DCIE	
O=S(=O)(CCC1CCC1)N[C@H]1CCN(S(=O)(=O)F)C1	2271500905	OCUWTWWFWIOQEV-JTQLQIEISA-N	314.404	0.385	70	10	DCIE	
COCCn1c([C@H]2C[C@@H]3CC[C@H]2O3)nnc1S(=O)(=O)Cl	2353900880	BIDASVXCQOEMBD-XHNCKOQMSA-N	321.786	0.887	70	10	DCIE	
CNC[C@@H](C)CNc1cnn(CC(=O)OC)c(=O)c1Cl	159872474	NWVCVUWJCUEQIU-MRVPVSSYSA-N	302.762	0.337	70	10	DCIE	
CNC(=O)C1(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)CC1	161165072	RTAQIJOFCWTMFL-GFCCVEGCSA-N	317.389	0.916	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1	163330408	UBTHATMYDLDKLF-MRVPVSSYSA-N	309.340	0.412	70	10	DCIE	
Cc1nn(CC[C@@H]2CCNC2=O)c(C)c1S(=O)(=O)Cl	395950929	YOGDVZCBMCEPGS-VIFPVBQESA-N	305.787	0.954	70	10	DCIE	
COC(=O)[C@H](CS(=O)(=O)F)NC(=O)OCc1ccccc1	675066562	NHHPPFFUFGVTGS-JTQLQIEISA-N	319.310	0.754	70	10	DCIE	
CCc1cc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n[nH]1	1293270821	SWYIHVZKYMSFFF-UHFFFAOYSA-N	300.315	0.888	70	10	DCIE	
COc1nnccc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1584238080	KBWGEOPJXLMLFD-UHFFFAOYSA-N	300.271	0.724	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1CC2(CC2)CO1	1974394270	GMNXWROSQVCFGH-SNVBAGLBSA-N	306.359	0.350	70	10	DCIE	
O=C([C@H]1C[C@@H]1Br)N1CC(CCS(=O)(=O)F)C1	1992831858	QFBYETKQMBLAAD-YUMQZZPRSA-N	314.176	0.918	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1C[C@@H]2CCO[C@H]2C1	2172080571	ANEWWDZXCRMVDY-KWQFWETISA-N	318.782	0.814	70	10	DCIE	
O=C(CSCc1ccccc1)NC1CN(S(=O)(=O)F)C1	2284150623	LHROYAXQGIAFBP-UHFFFAOYSA-N	318.395	0.935	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1ncncc1F	2289367265	NGIQWLMHBWXELL-UHFFFAOYSA-N	306.294	0.024	70	10	DCIE	
C[C@]1([B-](F)(F)F)CCN(S(=O)(=O)C2CS(=O)(=O)C2)C1	2319743283	HDCFKWVAMWZHRC-QMMMGPOBSA-N	320.143	0.427	70	10	DCIE	
COCCC[C@H](N)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	159407907	IYPIPUGGPKRTQU-NSHDSACASA-N	315.395	0.335	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NCCNC(=O)N(C)C)c1C	160699074	JHTIUIPPKVXWQD-UHFFFAOYSA-N	314.411	0.435	70	10	DCIE	
CCOC(=O)CNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	217287626	DDOWQFLZIQAQPV-ZDUSSCGKSA-N	319.361	0.650	70	10	DCIE	
NC1=CCN(C(=O)c2ccc(S(=O)(=O)F)cc2Cl)N1	1439525849	LVBJVTVLLZVFJX-UHFFFAOYSA-N	305.718	0.759	70	10	DCIE	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)F)CCO1	1954657622	ZEAGPIZGFQJHIZ-BDAKNGLRSA-N	312.363	0.815	70	10	DCIE	
CN(C)c1cc(C(=O)N2CC(CS(=O)(=O)F)C2)ccn1	1968226822	HEGJBQPOWPXSFH-UHFFFAOYSA-N	301.343	0.519	70	10	DCIE	
O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1cc(S(=O)(=O)Cl)c[nH]1	2095467953	KVQPMBRBZTWCRY-QXFUBDJGSA-N	304.755	0.849	70	10	DCIE	
COCCn1c(-c2cc(O)ncn2)nnc1S(=O)(=O)Cl	2165790783	WMEDDQRJGWREHF-UHFFFAOYSA-N	319.730	0.015	70	10	DCIE	
COCCn1c(Cc2cnsc2)nnc1S(=O)(=O)Cl	2265462461	KDLRUUGYOJTXGS-UHFFFAOYSA-N	322.799	0.899	70	10	DCIE	
O=C(NC12COCC(C1)C2)c1cc(S(=O)(=O)Cl)c[nH]1	2273169490	CPLWWWVYYLZJAT-UHFFFAOYSA-N	304.755	0.851	70	10	DCIE	
CCOc1ccc(NS(N)(=O)=O)cc1S(=O)(=O)Cl	100609853	RKVGPBIRPUUXTF-UHFFFAOYSA-N	314.772	0.628	70	10	DCIE	
Cc1nn(C)c(C)c1C(=O)N1CC(CCS(=O)(=O)F)C1	2199691843	FRGLHHMSWHLNLN-UHFFFAOYSA-N	303.359	0.798	70	10	DCIE	
CS(=O)(=O)N[C@H]1CCN(c2ccc([B-](F)(F)F)cn2)C1	2116136001	BSAIBMJEPZYDPE-VIFPVBQESA-N	308.114	0.264	70	10	DCIE	
COc1ccc(-c2nnnn2CC#N)cc1S(=O)(=O)Cl	585859545	FXTNXDICIJIFNT-UHFFFAOYSA-N	313.726	0.800	70	10	DCIE	
CCc1ncncc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974000956	KBEPXUXIYRVIJW-UHFFFAOYSA-N	302.331	0.011	70	10	DCIE	
C[C@@H](CO)[C@@H](C)NC(=O)Cc1csc(NS(C)(=O)=O)n1	160350018	YVMANTVLKWNKBC-JGVFFNPUSA-N	321.424	0.190	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CC[C@@H]2N(C)C)c1S(=O)(=O)Cl	2157690718	BDBGIMUVYQTPOJ-SFYZADRCSA-N	320.802	0.468	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1Cc1cn(C)nn1	2182343024	FTPKKDBBMKGILH-UHFFFAOYSA-N	319.774	0.524	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@]23C[C@H](CCO2)C3)[nH]1	2196604183	VOXJSVURANHLCM-DGFRNANFSA-N	303.315	0.008	70	10	DCIE	
CO[C@@H]1COC[C@H]1n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	2090561833	AZIROEQOHUIRRW-PHDIDXHHSA-N	311.703	0.305	70	10	DCIE	
CSc1nc([C@H]2CCCO2)nc2c1c(=O)n(C)c(=O)n2C	217416823	KPLLBDVNYWAVPV-SSDOTTSWSA-N	308.363	0.601	70	10	DCIE	
COCCn1c(-c2ccncc2)nnc1S(=O)(=O)Cl	133336242	MHBJKALYTOVCJB-UHFFFAOYSA-N	302.743	0.914	70	10	DCIE	
CN(C[C@H]1CCO1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	2366917330	OQAOJFTZFXDKMM-SECBINFHSA-N	323.367	0.754	70	10	DCIE	
C[C@@H](C(=O)Nc1ccccc1S(=O)(=O)F)S(C)(=O)=O	228310478	JQDVRJSNDUERQT-ZETCQYMHSA-N	309.340	0.716	70	10	DCIE	
O=C(NCCCN1CCOC1=O)c1cc(S(=O)(=O)F)c[nH]1	1123617159	SIELREOJCSKJDB-UHFFFAOYSA-N	319.314	0.245	70	10	DCIE	
COCCn1nnnc1-c1cccc(S(=O)(=O)Cl)c1	107056422	QVSOQPWMUQBYGD-UHFFFAOYSA-N	302.743	0.914	70	10	DCIE	
CNc1ccc(S(=O)(=O)NCCCCOCCOC)cn1	160013321	DEHKLPVMDNDUMJ-UHFFFAOYSA-N	317.411	0.845	70	10	DCIE	
CS(=O)(=O)N1CCC[C@H](CN2CCC(OCCO)CC2)C1	160437007	BZOHWMKSNAPODT-CYBMUJFWSA-N	320.455	0.131	70	10	DCIE	
COc1ccc(C)cc1N1C[C@@H](C(=O)NC2(CO)CC2)CC1=O	160546500	MHSQQBNMGPMKEZ-LBPRGKRZSA-N	318.373	0.998	70	10	DCIE	
CCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)F)nc1	2132916474	SXUXRNSWOUKMFO-UHFFFAOYSA-N	310.328	0.113	70	10	DCIE	
CCc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)n(C)n1	1968226781	GKAXRWXMDVCZPA-SNVBAGLBSA-N	303.359	0.886	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@@H]2[C@H]1C2(F)F	1974055647	UJPXGXCICATUNR-HLTSFMKQSA-N	312.313	0.540	70	10	DCIE	
C#CCNC(=O)[C@@H](C)n1cc(S(=O)(=O)Cl)nc1COC	2182345209	YJCAYXULSQCLML-MRVPVSSYSA-N	319.770	0.267	70	10	DCIE	
Cn1nnc(COc2c(F)cc(S(=O)(=O)F)cc2F)n1	2191421087	FADAQCGLTSQQDW-UHFFFAOYSA-N	308.241	0.726	70	10	DCIE	
O=S1(=O)CC[C@@H](COc2cc(F)ccc2[B-](F)(F)F)N1	2089980559	VHMUFVFWXMGBKS-QMMMGPOBSA-N	312.073	0.951	70	10	DCIE	
COc1cc(C)nc(S(=O)(=O)CCS(=O)(=O)Cl)c1	2315040248	ACIOIRQNVIEEOA-UHFFFAOYSA-N	313.784	0.741	70	10	DCIE	
CCO[C@@H](C)CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	133190721	QMRUMVVAJDSCQS-LURJTMIESA-N	309.775	0.800	70	10	DCIE	
CC[C@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	460094584	NMSPBHKPWZRJNL-MRVPVSSYSA-N	306.340	0.925	70	10	DCIE	
Cc1ncnc(N2CCS(=O)(=O)C[C@@H]2C)c1[B-](F)(F)F	2116131266	VIZKKDDSJGOEOR-ZETCQYMHSA-N	308.114	0.463	70	10	DCIE	
CC[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1C)C(N)=O	1534087962	SNGDVDOLJFIFAS-SNVBAGLBSA-N	302.327	0.647	70	10	DCIE	
CCS(=O)(=O)[C@H]1CCN(c2ncc([B-](F)(F)F)cn2)C1	2123308276	JTUFRCFUYFZPDS-VIFPVBQESA-N	308.114	0.544	70	10	DCIE	
O=C(N[C@H]1CCc2ncnn2C1)N1CCC(C2OCCO2)CC1	161254305	ZHJIMGZGMHPHPP-LBPRGKRZSA-N	321.381	0.387	70	10	DCIE	
COCCNC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O	160589020	QOWMWOJVBMBBGP-LLVKDONJSA-N	304.350	0.731	70	10	DCIE	
COC[C@@H]1C[C@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2133554657	JWHXPZTXBQFKGL-BQBZGAKWSA-N	308.743	0.159	70	10	DCIE	
CN(C)CC(C)(C)CNS(=O)(=O)N1CCC[C@H](CO)C1	217297504	JMQHHLHTCQBXPF-LBPRGKRZSA-N	307.460	0.113	70	10	DCIE	
Cn1cc(Cl)cc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974000570	BVOBQPVJIASMPB-UHFFFAOYSA-N	309.750	0.651	70	10	DCIE	
CCOC(=O)[C@@H]1CNCCN1c1nnc(C(F)(F)F)s1	160375681	BULNGHLVAVDVEX-LURJTMIESA-N	310.301	0.898	70	10	DCIE	
CS(=O)(=O)[C@H]1CSCCN1c1c(N)cccc1C(N)=O	161213465	HZLCEVPMGRXOTL-JTQLQIEISA-N	315.420	0.292	70	10	DCIE	
CCn1ncc(Cn2cc(S(=O)(=O)Cl)nc2COC)n1	2182344018	NMBTZQOFYXPNEK-UHFFFAOYSA-N	319.774	0.617	70	10	DCIE	
C[C@@H](NC(=O)c1cccs1)C(=O)N1CC(S(=O)(=O)F)C1	2199696775	YCEDZAUNTDNKRP-SSDOTTSWSA-N	320.367	0.377	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)Cc2ccncc2)C1	2114474239	QKJPLLDFRIUWBB-SNVBAGLBSA-N	308.356	0.285	70	10	DCIE	
O=C([C@H](O)Cc1ccccc1)N1CC[C@H](S(=O)(=O)F)C1	2205350311	RSUFFYUNKRBAIB-NWDGAFQWSA-N	301.339	0.490	70	10	DCIE	
C[C@H]1O[C@@]2(C(=O)N[C@@H]3CCN(S(=O)(=O)F)C3)CC[C@H]1C2	2287073209	SBSHSKDFOWUKGZ-KLBPJQLPSA-N	306.359	0.349	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)n1	2336520086	JZEVHHHMIQBHPF-IONNQARKSA-N	306.098	0.073	70	10	DCIE	
C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](O)CN1CCCCC1	160004921	NRDYOJLTNWTJTL-OLZOCXBDSA-N	323.393	0.361	70	10	DCIE	
C[C@H](Oc1cccnc1)C(=O)NC[C@H](O)CN1CCCCC1	160007757	UUTPCFDERRWORX-KBPBESRZSA-N	307.394	0.812	70	10	DCIE	
CCNC(=O)N1CC[C@@H](NC(=O)NCc2ncccc2F)C1	160415113	CKWUXWQJBBGALQ-SNVBAGLBSA-N	309.345	0.824	70	10	DCIE	
Cc1cc(C(N)=S)cc(NCC(C)(C)NS(C)(=O)=O)n1	161315015	XLSQKTYVXRKTOJ-UHFFFAOYSA-N	316.452	0.764	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CC(=O)N1CCCC1	215818550	ODTVQFCIRJNDKF-UHFFFAOYSA-N	305.787	0.995	70	10	DCIE	
COCCOCNC(=O)N1CCN(C(=O)c2ccco2)CC1	217311218	SYAJKONEZBYNLJ-UHFFFAOYSA-N	311.338	0.368	70	10	DCIE	
Cc1[nH]c(=O)sc1S(=O)(=O)N1[C@H](C)C[C@@H]2CNC[C@@H]21	217805549	PUUGBXKXRMUMQP-VDAHYXPESA-N	303.409	0.116	70	10	DCIE	
O=C1CC[C@@H](C(=O)Nc2ccccc2S(=O)(=O)F)CN1	706282350	ITEUUKQRFXCNAA-MRVPVSSYSA-N	300.311	0.810	70	10	DCIE	
O=S(=O)(Cl)CCCN1CC[C@@]2(CCCS2(=O)=O)C1	708694233	SPHBZOIBELYJJM-JTQLQIEISA-N	315.844	0.598	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@]12C[C@H](CO1)C2	1879818434	BCGWTNXXCYZMDU-XGAOUMNUSA-N	306.727	0.055	70	10	DCIE	
CC(=O)Nc1nc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)cs1	1968236560	XRDICIYUXHACTM-ZETCQYMHSA-N	321.355	0.615	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1ncccc1F	1974395049	UIQJOWRKBQUZTD-UHFFFAOYSA-N	305.306	0.629	70	10	DCIE	
CC(C)CO[C@H](C)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2165525522	MGCAPBRBEXZOKN-MRVPVSSYSA-N	307.347	0.500	70	10	DCIE	
COCCN1CCCN(c2ncc([B-](F)(F)F)cn2)CC1	2172785405	UKXJQNOLSMSUOS-UHFFFAOYSA-N	303.117	0.690	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2C[C@@H]3COC[C@H]32)c1	2186345242	RGRHWIHZEDHMMA-LDYMZIIASA-N	321.351	0.364	70	10	DCIE	
Fc1cnc(N2CCN3CCOC[C@H]3C2)c([B-](F)(F)F)c1	2188593638	HTOBJEDMMCVTDO-SNVBAGLBSA-N	304.076	0.796	70	10	DCIE	
O=C([C@@H]1C[C@@H]1C1CCOCC1)N1CC(CS(=O)(=O)F)C1	2200090580	KKTKHXWZQCOGKC-VXGBXAGGSA-N	305.371	0.807	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NCC[C@@H]1CCO1	2278594762	ZPRZTKJDJFHONZ-MRVPVSSYSA-N	306.771	0.861	70	10	DCIE	
O=C(Cc1ccccc1F)N[C@@H]1CCN(S(=O)(=O)F)C1	2287074732	IXZXRSKDWBDWIO-SNVBAGLBSA-N	304.318	0.773	70	10	DCIE	
CN(C)c1ccc(C(=O)NC[C@H](O)Cn2ccccc2=O)cc1	218429451	IOKOOAJAIALZKJ-HNNXBMFYSA-N	315.373	0.705	70	10	DCIE	
C=C(C)CN(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1267217261	CUBFUFGPXWVFMC-UHFFFAOYSA-N	303.359	0.911	70	10	DCIE	
O=C(NC[C@@H]1CN2CCC1CC2)c1cc(S(=O)(=O)F)c[nH]1	1636747798	QJIHPEKFTOVDSS-SNVBAGLBSA-N	315.370	0.745	70	10	DCIE	
Cc1ccc(S(N)(=O)=O)c(C(=O)N(C)[C@@H]2CCO[C@H]2C)c1	160509688	QGMUEBHUVJGCEX-CMPLNLGQSA-N	312.391	0.892	70	10	DCIE	
COC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	163300782	FZKAKJGGINWNLC-MRVPVSSYSA-N	311.356	0.658	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1c1cnccc1C(N)=S	159814457	MWAFMFCQRRFWEV-GFCCVEGCSA-N	308.407	0.446	70	10	DCIE	
CC(=O)C[C@@H](C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O	159969786	OWHIDQFWGQMORN-SECBINFHSA-N	303.318	0.174	70	10	DCIE	
COC[C@H](C)CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2130983326	SSGZBQIGDITHAQ-SSDOTTSWSA-N	310.759	0.549	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C[C@H]2CC[C@H]1O2	1974394692	NPNNMNQKLAOXIF-GMTAPVOTSA-N	306.359	0.349	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1C[C@H]2OCC[C@H]12	2151831145	SPUXJDGMVHPAEK-FXPVBKGRSA-N	318.782	0.860	70	10	DCIE	
CNC(=O)COc1c(C)cc(C(=O)O)cc1S(=O)(=O)Cl	2155019770	WPAHXAVVUXTVNC-UHFFFAOYSA-N	321.738	0.746	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N(C)CCN(C)S(C)(=O)=O	2172798333	RRXFCGXHISKLLK-UHFFFAOYSA-N	324.157	0.772	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1csc(Cl)n1	2078399112	LPGNCVIJQFNKLO-UHFFFAOYSA-N	313.763	0.672	70	10	DCIE	
CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)o1	159488092	KRQOIPGIVSBDIU-AOOOYVTPSA-N	313.379	0.154	70	10	DCIE	
COC(=O)C1CCC(OCCS(=O)(=O)CCC(N)=O)CC1	160532184	QMQDQMDSBIALQV-UHFFFAOYSA-N	321.395	0.025	70	10	DCIE	
Cc1ccc(C(=O)CCNC(=O)NCCN2CCNCC2)cc1	217281764	SIWPREPZOVTTSR-UHFFFAOYSA-N	318.421	0.772	70	10	DCIE	
CC(C)N1C[C@@H](NC(=O)NC(=O)c2ccccc2N)CC1=O	217288765	PHVOCMNPIGGADQ-JTQLQIEISA-N	304.350	0.718	70	10	DCIE	
CCOc1ccccc1OCNC(=O)N1CCN(C=O)CC1	217289768	QOSOIWPQWHKBMV-UHFFFAOYSA-N	307.350	0.905	70	10	DCIE	
COCCNC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1669400052	ZDGHPEYGIXERGC-MRVPVSSYSA-N	307.347	0.027	70	10	DCIE	
Cc1c(CN=[N+]=[N-])cc(B(O)O)c(C)c1OS(=O)(=O)F	1887508326	MVXRIGPXHXPXLY-UHFFFAOYSA-N	303.080	0.387	70	10	DCIE	
Cc1nn(C)c(C(=O)N2CC[C@H](S(=O)(=O)F)C2)c1Cl	1968235402	KZZLHDUUSLHLKT-ZETCQYMHSA-N	309.750	0.896	70	10	DCIE	
O=S(=O)(Cl)CCCCN1C[C@@H]2[C@H](CCS2(=O)=O)C1	2028433635	VLFSUZFENMYDDM-NXEZZACHSA-N	315.844	0.454	70	10	DCIE	
Cc1cc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)nc(Cl)n1	2088470657	ZQVIEJFLSFLUON-ZETCQYMHSA-N	307.734	0.952	70	10	DCIE	
N#CC1(CS(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)CCC1	2110056546	PCLWCBSGYRDXFJ-VIFPVBQESA-N	310.372	0.384	70	10	DCIE	
COCCc1nc(Cn2cnc(S(=O)(=O)Cl)c2)no1	2113474122	YOPZJMOQSGGIFI-UHFFFAOYSA-N	306.731	0.431	70	10	DCIE	
CC(C)COC(=O)N1CCO[C@H](CN(C)S(=O)(=O)F)C1	2162877367	HMUSCRNQBTVKBB-SNVBAGLBSA-N	312.363	0.626	70	10	DCIE	
C[C@H]1CC(C(=O)NCC2CN(S(=O)(=O)F)C2)C[C@H](C)O1	2164439175	UIACCSRMEMRXIT-IUCAKERBSA-N	308.375	0.452	70	10	DCIE	
COC[C@@H]1CC[C@@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C1	2181786194	GOXUVDSPTBASIW-MWLCHTKSSA-N	308.375	0.311	70	10	DCIE	
Cn1c([C@H](C2CC2)S(C)(=O)=O)nnc1S(=O)(=O)Cl	2314354873	WUYJEKWOLQLMJI-LURJTMIESA-N	313.788	0.238	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1C[C@@H]2CC[C@H]1O2	2354990999	LVRGZQFPEDNLTM-GJMOJQLCSA-N	320.754	0.444	70	10	DCIE	
COC[C@H](N)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1	159442248	UHOUIDGSFGLDPX-SKDRFNHKSA-N	300.380	0.241	70	10	DCIE	
O=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1C[C@@H](O)CN1	161204537	UEJBOIVGITVIIT-RQJHMYQMSA-N	309.313	0.543	70	10	DCIE	
CN(C)c1cccc(CNC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)n1	161435698	NNPRRRVBUAHSGD-NEPJUHHUSA-N	319.409	0.991	70	10	DCIE	
COCC1(NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)CCC1	378811620	ZFACSZSHCQYSMM-UHFFFAOYSA-N	321.786	0.945	70	10	DCIE	
N#CCCOCCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	385237648	PICGHTSQJGSMMB-UHFFFAOYSA-N	308.703	0.649	70	10	DCIE	
CCCn1c(C23CCN(CC2)C3)nnc1S(=O)(=O)Cl	715853677	HUALOATVESWXSS-UHFFFAOYSA-N	304.803	0.963	70	10	DCIE	
O=C(N[C@@H]1C[C@H]1[C@@H]1CCCO1)c1cc(S(=O)(=O)F)c[nH]1	1639402053	GXMHAWOONSEKPJ-KKZNHRDASA-N	302.327	0.970	70	10	DCIE	
CN(CC(=O)N1CC(S(=O)(=O)F)C1)C(=O)OC(C)(C)C	1883850919	LMCUDDXYJWZSGN-UHFFFAOYSA-N	310.347	0.363	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@]12CC[C@@H](CO1)C2	1974394062	CCEJSMVWLRWMAY-SKDRFNHKSA-N	306.359	0.350	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1C[C@H]1Br	1991400650	XCKHNXSJVBYUDD-NKWVEPMBSA-N	315.164	0.032	70	10	DCIE	
O=C(OC[C@H]1COCCO1)c1cc(S(=O)(=O)Cl)c[nH]1	2097732053	OKIRFQWPKSBPHJ-SSDOTTSWSA-N	309.727	0.514	70	10	DCIE	
COc1cscc1C(=O)NCC1CN(S(=O)(=O)F)C1	2108161427	OJOCEBPDHDGNLO-UHFFFAOYSA-N	308.356	0.633	70	10	DCIE	
C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1ncc([B-](F)(F)F)cn1	2116148500	QUFYGVYLGWLQFH-JGVFFNPUSA-N	308.114	0.543	70	10	DCIE	
CCc1[nH]nc(C(=O)NC2(C)COC2)c1S(=O)(=O)Cl	2132746487	YOEKAMSGQLLCIK-UHFFFAOYSA-N	307.759	0.418	70	10	DCIE	
O=C(Nc1ccccc1S(=O)(=O)F)C1COCCOC1	2203651400	WVFXFRIDOFZWIH-UHFFFAOYSA-N	303.311	0.946	70	10	DCIE	
C[C@]1(C(F)F)C[C@H]1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271484571	FDYHHHLQFVNINO-FWWHASMVSA-N	300.302	0.683	70	10	DCIE	
O=C(CSc1ccncc1)N[C@H]1CCN(S(=O)(=O)F)C1	2287072767	ZSNMNMZSLXKEFU-VIFPVBQESA-N	319.383	0.579	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1[C@@H]2CCO[C@@H]21	2355582102	XJCFRZGCBRXAPW-LSJOCFKGSA-N	318.782	0.953	70	10	DCIE	
CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NS(=O)(=O)F)C1	1953574885	YFHIUPHRNFUAFE-GOSISDBHSA-N	316.376	0.918	70	10	DCIE	
Cn1cc(C(=O)NCc2ccc(S(=O)(=O)Cl)cc2)nn1	306085370	GGRFZAZLIJCLFE-UHFFFAOYSA-N	314.754	0.673	70	10	DCIE	
CN(C)S(=O)(=O)CCCOc1cncc([B-](F)(F)F)c1	700300935	MCWLMPXHKQASTO-UHFFFAOYSA-N	311.114	0.796	70	10	DCIE	
O=S(=O)(OCC(F)(F)N1C[C@H]2CC[C@H]1CN2)C(F)(F)F	852752214	QIGIFAUNTASLCR-RQJHMYQMSA-N	324.271	0.882	70	10	DCIE	
CC(C)(C)OC(=O)N1CCO[C@]2(CCN(S(=O)(=O)F)C2)C1	1955897571	HVIBHELYCYGCLL-GFCCVEGCSA-N	324.374	0.913	70	10	DCIE	
C=CCNC[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1319245479	MXFRNXGBJKWSTC-VIFPVBQESA-N	303.359	0.814	70	10	DCIE	
CS(=O)(=O)N1CCN(c2ncccc2[B-](F)(F)F)CC1	2116148061	KSMLPTSGTRYSHN-UHFFFAOYSA-N	308.114	0.218	70	10	DCIE	
Cn1ccc(=NC(=O)c2ccc(S(=O)(=O)F)cc2)nc1O	1537836946	MQZSRSMTROEBPR-UHFFFAOYSA-N	311.294	0.525	70	10	DCIE	
NN[C@H](Cc1cncc(Br)c1)[C@@H]1COCCO1	161148238	UJULQGFMWPIUQT-MNOVXSKESA-N	302.172	0.634	70	10	DCIE	
CCc1n[nH]c(=O)c(CNC(=O)NC[C@H]2CCC[C@@H]2O)c1CC	160365159	XBZSBGCFGNJSNC-YGRLFVJLSA-N	322.409	0.855	70	10	DCIE	
CC(C)CN(CC(N)=O)C(=O)Cn1c(=O)[nH]c2ccccc21	159708383	IOWQVGVGWXBRGT-UHFFFAOYSA-N	304.350	0.300	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2CC3(CCO3)C2)c1	1972057580	VRPMPGCHLDQOFL-UHFFFAOYSA-N	321.351	0.508	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)Nc2ccnnc2)c1	460096321	QTWHEZJFNCEYIR-UHFFFAOYSA-N	317.323	0.936	70	10	DCIE	
O=C(CN1CCOC[C@H]1C[C@H](O)c1ccco1)N1CCOCC1	159387320	JDOAPNLAYLCCJE-KGLIPLIRSA-N	324.377	0.263	70	10	DCIE	
C[C@H](Oc1cccc(CO)c1)C(=O)N1CCO[C@H](CN(C)C)C1	160448313	CHQJPDUFRHHQGL-XJKSGUPXSA-N	322.405	0.735	70	10	DCIE	
CNS(=O)(=O)c1ccc(CNC[C@H](C)N2CCCC2)o1	160791688	VMSSSXNZDTZPAT-NSHDSACASA-N	301.412	0.762	70	10	DCIE	
CC(C)(CO)NC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	217287610	UKCYWIUMJDPBLJ-ZDUSSCGKSA-N	305.378	0.858	70	10	DCIE	
CN1CCC[C@@H]1Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	386832075	WAQHQGNGLBNGBW-SSDOTTSWSA-N	308.747	0.813	70	10	DCIE	
COCCNC/C=C/CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1699311670	RUYHNDCZXCMRPS-NSCUHMNNSA-N	319.358	0.195	70	10	DCIE	
C[C@](F)(C(=O)NCC1CN(S(=O)(=O)F)C1)C(F)(F)F	1876588704	ZJAVJWWKDIVAMF-ZETCQYMHSA-N	310.244	0.539	70	10	DCIE	
CCN1CCN(C2CN(CCCS(=O)(=O)Cl)C2)CC1	1879001876	MUHZEAJYVYAWAP-UHFFFAOYSA-N	309.863	0.267	70	10	DCIE	
C[C@@H](Cc1nc(=NC(=O)OC(C)(C)C)[nH][nH]1)S(=O)(=O)F	1953071091	JLSUNTPYAGFOFO-LURJTMIESA-N	308.335	0.804	70	10	DCIE	
O=C(NC[C@@]1(C2CC2)CCN(S(=O)(=O)F)C1)C(F)(F)F	1955902062	UNSFRGHGIOTGMF-VIFPVBQESA-N	318.292	0.981	70	10	DCIE	
O=C(COC1CCCCC1)NCC1CN(S(=O)(=O)F)C1	1974060180	RXETYUSRUVGJFG-UHFFFAOYSA-N	308.375	0.598	70	10	DCIE	
C[C@@H]1CCCCN1S(=O)(=O)N1CC(S(=O)(=O)F)C1	2078998247	SFPFJBVHCWXIEL-MRVPVSSYSA-N	300.377	0.089	70	10	DCIE	
COC[C@@H]1C[C@@H]1CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2133426818	FCXRZTGOWXASSM-SFYZADRCSA-N	306.771	0.955	70	10	DCIE	
O=C([C@H]1CCc2c[nH]nc2C1)N1CC[C@@H](S(=O)(=O)F)C1	2144734165	XXHHEOBOJAQHQF-WCBMZHEXSA-N	301.343	0.415	70	10	DCIE	
CC(C)n1c([C@@H]2CO[C@@H]3COC[C@H]32)nnc1S(=O)(=O)Cl	2158054261	BMTAKXNSOPODLD-DJLDLDEBSA-N	321.786	0.915	70	10	DCIE	
C[C@@H]1C[C@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CCS1	2159691040	YQGKLZFZQBCNFJ-HTQZYQBOSA-N	321.399	0.970	70	10	DCIE	
CNC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)F	2191432811	QYFQVKUHJYTFCL-LURJTMIESA-N	306.271	0.766	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@]12CCOC[C@H]1C2	2194503670	HCSZWZHBIBVTJR-HQJQHLMTSA-N	320.754	0.303	70	10	DCIE	
O=C([C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1CC(CCS(=O)(=O)F)C1	2357628442	YFFDBRKRHWWSOH-DGORSVRFSA-N	303.355	0.558	70	10	DCIE	
CC1(C)COC[C@@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2364436242	FRUCFYQVMFAVEO-ZETCQYMHSA-N	322.770	0.549	70	10	DCIE	
CC(C)[C@H](O)CC(=O)NCCS(=O)(=O)NCC1CCC1	159620564	UNSVNRLQMFEPKJ-GFCCVEGCSA-N	306.428	0.229	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1Cc1cccnc1C(N)=S	159816521	HRVMYJJAIMOWHY-LLVKDONJSA-N	308.407	0.053	70	10	DCIE	
CNC(=O)C(C)(C)CNC(=O)N1CCC[C@@H]1C(=O)NC1CC1	160134170	XPKOLNAEQAZSSO-LLVKDONJSA-N	310.398	0.211	70	10	DCIE	
CN(C)C1(CNS(=O)(=O)c2cn(C)nc2N)CCCC1	160685429	LGPQSUKDDVNSJT-UHFFFAOYSA-N	301.416	0.155	70	10	DCIE	
NC(=O)NCCNC[C@@H](O)COc1ccc(Cl)c(Cl)c1	160965260	JCCCLYIVTKDOQK-MRVPVSSYSA-N	322.192	0.991	70	10	DCIE	
CNC(=O)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Cl)cc1	216019308	XYWWFLPWPYWXEL-ZETCQYMHSA-N	320.754	0.837	70	10	DCIE	
C#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	460096325	QTZMFCPNPZSMKN-UHFFFAOYSA-N	316.335	0.492	70	10	DCIE	
COCCN(C)CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1715961068	YXDUCKYWQXOFEH-UHFFFAOYSA-N	321.374	0.323	70	10	DCIE	
CO[C@H](C)CN[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1774037807	GKYKLMBUSAMQCQ-RKDXNWHRSA-N	321.374	0.416	70	10	DCIE	
O=S(=O)(F)Oc1cc(S)cc(CN2CCNCC2)c1	1887561459	XHEBCLZMJNOOBX-UHFFFAOYSA-N	306.384	0.974	70	10	DCIE	
CC1(C)COCCN1CCn1cc(S(=O)(=O)Cl)cn1	1927080454	VYMJTJRZSPGHML-UHFFFAOYSA-N	307.803	0.921	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@H]1CCCNC1=O	2125953055	FFNZZFTXZJHHJW-ZETCQYMHSA-N	307.759	0.408	70	10	DCIE	
COc1nc(N(C)C[C@H]2[C@@H]3COC[C@@H]32)ncc1[B-](F)(F)F	2174642414	NLKHJXAXMUBCRB-PSVAKVPMSA-N	302.085	0.868	70	10	DCIE	
CC[C@]12CO[C@](C(=O)N3CCN(S(=O)(=O)F)CC3)(C1)C2	2205373813	HCZSPYVPLYDHQS-TXEJJXNPSA-N	306.359	0.304	70	10	DCIE	
CCOC(=O)c1nnc(SCCS(=O)(=O)Cl)o1	2252880543	VWRCYYAEZJZWOE-UHFFFAOYSA-N	300.745	0.907	70	10	DCIE	
O=S(=O)(CCCC1CC1)N[C@H]1CCN(S(=O)(=O)F)C1	2271516124	MDJXPJSNJZMWCM-JTQLQIEISA-N	314.404	0.385	70	10	DCIE	
COCCC[C@H](N)CN1CCn2c(nnc2C(F)(F)F)C1	159512852	RRWUMKSUXDNNTI-VIFPVBQESA-N	307.320	0.866	70	10	DCIE	
CN1C[C@H](NS(=O)(=O)c2cccc(F)c2F)CCC1=O	160062057	UNUICQMZYFZEOW-MRVPVSSYSA-N	304.318	0.864	70	10	DCIE	
CN(C)c1nc(Cl)nc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)n1	160519985	HYJQMAKWLRDKQC-BDAKNGLRSA-N	310.789	0.696	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)CC[C@H]2CCCCN2)CCOC1	160542213	ZTHMWQBLQPJICC-OLZOCXBDSA-N	306.428	0.244	70	10	DCIE	
COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1O)CC2	160622566	PWFZTSTZSHINCA-UTUOFQBUSA-N	323.397	0.342	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC(F)(F)C[C@@H]1CO	1123648078	FLMCMROLHZGMGN-ZCFIWIBFSA-N	312.269	0.515	70	10	DCIE	
CN1C[C@@H](CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1=O	1352887644	RAQQGPRQHOCZAM-QMMMGPOBSA-N	317.342	0.271	70	10	DCIE	
C#CCNC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCC1	1717157049	CBVTWMBUWYUKDG-UHFFFAOYSA-N	313.354	0.548	70	10	DCIE	
CC(F)(F)CS(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2028130174	PIMDSQOLZOPJSN-UHFFFAOYSA-N	309.331	0.735	70	10	DCIE	
Cc1nc(N2CCCS(=O)(=O)CC2)ncc1[B-](F)(F)F	2116131321	WGBOBIPDSWJGAE-UHFFFAOYSA-N	308.114	0.464	70	10	DCIE	
O=[N+]([O-])c1nn(CC2[C@@H]3COC[C@@H]23)cc1S(=O)(=O)Cl	2132391573	AJKADCDGKNYIEM-BQBZGAKWSA-N	307.715	0.611	70	10	DCIE	
CN1C(=O)C[C@H](Oc2ccc(F)cc2S(=O)(=O)Cl)C1=O	2152390243	NQIKJTYNZLDWTI-QMMMGPOBSA-N	321.713	0.889	70	10	DCIE	
CS(=O)(=O)N[C@@H]1CCCN(c2ccncc2[B-](F)(F)F)C1	2172786441	RRMDFOCTDUHTBW-SECBINFHSA-N	322.141	0.654	70	10	DCIE	
CCOCCOCCOc1ncc([B-](F)(F)F)c(OC)n1	2181234944	QCBFSIFGDGDPRM-UHFFFAOYSA-N	309.073	0.972	70	10	DCIE	
O=C(c1ccc(CO)cc1)N1CC(CCS(=O)(=O)F)C1	2199688364	FRXXXJXKFQUYFF-UHFFFAOYSA-N	301.339	0.940	70	10	DCIE	
CN(CC(=O)N1CC(S(=O)(=O)F)C1)c1ccc(Cl)cn1	2199694704	BSIZQIYUIFKSKK-UHFFFAOYSA-N	321.761	0.681	70	10	DCIE	
Cc1cccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1O	2287075466	NAPILYWUVYZBSA-SECBINFHSA-N	302.327	0.719	70	10	DCIE	
CC1(C)CCC[C@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)O1	2287079944	OUGGOFDRKWVKCI-NXEZZACHSA-N	308.375	0.739	70	10	DCIE	
O=C(c1snnc1C1CCC1)N1CC(S(=O)(=O)F)C1	2336014753	MOSSTNPJRDYMDX-UHFFFAOYSA-N	305.356	0.929	70	10	DCIE	
Cn1c([C@H]2COC3(CCC3)CO2)nnc1S(=O)(=O)Cl	2338789133	BMGWYCJTJZZEDC-SSDOTTSWSA-N	307.759	0.753	70	10	DCIE	
COC[C@H](C)CNC(=O)c1cc(S(=O)(=O)Cl)cn1C	115016561	RIHZFMHLCBUXAD-MRVPVSSYSA-N	308.787	0.965	70	10	DCIE	
Cc1ccnc(S(=O)(=O)CCS(=O)(=O)Cl)c1C#N	135214149	ZPMGEZXSDHGMFJ-UHFFFAOYSA-N	308.768	0.604	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1[C@@H](C)C(=O)OC(C)(C)C	160044828	ZOBYIPQMIHRUIG-RYUDHWBXSA-N	300.399	0.944	70	10	DCIE	
Nc1ccccc1S(=O)(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	160067544	SRVDQVJWLBLNSY-ZYHUDNBSSA-N	309.391	0.558	70	10	DCIE	
O=S1(=O)CC[C@H](NCc2nc([C@@H]3CCCS3)no2)C1	160590210	SRRQQKFTWHOWGF-IUCAKERBSA-N	303.409	0.914	70	10	DCIE	
CNCCn1nc(C)c(S(=O)(=O)NC[C@H]2C[C@H]2C)c1C	160807203	FPQASQXIXRVNHJ-BXKDBHETSA-N	300.428	0.654	70	10	DCIE	
COC[C@@H](O)CCNC(=O)c1ccccc1OCCN(C)C	161339027	LSSAWNWJRCUVCS-ZDUSSCGKSA-N	310.394	0.754	70	10	DCIE	
C[C@H]1CN(CCCS(=O)(=O)Cl)C[C@@H](C)S1(=O)=O	400877276	NKGSQLGYAWUBGZ-DTORHVGOSA-N	303.833	0.453	70	10	DCIE	
CN(CCS(=O)(=O)F)S(=O)(=O)c1ccc(F)c(F)c1	883953001	DFEDGFXPSVRHDN-UHFFFAOYSA-N	317.310	0.885	70	10	DCIE	
CC(=O)NC/C=C/CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1533329302	YGOGVAZWQXGQPH-NSCUHMNNSA-N	303.315	0.095	70	10	DCIE	
N#Cc1ccc(NNC(=O)c2cc(S(=O)(=O)F)c[nH]2)nc1	1651593661	WZBLAAIGPFVVBJ-UHFFFAOYSA-N	309.282	0.696	70	10	DCIE	
O=C(c1ccc(F)c(F)c1)N1CCN(S(=O)(=O)F)CC1	1974001661	YEKVRRDWHIZXMA-UHFFFAOYSA-N	308.281	0.937	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@@H]3OCCN(C)[C@H]3C2)n1	2172762994	OFFLKSDRWOQCGK-QWRGUYRKSA-N	301.101	0.359	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1C[C@H]2C[C@H]2CO1	2179429645	PMULQUXELGWUNO-CSMHCCOUSA-N	320.754	0.301	70	10	DCIE	
Cn1nccc1C=CC(=O)N1CC(CCS(=O)(=O)F)C1	2199698646	PPGYAEFXYKKGGV-UHFFFAOYSA-N	301.343	0.581	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CC(F)(F)C(=O)N1	2344975791	ZEKFNVGQYUAUBC-LURJTMIESA-N	313.713	0.643	70	10	DCIE	
C[C@H](N)[C@@H]1CCN(c2cnn(CCN(C)C)c(=O)c2Cl)C1	160002317	IGCIODPDHVJPOX-WDEREUQCSA-N	313.833	0.632	70	10	DCIE	
CNCc1c(N2CCOC[C@H]2C(=O)NC)nc2sccn12	160154987	PZHRLOYZCNLJOS-JTQLQIEISA-N	309.395	0.066	70	10	DCIE	
Nc1cccc(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c1Cl	160332384	CBNIUUIIQQQDRA-ZDUSSCGKSA-N	308.725	0.346	70	10	DCIE	
O=C(CNC(=O)NCc1ccc(Cl)cc1)NC1(CO)CC1	160357090	WIDLFNKKSDYSHS-UHFFFAOYSA-N	311.769	0.780	70	10	DCIE	
CC(C)CC(=O)NCCC(=O)NC[C@H](O)CN1CCCCC1	160533249	AEJOPCNEFZIHSO-AWEZNQCLSA-N	313.442	0.502	70	10	DCIE	
C[C@H](NC(=O)N1CCN(CCN)CC1)Oc1ccc(O)cc1	217277673	PSSICUKNIJZCOU-GFCCVEGCSA-N	308.382	0.403	70	10	DCIE	
O=S(=O)(C1CC1)N(CCN1CCOCC1)C1CCOCC1	217285470	QBGNOCRPGFRCJL-UHFFFAOYSA-N	318.439	0.292	70	10	DCIE	
O=C1C[C@]2(CCCS(=O)(=O)C2)[C@H](CS(=O)(=O)Cl)O1	675052240	BWUUPXMXOWMFSX-CBAPKCEASA-N	316.784	0.066	70	10	DCIE	
CC[C@@H]1C[C@H](NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)CO1	688460374	ZERKDBUUPKEKLP-JGVFFNPUSA-N	321.786	0.943	70	10	DCIE	
Cn1cc(C(=O)N2CC(CS(=O)(=O)F)C2)c(C(F)F)n1	1968227010	JZSJMMYHGVKMAA-UHFFFAOYSA-N	311.285	0.729	70	10	DCIE	
O=C(CCn1cnc(S(=O)(=O)Cl)c1)N1CCOCC1	2117132622	KWITVMOPWOBPQL-UHFFFAOYSA-N	307.759	0.060	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC1[C@H]2COC[C@H]12	2132393296	SRWIJTRSTNWWKJ-RKDXNWHRSA-N	306.771	0.849	70	10	DCIE	
Cc1nc(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)c(C)o1	2160523344	FJEZOATUESIBLO-UHFFFAOYSA-N	302.287	0.357	70	10	DCIE	
CCn1nnc(CN(C)c2ncc([B-](F)(F)F)c(C)n2)n1	2197853351	PQJHGLQKRQYHDE-UHFFFAOYSA-N	300.077	0.482	70	10	DCIE	
CC1(C)CCC[C@@H](C(=O)NCC2CN(S(=O)(=O)F)C2)O1	2235195924	JMODULMHVXNLQE-JTQLQIEISA-N	308.375	0.596	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1C[C@@H](Br)C1	2243727258	HUKSETCNBQDXGD-OLQVQODUSA-N	315.164	0.175	70	10	DCIE	
C#CCN(OC)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	2270646934	AMIQDIYKEQKQPQ-UHFFFAOYSA-N	307.324	0.530	70	10	DCIE	
O=C(N1CC[C@H](S(=O)(=O)F)C1)[C@@]1(O)C[C@H]1C(F)(F)F	2344049534	WXFCZHNAOLBHKE-SHYZEUOFSA-N	305.249	0.200	70	10	DCIE	
Cc1[nH]nc(C(=O)OC[C@@H]2CCCO2)c1S(=O)(=O)Cl	115022109	VAKLCHWMTNEFHI-ZETCQYMHSA-N	308.743	0.981	70	10	DCIE	
CCOC(=O)[C@@H](C[C@H](CO)NC(=O)OC(C)(C)C)OCOC	217832019	DFUAIQRNADJQDV-GHMZBOCLSA-N	321.370	0.814	70	10	DCIE	
COCCn1c([C@@H](OC)C2CC2)nnc1S(=O)(=O)Cl	703130099	KOKGFIFXNMWYJU-QMMMGPOBSA-N	309.775	0.950	70	10	DCIE	
CP(C)(=O)CCC(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2258976453	RBWJPBBETWPRNB-QMMMGPOBSA-N	300.292	0.404	70	10	DCIE	
O=C(Nc1nnnn1C1CC1)c1cccc(S(=O)(=O)F)c1	1526505313	XWXQJFPIUROXOW-UHFFFAOYSA-N	311.298	0.919	70	10	DCIE	
COC(=O)Cc1csc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)n1	160843160	CQVQMATZESGDQB-MWLCHTKSSA-N	309.391	0.964	70	10	DCIE	
CC(C)(CO)CNS(=O)(=O)CCOc1ccccc1N	160043502	AYOJTHRYRJXIBI-UHFFFAOYSA-N	302.396	0.586	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2COCC[C@H]2C)c1S(=O)(=O)Cl	2152555394	VTBPSSNNCWZHKM-SVRRBLITSA-N	321.786	0.800	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)CC2CC(F)C2)C1	2031637534	WGODGHKKGBUWBX-HACHORDNSA-N	303.352	0.438	70	10	DCIE	
COCCn1c(C[C@@H]2OCC[C@H]2C)nnc1S(=O)(=O)Cl	2157321132	UNTFFRVHHLGULH-BDAKNGLRSA-N	323.802	0.820	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CN(C)C(=O)O1	2182344372	PKQDCLAPAJZCND-ZETCQYMHSA-N	323.758	0.408	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1nnc(Cl)s1	2062522768	OPNFVNDCQZMNOL-UHFFFAOYSA-N	314.751	0.067	70	10	DCIE	
CCc1nn(C[C@@H]2CC(=O)N2)c(CC)c1S(=O)(=O)Cl	2092752011	QNGQTJNDVPORDR-ZETCQYMHSA-N	305.787	0.824	70	10	DCIE	
COC[C@]12CN(c3ncncc3[B-](F)(F)F)C[C@@H]1CCO2	2239905146	VFNFJMHIVXZXHC-JOYOIKCWSA-N	302.085	0.773	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CCCCC1(F)F	2268803370	FIZMGUDTXVMCKI-QMMMGPOBSA-N	300.302	0.827	70	10	DCIE	
O=C(NC1CC1)[C@@H]1COCCN1C(=O)c1ccc(Cl)nc1	159516497	IFGWLNXUESIRAN-NSHDSACASA-N	309.753	0.855	70	10	DCIE	
CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(N)cc(C)c1F	159521863	ZVFWZYQLOHZDKZ-JTQLQIEISA-N	315.370	0.615	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)[C@](C)(N)C(F)(F)F	159602596	RXVLNMHSRNCSRV-KCJUWKMLSA-N	311.304	0.020	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1C(=O)[C@@H](N)c1cccs1	159700394	GMHWLSVYEAXMGO-JQWIXIFHSA-N	311.407	0.500	70	10	DCIE	
Cc1nc(CC(=O)Nc2cn(C)c(=O)n(C)c2=O)c(C)s1	160233340	JMSHPXUMROTACT-UHFFFAOYSA-N	308.363	0.339	70	10	DCIE	
CCCS(=O)(=O)N[C@H](C)C(=O)NCC1(CO)CCCC1	160330045	JLTQPJRGKHXBOY-LLVKDONJSA-N	306.428	0.373	70	10	DCIE	
Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)n[nH]1	161182243	SORNLPFDAJZMOT-MWLCHTKSSA-N	316.365	0.542	70	10	DCIE	
Cc1cc(S(=O)(=O)Cl)cc(C)c1OCC(=O)NC(N)=O	215631067	KXUWLSYXZORVQH-UHFFFAOYSA-N	320.754	0.805	70	10	DCIE	
O=C1NCC[C@H]1CCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	395925315	POWPBIPGOJGEIX-LURJTMIESA-N	322.730	0.245	70	10	DCIE	
CC[C@H]1COC[C@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	699751818	LVUURCWOUGDEGE-JGVFFNPUSA-N	321.786	0.800	70	10	DCIE	
O=S(=O)(Cl)c1ccc(S(=O)(=O)N2CC(F)C2)cc1	1917261526	JTMDZNVNENIGPT-UHFFFAOYSA-N	313.759	0.957	70	10	DCIE	
CC(C)(F)CS(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2028129097	MLNBLAJNCWKTPY-UHFFFAOYSA-N	305.368	0.828	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@@H]1CCN(C)C1=O	2125953353	IRIOKMOWCZJLAI-SSDOTTSWSA-N	307.759	0.360	70	10	DCIE	
C[C@@](F)(C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)C(F)(F)F	2271493348	DPADDTWGXQBYJT-CAHLUQPWSA-N	310.244	0.682	70	10	DCIE	
Cc1ccc(C)c(CC(=O)NC2CN(S(=O)(=O)F)C2)c1	2284142224	MUOUSHLGRFCPDA-UHFFFAOYSA-N	300.355	0.861	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccc(O)cc1O	2287075065	KZPOEFKXPSAMTK-ZETCQYMHSA-N	304.299	0.116	70	10	DCIE	
Cc1ccnc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c1[B-](F)(F)F	2336519659	HKSOMDUJNOBZLQ-IUCAKERBSA-N	305.110	0.678	70	10	DCIE	
O=c1[nH]c(=O)n(CCC[C@@H]2CCCO2)cc1S(=O)(=O)Cl	115667856	HYWWYLZLOATGQF-MRVPVSSYSA-N	322.770	0.423	70	10	DCIE	
COCCn1ncc(N2C[C@@H](CN)C[C@H]2C)c(Cl)c1=O	159983635	DKYGLZGPENDXNS-NXEZZACHSA-N	300.790	0.717	70	10	DCIE	
Cc1cc(N)cc(C)c1S(=O)(=O)NCCNC(=O)N(C)C	160693633	ZEIIVZXVLDRWHN-UHFFFAOYSA-N	314.411	0.435	70	10	DCIE	
CN[C@H](c1c(Cl)cnn1CCN(C)C)[C@@H]1CN(C)CCO1	161049952	DZBLSQKEKZLYQS-STQMWFEESA-N	315.849	0.689	70	10	DCIE	
COC[C@H](NC(=O)c1cccc(S(N)(=O)=O)c1C)C1CC1	161249738	RPSLJZUMHKXXHQ-LBPRGKRZSA-N	312.391	0.797	70	10	DCIE	
CC(C)OCCNC(=O)c1cc(F)cc(S(N)(=O)=O)c1F	161478037	QHUKFRZNOQJLNW-UHFFFAOYSA-N	322.333	0.767	70	10	DCIE	
Cc1noc(C)c1CCC(=O)N1Cc2cnn(CCO)c2C1	217210617	OYJSKPBLJCPFME-UHFFFAOYSA-N	304.350	0.955	70	10	DCIE	
CNc1nc(N2CCn3nc(CO)cc3C2)nc2c1CCC2	217215030	UDAQMYREKNKNCT-UHFFFAOYSA-N	300.366	0.716	70	10	DCIE	
CCC(CC)NC(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1	217304972	RPDAZOKKJGUFPD-ZDUSSCGKSA-N	319.471	0.935	70	10	DCIE	
COCCn1c([C@@H](C)n2cncn2)nnc1S(=O)(=O)Cl	234670067	XBDMGMAOCVPMTR-SSDOTTSWSA-N	320.762	0.053	70	10	DCIE	
COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1462274122	WHLYIWOJTMEDSJ-UHFFFAOYSA-N	317.298	0.202	70	10	DCIE	
CO[C@H](C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F)C1CCC1	1923163114	BDKZOVXJTVFPHB-VIFPVBQESA-N	305.331	0.254	70	10	DCIE	
C[C@@H]1COCC[C@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394203	FKRGRUIUTZQTLK-MWLCHTKSSA-N	308.375	0.454	70	10	DCIE	
C[C@@H](CCCN(C)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cl	2037937129	VXNAPOUNVDPSPY-UWVGGRQHSA-N	317.860	0.843	70	10	DCIE	
O=S1(=O)C[C@H]2CN(c3nc([B-](F)(F)F)cs3)C[C@@H]2C1	2052596682	CYUHDXJTFJLXNG-RNFRBKRXSA-N	311.139	0.678	70	10	DCIE	
CCCN(CCC)S(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2088469954	SDXOQOHKVIMMOY-JTQLQIEISA-N	316.420	0.727	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2[C@@H]3CCOC[C@H]32)c1S(=O)(=O)Cl	2150119920	BALVXLMKFNVMDW-BWZBUEFSSA-N	319.770	0.410	70	10	DCIE	
O=S(=O)(F)c1ccc(NS(=O)(=O)c2cccnn2)cn1	2166520618	BFCZCGNSZLQNPE-UHFFFAOYSA-N	318.311	0.331	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCCN(C3COC3)CC2)nc1	2172781874	KBAHEJRWDXWGCM-UHFFFAOYSA-N	301.101	0.442	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1COc2ccccc21	2284151717	SOHCWFJKEGSFAD-JTQLQIEISA-N	300.311	0.177	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2C[C@@H]3[C@H](C2)CS3(=O)=O)n1	2361532462	JLNNFRIGFLXQGF-RKDXNWHRSA-N	320.125	0.381	70	10	DCIE	
Cc1ccc(F)cc1S(=O)(=O)NCCS(=O)(=O)Cl	124149711	FYISSZZBKRRBBG-UHFFFAOYSA-N	315.775	0.981	70	10	DCIE	
CS(=O)(=O)CC[C@@H](N)C(=O)N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217877049	WGRWPMZRYKFFIV-PRSXHHODSA-N	314.451	0.689	70	10	DCIE	
Cc1nn(C[C@H]2CN(C)CCO2)c(C)c1S(=O)(=O)Cl	215746346	AANCGDYWVHXSBH-SNVBAGLBSA-N	307.803	0.758	70	10	DCIE	
CC(C)[C@@H](O)C(C)(C)C(=O)N1CCN(S(=O)(=O)F)CC1	2365776392	NCODQUDDNFAOJW-SNVBAGLBSA-N	310.391	0.388	70	10	DCIE	
CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)F)[C@H]2COC[C@H]12	1954655467	HLECCPUBUJXXML-HLTSFMKQSA-N	310.347	0.425	70	10	DCIE	
Cc1nccnc1Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	687297120	ZLBYUBUJFOEQGL-UHFFFAOYSA-N	317.714	0.866	70	10	DCIE	
C[C@@H]1CCC[C@@H]1S(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2118899140	WXOPXCUOOMXTOH-SCZZXKLOSA-N	314.404	0.241	70	10	DCIE	
C[C@H](C(=O)NC1CC1)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215925094	KDLMPDFCBHBFHK-RXMQYKEDSA-N	322.730	0.558	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ccn2nccc2n1	169266598	DHNRWTWWXJDCJV-UHFFFAOYSA-N	309.756	0.072	70	10	DCIE	
COc1ccc(CC(=O)NC[C@@H]2C[C@@H]2C)cc1S(N)(=O)=O	160321502	QPYICIJKRWFRCC-ONGXEEELSA-N	312.391	0.657	70	10	DCIE	
O=C(COc1ccccc1F)N1CC(CS(=O)(=O)F)C1	1968216246	VGOPUUJQPIIWRJ-UHFFFAOYSA-N	305.302	0.962	70	10	DCIE	
CCOC(=O)c1nnn(CCCS(C)(=O)=O)c1C(F)F	159595329	CHIDUBGWWUIQHA-UHFFFAOYSA-N	311.310	0.827	70	10	DCIE	
COc1cc(CNCCCS(N)(=O)=O)cc2c1OCO2	159899441	DNRLUHXZRCOXBN-UHFFFAOYSA-N	302.352	0.192	70	10	DCIE	
O=C(N1CCN(S(=O)(=O)F)CC1)[C@@]12CCC[C@@H]1CSC2	2201878089	TXOPRSMFHXMWDX-ZYHUDNBSSA-N	322.427	0.878	70	10	DCIE	
Cc1ncnc(OCCN2CCOC[C@@H]2C)c1[B-](F)(F)F	2285422277	LAKLBMXAWHRSTA-VIFPVBQESA-N	304.101	0.939	70	10	DCIE	
CCCc1c(O)[nH]c(=O)n(CCCCOCCOC)c1=O	160595136	CNOSZJRPMJQLDT-UHFFFAOYSA-N	300.355	0.638	70	10	DCIE	
COC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1	160992222	UQBWDLJBVVWBFS-GHMZBOCLSA-N	307.354	0.188	70	10	DCIE	
CC1(C)C(=O)NC(=O)CN1S(=O)(=O)/C=C\c1ccccc1	217901428	SNWKZZQGCUTQIZ-HJWRWDBZSA-N	308.359	0.724	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ccc(C(F)F)nn1	2033036128	KRLFYUCIDGLTOT-UHFFFAOYSA-N	320.726	0.757	70	10	DCIE	
CS(=O)(=O)NC1CCN(c2ncc([B-](F)(F)F)cn2)CC1	2172774956	VEWGNSTVMMTSRU-UHFFFAOYSA-N	323.129	0.049	70	10	DCIE	
C[C@]12CO[C@](Cn3cc(S(=O)(=O)Cl)c(O)nc3=O)(C1)C2	2194211553	JYWVNJPIWYWLMB-PHIMTYICSA-N	320.754	0.446	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CCS(=O)(=O)C[C@H]2C)n1	2280641445	OFAVWWPWGUCURM-MRVPVSSYSA-N	323.125	0.768	70	10	DCIE	
CC12CC(C1)[C@H](C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)CO2	2362910558	PRXKGDQUHFAIST-MBPTXSFVSA-N	306.359	0.206	70	10	DCIE	
CS(=O)(=O)C1CCN(CCCS(=O)(=O)Cl)CC1	383890427	LVXLAUHEAKHENO-UHFFFAOYSA-N	303.833	0.454	70	10	DCIE	
O=S1(=O)CCON(c2ncc(F)cc2[B-](F)(F)F)CC1	2132073740	PCYRZIASEDUTQO-UHFFFAOYSA-N	313.061	0.442	70	10	DCIE	
C=CCN[C@@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1317405819	LZKUVUFSAAKYBS-VIFPVBQESA-N	303.359	0.957	70	10	DCIE	
CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1	1349067032	LZZILTBLKLHVCA-RYUDHWBXSA-N	315.370	0.982	70	10	DCIE	
C[C@H]1CN(c2ncncc2[B-](F)(F)F)C[C@@H](C)S1(=O)=O	2116147834	HZHMRXWADONTBA-OCAPTIKFSA-N	308.114	0.543	70	10	DCIE	
CCN[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1490714757	YVOKWYBLLKXCGO-NSHDSACASA-N	303.359	0.791	70	10	DCIE	
CCOCCN(C)C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	158320192	KZSIJOACFPMROH-UHFFFAOYSA-N	309.775	0.754	70	10	DCIE	
CSc1nc(N)cc(N2CCOC[C@@H]2C(=O)NC(C)C)n1	160577472	PVMRHIBOPSAFFZ-SECBINFHSA-N	311.411	0.511	70	10	DCIE	
O=C(CN1CC[C@@]2(O)CCCC[C@H]2C1)NCC(=O)N1CCCC1	160616276	JXQFJNILFGWMDS-YOEHRIQHSA-N	323.437	0.352	70	10	DCIE	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NC2CC(O)C2)c1C	159700116	FLWFMCUZNWBLQG-UHFFFAOYSA-N	316.379	0.610	70	10	DCIE	
Cc1ncnc(C)c1C(=O)N1CCC[C@@H](S(=O)(=O)F)C1	1968226371	AZBSPBSPXJIMBR-SNVBAGLBSA-N	301.343	0.997	70	10	DCIE	
CN(c1ccc([B-](F)(F)F)cn1)[C@@H]1CCN(S(C)(=O)=O)C1	2172784347	BYWDGAVOPLTHNQ-SNVBAGLBSA-N	322.141	0.606	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C[C@@H]1C(F)F	2112725668	ZBPOPUOUXXHHKD-JGVFFNPUSA-N	300.302	0.683	70	10	DCIE	
COC[C@@]1(C)C[C@@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2284673414	ZPKRJAJLTXXDOO-RDDDGLTNSA-N	322.770	0.549	70	10	DCIE	
CCc1c(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cnn1C	2287080277	YUYOMLNCYPRFME-QMMMGPOBSA-N	304.347	0.001	70	10	DCIE	
O=C(N[C@H]1[C@@H]2CCCO[C@@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2330735415	PNIXALXVUMRZBK-HGNGGELXSA-N	304.755	0.849	70	10	DCIE	
Cc1[nH]nc(C(=O)OC[C@H]2CCOC2)c1S(=O)(=O)Cl	115022405	SOIQGLLIGCQULW-ZETCQYMHSA-N	308.743	0.839	70	10	DCIE	
CC(C)(C)OCCn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	133412391	GAVYFHLDNYMIGE-UHFFFAOYSA-N	310.759	0.279	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2O3)c1S(=O)(=O)Cl	133537882	UGGQRRFOMNZQCM-FXQIFTODSA-N	319.770	0.695	70	10	DCIE	
CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1c(C)cccc1C	159475655	SHLFZYQPXDZKSM-GFCCVEGCSA-N	303.362	0.979	70	10	DCIE	
CCN(CCO)C(=O)[C@H]1CCC[C@H]1C(=O)N(CC)CCO	159817994	COELAKPZVDKBTD-BETUJISGSA-N	300.399	0.084	70	10	DCIE	
CC[C@]1(C(=O)Nc2ncc(S(=O)(=O)F)s2)CCNC1=O	1534287335	QNDRGTCMUUSAJN-JTQLQIEISA-N	321.355	0.656	70	10	DCIE	
Cc1cncn1CC(=O)Nc1ncc(S(=O)(=O)F)s1	1543644498	MYSGOTIVGWCGRI-UHFFFAOYSA-N	304.328	0.945	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2O)cc1	1614994802	IVNNQUAQUXEQTK-GHMZBOCLSA-N	323.367	0.537	70	10	DCIE	
CNC(=O)c1[nH]nc(Br)c1S(=O)(=O)Cl	1888452647	XFGQRDBCAXBBJO-UHFFFAOYSA-N	302.537	0.459	70	10	DCIE	
O=C(NC[C@H]1[C@H]2COCC[C@@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2150069901	WLVBSROLPCRLAF-BBBLOLIVSA-N	318.782	0.955	70	10	DCIE	
O=C(N1CCN(S(=O)(=O)F)CC1)[C@]12CCC[C@@H]1OCC2	2163668517	YFRSRQNVARTKRS-JQWIXIFHSA-N	306.359	0.304	70	10	DCIE	
Cc1cc(N2C[C@H]3OCCN(C)[C@@H]3C2)ncc1[B-](F)(F)F	2172780534	RNLOQYAFNLYOFZ-VXGBXAGGSA-N	300.113	0.964	70	10	DCIE	
COCCN1CCCN(c2ncncc2[B-](F)(F)F)CC1	2172784141	AQPYFISLQKHPQD-UHFFFAOYSA-N	303.117	0.690	70	10	DCIE	
Cc1cc(O[C@@H]2CC(=O)N(C)C2=O)ccc1S(=O)(=O)F	2191426349	OCIONRCLHWHBEZ-SECBINFHSA-N	301.295	0.789	70	10	DCIE	
O=C1NCC[C@H]1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)F	2191433115	UGYAMRFWHQGFSK-MRVPVSSYSA-N	304.255	0.520	70	10	DCIE	
C[C@@H]1OCC[C@@H]1CC(=O)NC1CCN(S(=O)(=O)F)CC1	2196351513	DHRFUMMGNCUAGJ-VHSXEESVSA-N	308.375	0.596	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C1CC(C(F)(F)F)C1	2287070023	DFSYKONNCPNVBD-KAVNDROISA-N	318.292	0.980	70	10	DCIE	
COCc1csc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1	2287075368	CETKLFZWOPVFME-SECBINFHSA-N	322.383	0.913	70	10	DCIE	
COCCn1nnnc1-c1ccc(S(=O)(=O)Cl)cc1	107056399	DAGPUEUONMMSQZ-UHFFFAOYSA-N	302.743	0.914	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2CCCOC2)c1S(=O)(=O)Cl	115798872	QKVWZBNRBUEKMB-QMMMGPOBSA-N	321.786	0.802	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1C(=O)[C@](C)(CC)C(N)=S	159772671	FVCKWXOZTOQLDM-NOZJJQNGSA-N	301.412	0.052	70	10	DCIE	
Cc1c(F)cc(CN)cc1S(=O)(=O)NCCCN(C)C	217434320	UOARHAPRAOOXGD-UHFFFAOYSA-N	303.403	0.823	70	10	DCIE	
COCCN(CC[C@@H](NC1CC1)C(=O)OC)[C@@H](C)COC	218658766	MXWULUWURJBNTC-GXTWGEPZSA-N	302.415	0.653	70	10	DCIE	
Cc1nnc(Cn2nc([N+](=O)[O-])c(S(=O)(=O)Cl)c2C)[nH]1	312433845	BLDSATGHPSVONY-UHFFFAOYSA-N	320.718	0.502	70	10	DCIE	
CS(=O)(=O)CC1CCN(CCCS(=O)(=O)Cl)CC1	386813398	OCXFMDKCRGCXJE-UHFFFAOYSA-N	317.860	0.702	70	10	DCIE	
Cc1nccnc1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	687297260	PKQUGQDTGJJZGY-UHFFFAOYSA-N	316.726	0.023	70	10	DCIE	
CS(=O)(=O)N1CC[C@H](n2cc(S(=O)(=O)Cl)cn2)C1	689692768	ZILJCBXHPUFKLM-ZETCQYMHSA-N	313.788	0.017	70	10	DCIE	
CCC(=O)N(C)CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1689050632	DUMNJGGCWZSIMW-UHFFFAOYSA-N	319.358	0.613	70	10	DCIE	
COC[C@H](C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2028131124	SFZIJHZGFRRDSX-DTWKUNHWSA-N	303.377	0.115	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@](C)(F)C(C)(C)F)[nH]1	2169001351	GFPRGNNAQGXCJB-SNVBAGLBSA-N	313.301	0.915	70	10	DCIE	
Cc1nc(N2CCO[C@@H]3COCC[C@@H]32)ncc1[B-](F)(F)F	2172764374	BSCGKPLNYBQBDJ-WDEREUQCSA-N	302.085	0.834	70	10	DCIE	
CCS(=O)(=O)N1CCN(c2ncccc2[B-](F)(F)F)CC1	2172778294	NPUPIOUXLNOXGC-UHFFFAOYSA-N	322.141	0.608	70	10	DCIE	
Cc1cc(N2C[C@@H]3OCCN(C)[C@H]3C2)ncc1[B-](F)(F)F	2172780533	RNLOQYAFNLYOFZ-RYUDHWBXSA-N	300.113	0.964	70	10	DCIE	
Cc1ccnc(N2CC(N(C)C3COC3)C2)c1[B-](F)(F)F	2173110971	CNOQLSGHGBLHEH-UHFFFAOYSA-N	300.113	0.964	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCN1CCCC1=O	2182345144	WQUIUCOGEXSWSD-UHFFFAOYSA-N	321.786	0.579	70	10	DCIE	
O=C(c1nnn2c1CCCC2)N1CC[C@H](S(=O)(=O)F)C1	2289122138	ZIPHXEOMVFTUMX-QMMMGPOBSA-N	302.331	0.128	70	10	DCIE	
CCCn1cc(S(=O)(=O)N2CC[C@@H](O)[C@H](C)C2)nc1C	159378332	LLHQVOFLLYJKOP-ZYHUDNBSSA-N	301.412	0.993	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)Cc2cccc(CN)c2)CCOC1	160170134	XXTWTSZMWMYKEC-AWEZNQCLSA-N	314.407	0.370	70	10	DCIE	
O=C(NC1(CO)CC1)c1cncc(I)c1	160254645	PYWLZDCGIDMMMD-UHFFFAOYSA-N	318.114	0.941	70	10	DCIE	
CC1(C)[C@@H]2OCC[C@@H]2[C@]1(N)C(=O)NCC(C)(C)S(C)(=O)=O	160664603	USJRTFVTCNVKNE-RBZYPMLTSA-N	318.439	0.068	70	10	DCIE	
C[C@@H](NC(=O)NCCN1CCOCC1)Oc1ccc(O)cc1	217277668	AYZRLBZCOIKXBL-LBPRGKRZSA-N	309.366	0.748	70	10	DCIE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1N1CCN(S(C)(=O)=O)CC1	217961118	LVKDCRVQPVJNJG-KFWWJZLASA-N	317.499	0.976	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CCS(=O)(=O)N(C)C	310713532	VSDKWNABCRQRGS-UHFFFAOYSA-N	315.804	0.010	70	10	DCIE	
CC(C)(C)NC(=S)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1539360470	BONISPDPTDKSDU-UHFFFAOYSA-N	322.387	0.580	70	10	DCIE	
COc1cc(C(=O)NC2CCN(S(=O)(=O)F)CC2)on1	1974394320	HIVGVUXTVOHOCE-UHFFFAOYSA-N	307.303	0.092	70	10	DCIE	
C[C@@H](CCCN1CCS(=O)(=O)[C@H](C)C1)S(=O)(=O)Cl	2037945440	OHKLPZDKRCWRKE-VHSXEESVSA-N	317.860	0.843	70	10	DCIE	
O=C(N1CCC(S(=O)(=O)F)CC1)[C@@]12CCCN(CC1)C2	2144733715	SMRBMJKSRJZODT-ZDUSSCGKSA-N	304.387	0.763	70	10	DCIE	
Cc1nc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)ncc1[B-](F)(F)F	2172765608	UGUCBEVOTPOBET-IUCAKERBSA-N	320.125	0.320	70	10	DCIE	
Cc1c(C(=O)N2CC(CS(=O)(=O)F)C2)cnn1C1CC1	2236655607	ZQCWYKJWNVMKGT-UHFFFAOYSA-N	301.343	0.898	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	2284149534	BLHDBFLVNABLNJ-BWVDBABLSA-N	312.313	0.683	70	10	DCIE	
CC1(C)CCC[C@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)O1	2287079946	OUGGOFDRKWVKCI-VHSXEESVSA-N	308.375	0.739	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1C[C@H]2CC[C@@H]1O2	2354991000	LVRGZQFPEDNLTM-RNJXMRFFSA-N	320.754	0.444	70	10	DCIE	
COc1ccc(F)c(F)c1C(=O)N1CC[C@@H](CO)[C@H](O)C1	216870288	JGMJBTHCBYTSPE-WCBMZHEXSA-N	301.289	0.789	70	10	DCIE	
COC[C@H](C)NC(=O)Cn1cc(S(=O)(=O)Cl)nc1C	215817616	LFRSAUZQYLXBDO-ZETCQYMHSA-N	309.775	0.270	70	10	DCIE	
O=C(Cc1ccc(S(=O)(=O)F)cc1)NCc1cccnn1	1524312683	DUICSUNCSIUUEV-UHFFFAOYSA-N	309.322	0.994	70	10	DCIE	
CN(C)C[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1520702527	ZEXYBHFRELORPV-NSHDSACASA-N	302.331	0.247	70	10	DCIE	
COc1nc(N(C)[C@@H](C)C[S@](C)=O)ncc1[B-](F)(F)F	2116129571	WVLAXDBZCPDQOF-JKNYTWMOSA-N	310.130	0.743	70	10	DCIE	
CCc1cc(S(=O)(=O)CCS(=O)(=O)Cl)nc(C)n1	203537585	PQDQLBXVLGOKOR-UHFFFAOYSA-N	312.800	0.690	70	10	DCIE	
Cc1c(C(=O)Nc2cc(C)n(C)n2)cccc1S(N)(=O)=O	161176124	QQTGYLQOCHXTNC-UHFFFAOYSA-N	308.363	0.937	70	10	DCIE	
C[C@H](NS(C)(=O)=O)C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1	160601717	SKSKMRSTKRRCMI-QWRGUYRKSA-N	314.407	0.719	70	10	DCIE	
Cc1cc(F)c(S(=O)(=O)NCCNC(=O)C2CC2)cc1N	160648206	DGMDCKZIXFRNLH-UHFFFAOYSA-N	315.370	0.521	70	10	DCIE	
CNC(=O)[C@H]1COCCN1c1nc(C)cc(C)c1C(N)=S	159801385	IVZQVTFZHGOMIU-SNVBAGLBSA-N	308.407	0.284	70	10	DCIE	
COC1(c2noc([C@@H](N)CCS(C)(=O)=O)n2)CCOCC1	159425128	SGWSZJRBACSZHU-VIFPVBQESA-N	319.383	0.156	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1C(=O)[C@@H](C(N)=S)C(C)C	159785536	XBKSSEPXCUJRKF-GHMZBOCLSA-N	315.439	0.297	70	10	DCIE	
C[C@@H](CNC[C@H]1CCCN(S(C)(=O)=O)C1)N(C)C1CC1	218679881	XPPMHYAIBRJTDS-QWHCGFSZSA-N	303.472	0.730	70	10	DCIE	
Cn1ccc(S(=O)(=O)N2CC(CCS(=O)(=O)F)C2)c1	2134973130	MSKAUFXFFQUMJF-UHFFFAOYSA-N	310.372	0.335	70	10	DCIE	
O=C(c1cncc(Cl)n1)N1CC(CCS(=O)(=O)F)C1	2134991317	XGRBPKRLGUYVKA-UHFFFAOYSA-N	307.734	0.891	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1C(F)(F)C12CCC2	1974055892	XNAKDPVBTZWBOO-MRVPVSSYSA-N	312.313	0.684	70	10	DCIE	
Cc1ccnc(C#N)c1S(=O)(=O)CCS(=O)(=O)Cl	2035888141	HFRBBVXGTUPMCO-UHFFFAOYSA-N	308.768	0.604	70	10	DCIE	
COCCn1c(C[C@H]2OCC[C@@H]2C)nnc1S(=O)(=O)Cl	2157321133	UNTFFRVHHLGULH-DTWKUNHWSA-N	323.802	0.820	70	10	DCIE	
CCCn1c([C@H]2Cc3nncn3C2)nnc1S(=O)(=O)Cl	2167746276	LGJGIRXATRZGCU-ZETCQYMHSA-N	316.774	0.547	70	10	DCIE	
CCCn1c(-c2cnn(CC)n2)nnc1S(=O)(=O)Cl	2115801904	ICYFPJJPAGXOGX-UHFFFAOYSA-N	304.763	0.894	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1Cc2ccccc2O1	2284150260	IYJMKRHYMDYTSE-NSHDSACASA-N	300.311	0.005	70	10	DCIE	
N#Cc1cnn(-c2ncnc3nc[nH]c23)c1S(=O)(=O)Cl	112360467	OOADHFNLMCWUOR-UHFFFAOYSA-N	309.698	0.338	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)Cc2ccccc2N)CCOC1	159914632	ZPCVZPAWTKLHET-CYBMUJFWSA-N	300.380	0.494	70	10	DCIE	
CCn1ncc(Br)c1[C@H](CS(C)(=O)=O)NN	161413554	FKVIWXAFNJNYSX-ZETCQYMHSA-N	311.205	0.215	70	10	DCIE	
O=C(/C=C\c1ccccc1Br)NC[C@H](O)CO	218220384	PUIMJEDSHYQDOQ-OMMCCPJFSA-N	300.152	0.932	70	10	DCIE	
C[C@@H](Oc1ccccc1)C(=O)NC[C@H](O)Cn1ccccc1=O	218414792	SRQTZHOHCVHUIB-KGLIPLIRSA-N	316.357	0.793	70	10	DCIE	
CO[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@](C)(CO)C1	1123819103	HXXHWBVAVVWYRB-PELKAZGASA-N	320.342	0.285	70	10	DCIE	
C[C@H](CCCN(C)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cl	2037937128	VXNAPOUNVDPSPY-NXEZZACHSA-N	317.860	0.843	70	10	DCIE	
CS(=O)(=O)CS(=O)(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2073783380	VTSHHKACCUXDLK-HTQZYQBOSA-N	320.143	0.632	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1C[C@H]2OCC[C@@H]2C1	2115459330	KBXRLFGCXUBNFV-GMSGAONNSA-N	304.755	0.803	70	10	DCIE	
CN(C[C@@H]1CCS(=O)(=O)C1)c1ncncc1[B-](F)(F)F	2116139378	YTTDWNQCLHFBKT-QMMMGPOBSA-N	308.114	0.402	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCC[C@@H]2F)C1	2118895057	MQUOTTPMILVCNZ-KXUCPTDWSA-N	317.379	0.971	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCN([C@H]2CCOC2)CC1	2172781076	YWYYYVWEPNRTKI-JTQLQIEISA-N	301.101	0.442	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@H]2CCCN(C)C2)c1S(=O)(=O)Cl	2198006475	RHIKYUFDZRRGPH-QMMMGPOBSA-N	321.786	0.897	70	10	DCIE	
COc1ccc(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)cc1	2199686117	LHDKNBVEPRARGQ-UHFFFAOYSA-N	323.367	0.615	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2287070090	DMDNHAFUVPYBDQ-ZZLGJBLRSA-N	302.371	0.683	70	10	DCIE	
CCOC(=O)Cn1ncc(C(=O)OCC)c1S(=O)(=O)Cl	112360418	KXOSRCOWKBINMA-UHFFFAOYSA-N	324.742	0.550	70	10	DCIE	
C[C@H](O)CCNC(=O)[C@@H]1CCC[C@@H]1C(=O)NCC[C@@H](C)O	159548061	YNAFKGYMEVZRFT-FNFFVJSTSA-N	300.399	0.177	70	10	DCIE	
CCCCN(CC(N)=O)c1ccc(S(=O)(=O)NC)c(N)c1	159602585	BYQRYDNNTLZAST-UHFFFAOYSA-N	314.411	0.269	70	10	DCIE	
CNC(=O)[C@H]1COCCN1C(=O)C1(C(N)=S)CCCCC1	159776899	YPKBSWPIUNLHOA-SNVBAGLBSA-N	313.423	0.196	70	10	DCIE	
Cc1ncsc1CCOC[C@H](O)CNCC(C)(C)CO	160163229	GDSUTWZJECGXLP-GFCCVEGCSA-N	302.440	0.980	70	10	DCIE	
O=C(NC[C@@H](O)Cn1ccccc1=O)[C@@H](O)c1ccccc1	218438451	SVZHVDWWTBEIOO-HIFRSBDPSA-N	302.330	0.059	70	10	DCIE	
O=C1CC[C@H](C(=O)Nc2ccccc2S(=O)(=O)F)CN1	706282353	ITEUUKQRFXCNAA-QMMMGPOBSA-N	300.311	0.810	70	10	DCIE	
Cn1nncc1C[S@@](=O)Cc1ccc(S(=O)(=O)F)cc1	857213865	SENKBHSBJXXSJT-IBGZPJMESA-N	317.367	0.922	70	10	DCIE	
CCN(CCNCCOC)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1497456526	QHXVVIBTTZDJQD-UHFFFAOYSA-N	321.374	0.371	70	10	DCIE	
CC(C)CN[C@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1725545559	TZAWLTXOCQHQAV-VIFPVBQESA-N	321.374	0.009	70	10	DCIE	
COc1cncc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)c1	1968226559	DJIXMEFBJZDYFB-NSHDSACASA-N	302.327	0.994	70	10	DCIE	
O=C(c1ccc(CO)cc1)N1CCN(S(=O)(=O)F)CC1	1974001692	YWNYVMVTJVZAQK-UHFFFAOYSA-N	302.327	0.151	70	10	DCIE	
CCCN(CCCS(=O)(=O)Cl)[C@@H]1CCS(=O)(=O)C1	2082080136	WPPUUQNMAZYVHY-SNVBAGLBSA-N	317.860	0.844	70	10	DCIE	
O=C(NC1COC1)c1cc(S(=O)(=O)Cl)cn1C1CC1	2109040010	QRBRZHWMCIBFSW-UHFFFAOYSA-N	304.755	0.879	70	10	DCIE	
O=C(c1cnn2c1CCC2)N1CCC[C@H](S(=O)(=O)F)C1	2167660188	DIGIOYIWWIZUIT-VIFPVBQESA-N	301.343	0.733	70	10	DCIE	
O=C(O)c1cc(S(=O)(=O)F)ccc1OCc1nc[nH]n1	2191414067	MUVFCFFCVFENHU-UHFFFAOYSA-N	301.255	0.740	70	10	DCIE	
CO[C@@H]1CC[C@@H]1CS(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2230963116	YLKAEWRCSSISSU-OPRDCNLKSA-N	315.388	0.115	70	10	DCIE	
O=C(Cc1ccc(F)cc1)N[C@H]1CCN(S(=O)(=O)F)C1	2287065512	NMUGLASXVQGWAD-NSHDSACASA-N	304.318	0.773	70	10	DCIE	
CC(=O)c1c[nH]c(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1	2287067890	FVDSGPZZWVDSBL-SECBINFHSA-N	303.315	0.236	70	10	DCIE	
CCCn1ncc(N2CC(N3CCNCC3)C2)c(Cl)c1=O	159695803	IHRGNFNVFXXTJV-UHFFFAOYSA-N	311.817	0.401	70	10	DCIE	
COc1cc(S(=O)(=O)NC[C@]2(OC)CCOC2)ccc1N	159908448	UUWHTFGQMGXNPU-CYBMUJFWSA-N	316.379	0.361	70	10	DCIE	
CN(C)CCCNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	163299173	ZDMUJWSJRVHFTP-UHFFFAOYSA-N	324.399	0.575	70	10	DCIE	
Cc1cc(S(=O)(=O)Cl)ccc1O[C@@H](C)C(=O)NC(N)=O	215996696	JCWCVJACVGVCHR-ZETCQYMHSA-N	320.754	0.885	70	10	DCIE	
CCN1CCC[C@H]1CNS(=O)(=O)CCCCNC1CC1	217584696	ZHIHXJITDBYKTE-AWEZNQCLSA-N	303.472	0.922	70	10	DCIE	
CC[C@H](N)c1cccc(S(=O)(=O)N(C)C[C@@H](O)COC)c1	218037941	PCFJKGWNZWFEJR-OCCSQVGLSA-N	316.423	0.724	70	10	DCIE	
C#CCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1C1CC1	704281426	VIFVUXBNOIDLJK-UHFFFAOYSA-N	301.755	0.437	70	10	DCIE	
CON1CC[C@H](OC(=O)c2cccc(S(=O)(=O)F)c2)C1=O	1119614911	NQRFSOJMBOUENB-JTQLQIEISA-N	317.294	0.664	70	10	DCIE	
CON1CC[C@@H](OC(=O)c2cccc(S(=O)(=O)F)c2)C1=O	1119614914	NQRFSOJMBOUENB-SNVBAGLBSA-N	317.294	0.664	70	10	DCIE	
C[C@@H]1C[C@@]2(CCS1(=O)=O)CC(=O)N2S(=O)(=O)Cl	1946393463	WDZFODLTVGHINQ-SVRRBLITSA-N	301.773	0.038	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ccc([B-](F)(F)F)cn3)C[C@H]2C1	2116144841	KMWWMIXQROAYLA-IUCAKERBSA-N	305.110	0.617	70	10	DCIE	
Cc1nc(N2CC(NS(C)(=O)=O)C2)ccc1[B-](F)(F)F	2116149015	XTBXDBWPSQLNCI-UHFFFAOYSA-N	308.114	0.182	70	10	DCIE	
CCS(=O)(=O)[C@H]1CCN(c2ncncc2[B-](F)(F)F)C1	2123310167	ZOFNYKWHHGQCPL-QMMMGPOBSA-N	308.114	0.544	70	10	DCIE	
CCn1cc(Cn2cc(S(=O)(=O)Cl)nc2COC)nn1	2182342375	AJKBEUIMPVZJMC-UHFFFAOYSA-N	319.774	0.617	70	10	DCIE	
O=C(O)c1cc(S(=O)(=O)F)ccc1O[C@@H]1CCNC1=O	2191412999	AHWRLQZSFATSNF-SECBINFHSA-N	303.267	0.310	70	10	DCIE	
COc1ccc(CC(=O)NC2CN(S(=O)(=O)F)C2)cc1	2284154309	XYYAVQPAVCMFBP-UHFFFAOYSA-N	302.327	0.252	70	10	DCIE	
CCc1noc(C)c1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287079520	MHGWNOPXGBUZMS-QMMMGPOBSA-N	305.331	0.564	70	10	DCIE	
CC1(O)CCN(S(=O)(=O)CCOc2cccc(N)c2)CC1	160356354	QBMZMYFLOQJFRX-UHFFFAOYSA-N	314.407	0.824	70	10	DCIE	
C[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@H](C)Cc1ccc(O)cc1	160601594	SKSKMRSTKRRCMI-GHMZBOCLSA-N	314.407	0.719	70	10	DCIE	
COCCCS(=O)(=O)NCC(=O)N[C@@H](C)c1ccc(C)o1	160792825	LEQXEEXKFNDHQG-NSHDSACASA-N	318.395	0.721	70	10	DCIE	
CNC(=O)c1cccc(OCC(=O)N[C@H](CO)CC(C)C)c1	161013816	CFHHRNNCVUWOQV-ZDUSSCGKSA-N	308.378	0.948	70	10	DCIE	
COC1CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	388022314	UORCDAHAFNHELO-UHFFFAOYSA-N	309.340	0.364	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)[C@H]2CO[C@H](C)C2)c1S(=O)(=O)Cl	401384399	JJDRIAWYKFZJHI-HTRCEHHLSA-N	321.786	0.895	70	10	DCIE	
O=S1(=O)[C@H]2CC[C@H]1CC(OS(=O)(=O)C(F)(F)F)C2	1880306193	WFBHMZIBKVSKNN-BQBZGAKWSA-N	308.299	0.961	70	10	DCIE	
O=C1C[C@H](COc2ccc([N+](=O)[O-])cc2S(=O)(=O)Cl)N1	2149185988	CDVAYWWWPUVGCF-ZCFIWIBFSA-N	320.710	0.790	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@]2(C)CCCO2)c1S(=O)(=O)Cl	128897421	YZQKUOXYDUGPCP-LLVKDONJSA-N	321.786	0.945	70	10	DCIE	
Cc1nc(NC(=O)CN2CCS(=O)(=O)CC2)cc(C2CC2)n1	159998370	OGDTZDOMJIHYIG-UHFFFAOYSA-N	324.406	0.331	70	10	DCIE	
Cc1noc(CCNC(=O)N2CCCN(CC(F)F)CC2)n1	161496212	CFTFONPQYGIBQT-UHFFFAOYSA-N	317.340	0.903	70	10	DCIE	
CC[C@H](C)NC(=O)Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215929657	TWQBYMPQPOTTPW-LURJTMIESA-N	324.746	0.634	70	10	DCIE	
COc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@H](O)C2)cc1C	216868749	XZPNFDNASQZWPY-VXGBXAGGSA-N	301.364	0.120	70	10	DCIE	
COCCN(C)C1CN(CCC[C@H](C)S(=O)(=O)Cl)C1	1877407740	RZPZIEKYGYGXIT-NSHDSACASA-N	312.863	0.986	70	10	DCIE	
Cc1cc(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)c(C)o1	1923172618	AKVWYLKCQQWYAK-UHFFFAOYSA-N	301.299	0.962	70	10	DCIE	
CC(C)[C@H](C#N)CS(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	1926329418	WXHWAGCVOOOQBL-ZJUUUORDSA-N	312.388	0.486	70	10	DCIE	
Cn1nc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)cc1C(F)F	1968235755	OQUCDAONRGQHRD-LURJTMIESA-N	311.285	0.872	70	10	DCIE	
Cc1ncc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)F)C2)[nH]1	2088470826	AZKZGVIEWGMCOZ-QMMMGPOBSA-N	311.360	0.171	70	10	DCIE	
CCOCCCS(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2134977540	UOMOASTYOWXVRO-UHFFFAOYSA-N	317.404	0.364	70	10	DCIE	
O=C([C@@H]1CCc2nc[nH]c2C1)N1CC[C@H](S(=O)(=O)F)C1	2144731955	AAMKIMLQGOTQOG-BDAKNGLRSA-N	301.343	0.415	70	10	DCIE	
COCCn1c(C[C@@H]2CO[C@H](C)C2)nnc1S(=O)(=O)Cl	2159411035	HHRRWYRVMWSLSR-RKDXNWHRSA-N	323.802	0.820	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2O[C@H]3C=C[C@H]2C3)cc1	2199148433	YDPVTMOSZFBZQO-IUCAKERBSA-N	319.335	0.978	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cc2cccnc2s1	2284151449	QLFKXDRTRURIDJ-UHFFFAOYSA-N	315.351	0.925	70	10	DCIE	
O=[N+]([O-])c1ncccc1OCCOCCS(=O)(=O)Cl	112356708	CTAFXZONRJPIKJ-UHFFFAOYSA-N	310.715	0.954	70	10	DCIE	
Cn1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)F)nc2)c1	2166544881	REAOMERVNLALTR-UHFFFAOYSA-N	319.339	0.879	70	10	DCIE	
CCc1[nH]nc(C(=O)NCCOC2CC2)c1S(=O)(=O)Cl	714985993	CZGWFQSYMNFNKV-UHFFFAOYSA-N	321.786	0.808	70	10	DCIE	
C#CCCNC[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1319246859	ULCWEMAVDKKKRD-JTQLQIEISA-N	315.370	0.652	70	10	DCIE	
C[C@@H](Oc1ccc(C(=O)O)cc1S(=O)(=O)Cl)C(N)=O	215617859	PHYZZDQWGBELII-RXMQYKEDSA-N	307.711	0.565	70	10	DCIE	
COCCCOC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1345748228	NJYNLITXGYJDMW-UHFFFAOYSA-N	320.342	0.550	70	10	DCIE	
O=S1(=O)CC[C@@H]2CN(c3ncncc3[B-](F)(F)F)C[C@@H]21	2116150073	LLAPYPRQVLRBDA-APPZFPTMSA-N	306.098	0.154	70	10	DCIE	
C[C@@]1(C(=O)Nc2ncc(S(=O)(=O)F)s2)CCNC(=O)C1	1530981184	DKGFVXIWPBALAR-SNVBAGLBSA-N	321.355	0.656	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1ccc(F)c(N)c1	161020949	BAMQNPVOPCXKLD-UHFFFAOYSA-N	318.370	0.570	70	10	DCIE	
COC(=O)CN1CCN(C(=O)c2cccc(N)c2Cl)CC1	160283447	HGAZIYVGWGQYAG-UHFFFAOYSA-N	311.769	0.853	70	10	DCIE	
Cc1cc(S(=O)(=O)NCCNC(=O)N(C)C)cc(N)c1C	160698525	NFJJBEOQWMBWOB-UHFFFAOYSA-N	314.411	0.435	70	10	DCIE	
CCCn1ncc(N2CCN(C3CNC3)CC2)c(Cl)c1=O	159694052	RJCZIWHWEVVWNK-UHFFFAOYSA-N	311.817	0.401	70	10	DCIE	
CC[C@H](C)[C@@H](O)CNC(=O)c1cccc(S(N)(=O)=O)c1C	159395594	BDVZOOQKRYHBDB-CABZTGNLSA-N	314.407	0.779	70	10	DCIE	
C[C@H](CO)S(=O)(=O)NCCc1ccc2c(c1)OCCO2	217760494	VTTRMPCTKRLQQP-SNVBAGLBSA-N	301.364	0.301	70	10	DCIE	
CCCc1c(-c2nnc(S(=O)(=O)Cl)n2C)nnn1C	1923535270	AYYLIWPFRLNLTH-UHFFFAOYSA-N	304.763	0.491	70	10	DCIE	
COC(=O)CCCS(=O)(=O)NCc1ccc(CN)cc1	159585720	ATLLPWAILOUWNX-UHFFFAOYSA-N	300.380	0.518	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cn1)[C@H]1CCN(S(C)(=O)=O)C1	2172772259	KZRPALSPSPFBLR-VIFPVBQESA-N	323.129	0.001	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@H]1CCCCNC1=O	2182343862	PFELEJAQMLRYIU-QMMMGPOBSA-N	321.786	0.798	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1Cc1ncnn1C	2182343428	ISBAFZAFTBXMRM-UHFFFAOYSA-N	319.774	0.524	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CN(C)CCO1	2182342284	FRRBMAWNLOBIDO-VIFPVBQESA-N	323.802	0.288	70	10	DCIE	
CS(=O)(=O)C1(Cn2cnc(S(=O)(=O)Cl)c2)CCC1	2048866374	DGZAAWRAKADGNC-UHFFFAOYSA-N	312.800	0.778	70	10	DCIE	
O=C(C[C@@H]1C[C@@H]1C(F)(F)F)N1CCN(S(=O)(=O)F)CC1	2185244052	WXNQJOXKZYBQHP-YUMQZZPRSA-N	318.292	0.933	70	10	DCIE	
Cc1oc(C(=O)NCC[S@](C)=O)cc1S(=O)(=O)Cl	135261777	VYKJEOKPOCBUMB-QGZVFWFLSA-N	313.784	0.624	70	10	DCIE	
O=C(NC1CC1)[C@H]1COCCN1C(=O)c1ccc(Cl)nc1	159516356	IFGWLNXUESIRAN-LLVKDONJSA-N	309.753	0.855	70	10	DCIE	
O=C(CCCNC(=O)c1cccnc1)NC[C@@H]1CCC[C@H]1O	159940890	IWNPAPYAHUSOLX-GXTWGEPZSA-N	305.378	0.869	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1nc2sccn2c1CO	160077884	CYVAWYCOHQOQTC-JTQLQIEISA-N	310.379	0.229	70	10	DCIE	
CCn1ncc(Br)c1[C@@H](NN)[C@@H]1COCCO1	161391218	XESHKGJORDWZLP-IUCAKERBSA-N	305.176	0.585	70	10	DCIE	
C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)Oc1ccc(O)cc1	217277843	HLUJVNIWQHBUNJ-ZJUUUORDSA-N	314.363	0.603	70	10	DCIE	
CCO[C@@]1(c2nnc(S(=O)(=O)Cl)n2CC)CCOC1	402043031	JRTLAEMPIXXUMP-JTQLQIEISA-N	309.775	0.878	70	10	DCIE	
C#CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Cl)c1	585862435	XVPKJYAWNUYZDE-UHFFFAOYSA-N	312.738	0.909	70	10	DCIE	
COCCn1c(-c2ccns2)nnc1S(=O)(=O)Cl	705412984	CWBJCQWJDCRHHL-UHFFFAOYSA-N	308.772	0.976	70	10	DCIE	
Cn1ncc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1=O	1462980080	GJLPWEGJGGUQMP-UHFFFAOYSA-N	311.294	0.691	70	10	DCIE	
CC(C)CCS(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	1923192979	NJZKMGAPGOFVGP-UHFFFAOYSA-N	313.376	0.866	70	10	DCIE	
CC(=O)N[C@@H](C(=O)N1CCC(S(=O)(=O)F)CC1)C(C)C	1968216656	COQUFWXRWZBCGK-LLVKDONJSA-N	308.375	0.437	70	10	DCIE	
O=C(COc1ccccc1)N1CCN(S(=O)(=O)F)CC1	1974001666	YHGUJYLQVRRYGS-UHFFFAOYSA-N	302.327	0.424	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC[S@](C)=O	2011259221	YOLLXRTUROAVCG-INIZCTEOSA-N	300.789	0.336	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2OCC[C@@H]2C)c1S(=O)(=O)Cl	2152425414	QWCJBBXTJZWCHI-XPUUQOCRSA-N	321.786	0.800	70	10	DCIE	
CC[C@](C)(C(=O)NCC1CN(S(=O)(=O)F)C1)C(F)F	2336603621	BOKCQSYTIVRJRX-JTQLQIEISA-N	302.318	0.930	70	10	DCIE	
COc1nc(Cl)nc(N2CCOC[C@@H]2C(=O)NC(C)C)n1	160282966	JHZAKMSSCMDXLZ-MRVPVSSYSA-N	315.761	0.263	70	10	DCIE	
CCCn1cc(S(=O)(=O)N2CCC(C)(O)CC2)c(N)n1	160360792	LHAFOXXLIRBMDW-UHFFFAOYSA-N	302.400	0.411	70	10	DCIE	
Cc1c(N(C)CC2(O)CCCC2)cc(N)cc1S(N)(=O)=O	161090097	OIMRNRKQPYXAJM-UHFFFAOYSA-N	313.423	0.966	70	10	DCIE	
O=C(N[C@@H]1CCc2ncnn2C1)N1CCC(c2ccn[nH]2)CC1	161232717	BYTIUEBVYXNOMR-GFCCVEGCSA-N	315.381	0.905	70	10	DCIE	
COCCn1c(-c2cn(C)cn2)nnc1S(=O)(=O)Cl	234675188	FPNIXUZHZWMRSH-UHFFFAOYSA-N	305.747	0.253	70	10	DCIE	
O=C(C[C@H]1COC(=O)C1)Nc1ncc(S(=O)(=O)F)s1	1287483187	QANWSQNKEKXSLD-RXMQYKEDSA-N	308.312	0.693	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)CCn2cccn2)n1	1923174178	OUNCLCCFQDMZAF-UHFFFAOYSA-N	301.303	0.304	70	10	DCIE	
COc1nc(C(=O)Nc2ccc(S(=O)(=O)F)nc2)co1	2172850301	DTBPDQQNGYXOGF-UHFFFAOYSA-N	301.255	0.989	70	10	DCIE	
O=C([C@H](O)Cc1ccccc1)N1CC[C@@H](S(=O)(=O)F)C1	2205350313	RSUFFYUNKRBAIB-VXGBXAGGSA-N	301.339	0.490	70	10	DCIE	
CC[C@@H](COCCN1CCN(C)CC1)CS(=O)(=O)Cl	2266735518	GGOHRSNXSAVSNF-LBPRGKRZSA-N	312.863	0.845	70	10	DCIE	
Cc1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cc1O	2287072422	LZLKQNNNDLXYEE-SNVBAGLBSA-N	302.327	0.719	70	10	DCIE	
O=C([C@H]1COC2(CCC2)CO1)N1CC[C@@H](S(=O)(=O)F)C1	2364157198	ODTQJDDURQZHEN-NXEZZACHSA-N	307.343	0.225	70	10	DCIE	
O=C(Cc1ccc(F)cc1)NC[C@H](O)Cn1ccccc1=O	218417477	JXVNRRURISBQDB-AWEZNQCLSA-N	304.321	0.707	70	10	DCIE	
COCCn1c(-c2snnc2C)nnc1S(=O)(=O)Cl	133331367	LEVQUTPNLJKOMA-UHFFFAOYSA-N	323.787	0.679	70	10	DCIE	
CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(S(=O)(=O)F)C[C@H]21	1955897307	CQGCUOMEUZAFQD-NXEZZACHSA-N	324.374	0.911	70	10	DCIE	
COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1nocc1C	161262700	SQWGPWBMOPRCEV-LLVKDONJSA-N	310.354	0.149	70	10	DCIE	
COC(=O)Cn1ncc(N2CC[C@@H](C)[C@@H](N)C2)c(Cl)c1=O	159487292	JOXJWQGIEATMLX-BDAKNGLRSA-N	314.773	0.243	70	10	DCIE	
Cc1nc(N)sc1C(=O)N1CCOC[C@@H]1C(=O)NC(C)C	159685548	RMXVFNXHBRNJHC-SECBINFHSA-N	312.395	0.399	70	10	DCIE	
Cc1ccc(C(=O)NCC2CN(S(=O)(=O)F)C2)nc1C	1974054563	FOPGYUNZGYKTJW-UHFFFAOYSA-N	301.343	0.574	70	10	DCIE	
NC(=O)CSCCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	160477750	JAZMJMAYGJHFJR-BXUZGUMPSA-N	300.424	0.749	70	10	DCIE	
Cc1cnc(N2CCN(C3COC3)CC2)c([B-](F)(F)F)c1	2172791162	AZLWWIKKOLTRDB-UHFFFAOYSA-N	300.113	0.965	70	10	DCIE	
Cc1nc(N2CC(N(C)C3COC3)C2)ncc1[B-](F)(F)F	2173114490	PCZHQIHJVJIDBA-UHFFFAOYSA-N	301.101	0.359	70	10	DCIE	
COC[C@H](NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl)C1CC1	398460754	RRRKTNRZYAVTFU-QMMMGPOBSA-N	321.786	0.800	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)c2cccnc2)CC1	2088468819	GNHASDCCXRGDCH-UHFFFAOYSA-N	308.356	0.534	70	10	DCIE	
CO[C@H](c1nnc(S(=O)(=O)Cl)n1C)[C@H]1CCCOC1	2093880735	XOWRSBZDEFFKNS-YUMQZZPRSA-N	309.775	0.857	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1CC[C@@]2(CCO2)C1	2097001239	JFJSFXYZTLVSLA-LLVKDONJSA-N	304.755	0.947	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1csc(C2CC2)n1	2268807281	KMKSFKPQBFONDA-UHFFFAOYSA-N	305.356	0.649	70	10	DCIE	
COc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)cc1F	2284152912	FDVPZHTUQVYXNK-UHFFFAOYSA-N	306.290	0.463	70	10	DCIE	
COCCOCCOCCn1cc(S(=O)(=O)Cl)cn1	126781182	VYIKKYZOIFLQSY-UHFFFAOYSA-N	312.775	0.490	70	10	DCIE	
COC[C@H](O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1	161122206	QCPWXSJYSFHJAT-DZGCQCFKSA-N	320.389	0.862	70	10	DCIE	
CN1CCO[C@@H](CNC(=O)c2csc(S(C)(=O)=O)c2)C1	161167972	NPDGDNASUHGMMD-JTQLQIEISA-N	318.420	0.212	70	10	DCIE	
O=C(N[C@H]1CCc2ncnn2C1)N1CCN(CC2CC2)CC1	161211585	FNQRBNJRADMAOI-ZDUSSCGKSA-N	304.398	0.330	70	10	DCIE	
CN(C)C[C@](C)(O)CNS(=O)(=O)c1cccc2ncccc12	161411782	SXFMTPRWRKSTEX-OAHLLOKOSA-N	323.418	0.826	70	10	DCIE	
COC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)cc(C)c1F	161484183	OJWPSNGKSDVZMC-UHFFFAOYSA-N	318.370	0.936	70	10	DCIE	
CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2nocc2C)C1	160949575	DOGAOQISXGNKNZ-NSHDSACASA-N	322.365	0.829	70	10	DCIE	
CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1	159927724	UGWTUUGBCFOCPW-QWRGUYRKSA-N	316.365	0.762	70	10	DCIE	
CCN(c1cnn(CCN(C)C)c(=O)c1Cl)[C@H]1CCNC1	159382671	XVSIDXKEMFKQQR-NSHDSACASA-N	313.833	0.647	70	10	DCIE	
C[C@H]1CC[C@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)S1	1923174017	MIQUCLGMQVNIJA-NKWVEPMBSA-N	307.372	0.723	70	10	DCIE	
CC1(C)C[C@@H](CC(=O)N2CCN(S(=O)(=O)F)CC2)CO1	1974014198	GEZLQAYEEDCCEH-SNVBAGLBSA-N	308.375	0.550	70	10	DCIE	
CCOC(=O)c1nnn([C@@H]2CCS(=O)(=O)C2)c1C(F)F	159570022	BVLWHXWXXANMMB-ZCFIWIBFSA-N	309.294	0.752	70	10	DCIE	
CNC(=O)[C@H]1CNCCN1Cc1cnc(Cl)cc1Cl	159891089	WBLFTPDNSQFJPR-SNVBAGLBSA-N	303.193	0.908	70	10	DCIE	
COCCn1c(CCc2cn[nH]c2)nnc1S(=O)(=O)Cl	2144592744	KZPRGTOEYKSEFV-UHFFFAOYSA-N	319.774	0.360	70	10	DCIE	
CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](S(=O)(=O)F)C1	2144732587	HLBQYIZHBCWARO-QWRGUYRKSA-N	306.359	0.288	70	10	DCIE	
CC1(C)CN(C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2N)CCS1(=O)=O	161479515	RODKWKRBPXSEQD-YFKTTZPYSA-N	300.424	0.395	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)c2ccc3c(c2)CCC3)C1	2199697148	YPKXHDFLUAOIAM-UHFFFAOYSA-N	319.379	0.848	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@]23CO[C@](C)(C2)C3)[nH]1	2202587940	HSRAYBMWWNWVQG-XYPYZODXSA-N	303.315	0.008	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)C(F)(F)C1CCOCC1	2284151021	NREFAAOMFIEIHE-UHFFFAOYSA-N	316.301	0.063	70	10	DCIE	
O=C(N[C@@H]1[C@H]2COCC[C@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2331255253	ISHLLKJTLXPMNI-WEDXCCLWSA-N	304.755	0.707	70	10	DCIE	
CCc1[nH]nc(C(=O)N2CCOCC2)c1S(=O)(=O)Cl	115018114	QSQXQDXUFCPRQV-UHFFFAOYSA-N	307.759	0.372	70	10	DCIE	
C[C@H](Oc1ccccc1)C(=O)NC[C@H](O)Cn1ccccc1=O	218414701	SRQTZHOHCVHUIB-KBPBESRZSA-N	316.357	0.793	70	10	DCIE	
O=C(NC[C@@H]1COc2ccccc2O1)Nc1ccc(=O)[nH]n1	217304042	BNZXHPKYAXAMBB-SECBINFHSA-N	302.290	0.731	70	10	DCIE	
C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(S(=O)(=O)F)C1	1954655859	JYRJLLZBDGWRIT-RQJHMYQMSA-N	306.281	0.980	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@@H]1Br	1897126367	XCKHNXSJVBYUDD-RQJHMYQMSA-N	315.164	0.032	70	10	DCIE	
C#CCN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1267332357	AUNFZGALFRLNQE-UHFFFAOYSA-N	313.354	0.500	70	10	DCIE	
O=S1(=O)CC[C@H]2CN(c3ncccc3[B-](F)(F)F)C[C@@H]21	2116146189	UCNGYQMCHZFWJD-WPRPVWTQSA-N	305.110	0.759	70	10	DCIE	
CCCCNC[C@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1568579518	COEJSRFVGJCQKA-VIFPVBQESA-N	321.374	0.153	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1cccc(F)c1C(N)=S	159791187	BYYNPBXSVGLEMU-NSHDSACASA-N	311.382	0.801	70	10	DCIE	
O=S(=O)(Cl)c1nc(-c2ncc(Br)cn2)n[nH]1	1935633422	MRSXWBZVCMGHBU-UHFFFAOYSA-N	324.547	0.952	70	10	DCIE	
Cc1cc(C(=O)NC2CCN(S(=O)(=O)F)CC2)n(C)n1	1974402101	JSWJNFSVTDHGNW-UHFFFAOYSA-N	304.347	0.137	70	10	DCIE	
N#Cc1cccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)c1	2144733263	OEDKWJLRVXFMRT-NSHDSACASA-N	318.351	0.621	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCO[C@@H]([C@@H]3CCCO3)C2)nc1	2172774988	VOEIPQZYWUYVLL-WDEREUQCSA-N	302.085	0.915	70	10	DCIE	
O=C([C@H]1CCc2nc[nH]c2C1)N1CC(CS(=O)(=O)F)C1	2199682912	QTZNWYSECDPASD-VIFPVBQESA-N	301.343	0.272	70	10	DCIE	
Cn1nnc(Cn2cnc(S(=O)(=O)Cl)c2)c1C(F)F	2089371936	JJVWPUQGVQRANG-UHFFFAOYSA-N	311.701	0.925	70	10	DCIE	
CCn1c(-c2cccn(C)c2=O)nnc1S(=O)(=O)Cl	2227772639	RTYRXIDOTRRSLP-UHFFFAOYSA-N	302.743	0.591	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F	2284149537	BLHDBFLVNABLNJ-VDAHYXPESA-N	312.313	0.683	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1COC2(CCC2)C1	2284807445	QQABZSKJSSYPSG-JTQLQIEISA-N	306.359	0.208	70	10	DCIE	
Cc1nc(OCCN2CCOC[C@@H]2C)ncc1[B-](F)(F)F	2285428050	GSWIKQXQJUVKKM-VIFPVBQESA-N	304.101	0.939	70	10	DCIE	
CCCn1nccc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287064763	GDXRTZRTNNVJLY-VIFPVBQESA-N	304.347	0.312	70	10	DCIE	
O=S1(=O)C[C@@H](O)[C@H](NCCc2cccc3cccnc23)C1	159391212	WFPWAZGDPSFIQA-ZIAGYGMSSA-N	306.387	0.525	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N[C@@H](C)c2nncn2C)c1F	159512208	MMNGHZCUSLQIMN-QMMMGPOBSA-N	313.358	0.884	70	10	DCIE	
C[C@H]1CCCN(c2cnn(CCO)c(=O)c2Cl)[C@@H]1CN	159521623	NWNPAFVRDGDNHM-VHSXEESVSA-N	300.790	0.453	70	10	DCIE	
C[C@H](NC[C@H]1CCS(=O)(=O)C1)C(=O)NCC(F)(F)F	159782357	SJXYUZHVAUUQHL-JGVFFNPUSA-N	302.318	0.078	70	10	DCIE	
COc1cc(NS(=O)(=O)[C@@H](C)CO)cc(OC)c1OC	217296941	JCILVIYYCKBUSG-QMMMGPOBSA-N	305.352	0.835	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@@H](C)OC)c1S(=O)(=O)Cl	224643500	RYTFWHQQIDVJHR-ZCFIWIBFSA-N	309.775	0.664	70	10	DCIE	
CC(C)n1c(-c2cc(O)nn2C)nnc1S(=O)(=O)Cl	1913088400	ISEIPTYHIIRYDV-UHFFFAOYSA-N	305.747	0.893	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1CCC2(COC2)C1	1915563227	KYNPZOVIZNTIGQ-UHFFFAOYSA-N	318.782	0.815	70	10	DCIE	
O=C(Cn1ccc(C(F)(F)F)n1)N1CC(S(=O)(=O)F)C1	1968218157	RXCRABAKUUGKSB-UHFFFAOYSA-N	315.248	0.412	70	10	DCIE	
Cn1cc(Cl)c(C(=O)NC2CCN(S(=O)(=O)F)CC2)n1	1974394887	RDLLPRARMQDPDV-UHFFFAOYSA-N	324.765	0.482	70	10	DCIE	
CC(C)(Cn1cnc(S(=O)(=O)Cl)c1)S(C)(=O)=O	2002497463	OQUBRTJMDVZFEK-UHFFFAOYSA-N	300.789	0.634	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)C1C[C@H]2COC[C@H](C1)C2	2284154028	UUIACRSVWHWSAL-IUCAKERBSA-N	306.359	0.064	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C1CC(C(F)(F)F)C1	2287070024	DFSYKONNCPNVBD-RRQHEKLDSA-N	318.292	0.980	70	10	DCIE	
C[C@]12C[C@H](C1)[C@@H](C(=O)N1CCN(S(=O)(=O)F)CC1)CO2	2362909640	ANDFNWSPZYFIAW-JBLDHEPKSA-N	306.359	0.160	70	10	DCIE	
CS(=O)(=O)N1CCN(CC[C@@H](O)c2ccc(F)cn2)CC1	161383803	RIWNFIGVTSGFTK-CYBMUJFWSA-N	317.386	0.221	70	10	DCIE	
COCCCNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	163301903	CUSISZWWHNGJRC-UHFFFAOYSA-N	311.356	0.660	70	10	DCIE	
C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	163332393	KVHLJXOSWMWBOE-VIFPVBQESA-N	324.399	0.573	70	10	DCIE	
CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Cl)cc1C(=O)O	215621668	RRGXTGPCANGANR-ZCFIWIBFSA-N	321.738	0.826	70	10	DCIE	
CCn1cc(S(=O)(=O)NC[C@H](O)C(F)(F)F)nc1C	218075656	NKPCWNHQDNBCPW-ZETCQYMHSA-N	301.290	0.413	70	10	DCIE	
O=C(Cn1cnnn1)NC[C@H]1CCCN(c2nccs2)C1	218149809	SXLYSDSUAYQPHF-SNVBAGLBSA-N	307.383	0.162	70	10	DCIE	
CCCNC(=O)Cn1nc([N+](=O)[O-])c(S(=O)(=O)Cl)c1C	312387191	KLTHATQZYURMCX-UHFFFAOYSA-N	324.746	0.553	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@@H]1CNC(=O)C1	400252647	OORTYDOCWUJCEC-LURJTMIESA-N	322.730	0.163	70	10	DCIE	
C[C@H]1CS(=O)(=O)CCN1CCCCS(=O)(=O)Cl	689053861	FBKIDONEWKWPKG-VIFPVBQESA-N	303.833	0.454	70	10	DCIE	
COC1CC(CNC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	703391926	YHZLCXZNLAZVIL-UHFFFAOYSA-N	321.786	0.800	70	10	DCIE	
O=C(NNC(=O)c1ncccn1)c1ccc(S(=O)(=O)F)cc1	1129835011	SZWQVEXGXQYIDH-UHFFFAOYSA-N	324.293	0.210	70	10	DCIE	
O=C(NCC1(NCCF)CC1)c1cc(S(=O)(=O)F)c[nH]1	1323542938	SXQNXNQTBYYQDV-UHFFFAOYSA-N	307.322	0.494	70	10	DCIE	
C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H](C)[C@@H]1O	1348817285	KJENPFYMEMUECF-VROVMSAKSA-N	304.343	0.762	70	10	DCIE	
O=S(=O)(NC1CCN(S(=O)(=O)F)CC1)c1ccccc1	1968761645	KOOKVOIPANERJA-UHFFFAOYSA-N	322.383	0.644	70	10	DCIE	
O=C(c1ccncc1Cl)N1CCN(S(=O)(=O)F)CC1	1974001044	LYGKODUDFGMZCP-UHFFFAOYSA-N	307.734	0.707	70	10	DCIE	
C[C@H](F)CS(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2057409388	GHYOENMLKMCQIC-LURJTMIESA-N	300.308	0.840	70	10	DCIE	
O=S(=O)(F)c1ccc(NS(=O)(=O)c2cn[nH]c2)cn1	2110223264	WYGLHOYBIQFGGM-UHFFFAOYSA-N	306.300	0.264	70	10	DCIE	
N#CC1(CS(=O)(=O)N2CC(S(=O)(=O)F)C2)CCCC1	2134971763	SQIKZRPTGSFTML-UHFFFAOYSA-N	310.372	0.384	70	10	DCIE	
CC(=O)N1CCC[C@H]1C(=O)N1CCC(S(=O)(=O)F)CC1	2144732397	FIFCZAZBYZTJFB-NSHDSACASA-N	306.359	0.288	70	10	DCIE	
CCC1(CNC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)COC1	2203121489	NKXFBFVQDNAOBL-UHFFFAOYSA-N	321.786	0.802	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1OC[C@@H]2CCC[C@H]12	2358466914	BMXRBQXUXVXAHX-DCAQKATOSA-N	306.359	0.064	70	10	DCIE	
Cc1nn(CCCS(C)(=O)=O)c(C)c1S(=O)(=O)Cl	112603276	VDCNGWYCHVECSY-UHFFFAOYSA-N	314.816	0.862	70	10	DCIE	
CC(C)[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)Nc1ccccc1	159557347	DIAOSXJJHZIUKN-STQMWFEESA-N	318.377	0.837	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCC(C)(C)N(C)C)cc1N	159605221	NYXZMOOZKNZYTM-UHFFFAOYSA-N	300.428	0.929	70	10	DCIE	
CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc([S@@](C)=O)cc1	159606046	SDVDOJHPKGIFRQ-DMZKTXOQSA-N	323.418	0.844	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)[C@](C)(CC)C(N)=S	159777582	DPMHRFWXVQGRQH-IINYFYTJSA-N	315.439	0.442	70	10	DCIE	
CN(C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1N	160695491	WRZPDDOLUXWYTB-UHFFFAOYSA-N	320.802	0.472	70	10	DCIE	
Cc1nn(CCCN)c(C)c1S(=O)(=O)NC[C@@H]1C[C@H]1C	160802386	NVYAOKOMNRVIBK-SKDRFNHKSA-N	300.428	0.783	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CNC(=O)O1	215791292	POYOAYQJOVQUKV-ZETCQYMHSA-N	307.759	0.872	70	10	DCIE	
CCC(CC)NC(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1	217304971	RPDAZOKKJGUFPD-CYBMUJFWSA-N	319.471	0.935	70	10	DCIE	
COCCOCNC(=O)Nc1ncc(Br)cn1	217311261	IXCNVDAXEIABCO-UHFFFAOYSA-N	305.132	0.981	70	10	DCIE	
CCN1CCC[C@@H]1CNS(=O)(=O)CCCCNC1CC1	217584617	ZHIHXJITDBYKTE-CQSZACIVSA-N	303.472	0.922	70	10	DCIE	
CC[C@@H]1CC[C@H](CN)[C@@H](S(=O)(=O)CCS(C)(=O)=O)C1	218099921	LHDJWCWDFUVLOL-UTUOFQBUSA-N	311.469	0.599	70	10	DCIE	
NC(=S)c1cccc(OC[C@@H](O)CN2CCC[C@@H](O)C2)c1	218447857	UJLIAWUMLLSHEQ-OLZOCXBDSA-N	310.419	0.517	70	10	DCIE	
O=C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1cc(S(=O)(=O)F)c[nH]1	1337580873	MKNNENWGBNIZNA-RMAYHROUSA-N	300.311	0.579	70	10	DCIE	
C[C@@H]1OCC[C@]1(C)NC(=O)c1cncc(OS(=O)(=O)F)c1	1887514081	KWSQMIWOOPUGOQ-UFBFGSQYSA-N	318.326	0.972	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)CC[C@H]2CCCO2)n1	1923177692	LDCVUJFHVOLZBJ-MRVPVSSYSA-N	305.331	0.976	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cc(F)ccc1O	1974058716	HGRDJDIOMRTEJB-UHFFFAOYSA-N	306.290	0.407	70	10	DCIE	
CS(=O)(=O)CS(=O)(=O)N1CCC[C@H]([B-](F)(F)F)C1	2016099539	FTIBQLWKJWNAES-ZETCQYMHSA-N	308.132	0.632	70	10	DCIE	
CS(=O)(=O)[C@@H]1CCCN(c2ncncc2[B-](F)(F)F)C1	2116137945	GEAMYNYZTVHHIJ-MRVPVSSYSA-N	308.114	0.544	70	10	DCIE	
COCCn1c([C@@H]2[C@H]3CCOC[C@H]32)nnc1S(=O)(=O)Cl	2150055777	VACDMRUGLYLOSP-DJLDLDEBSA-N	321.786	0.602	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCOC[C@H]2CN(C)C)n1	2172773298	ZCLQVZJAVVHSMI-SNVBAGLBSA-N	303.117	0.606	70	10	DCIE	
CCS(=O)(=O)[C@@H]1CCN(c2ncnc(C)c2[B-](F)(F)F)C1	2179895691	WXNWEAZRNVGYSY-SECBINFHSA-N	322.141	0.853	70	10	DCIE	
CCCc1c(C(=O)N2CC(S(=O)(=O)F)C2)nnn1CC	2199687162	GEXFKDJJRWXZFH-UHFFFAOYSA-N	304.347	0.374	70	10	DCIE	
COC[C@]1(C(=O)N2CC(CCS(=O)(=O)F)C2)CCCO1	2199697951	LYAXETYOZASCIU-LBPRGKRZSA-N	309.359	0.330	70	10	DCIE	
O=S(=O)(CC1CCCC1)N[C@H]1CCN(S(=O)(=O)F)C1	2271500199	KJPZRHCUYJPBLW-JTQLQIEISA-N	314.404	0.385	70	10	DCIE	
C[C@]1([B-](F)(F)F)CCN(S(=O)(=O)N2CC[C@@H](O)C2)C1	2319747234	DTRMATWJSVRAJY-BDAKNGLRSA-N	301.119	0.611	70	10	DCIE	
COC[C@H](O)CN(C)S(=O)(=O)c1cc(N)cc(C)c1F	159502740	ADNATPROKLDPJG-SNVBAGLBSA-N	306.359	0.344	70	10	DCIE	
O=C1NC2(CCCC2)C(=O)N1CCN1CCN(C2CC2)CC1	159719210	RWBQSMRGRLKREG-UHFFFAOYSA-N	306.410	0.631	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1c1cnccc1C(N)=S	159806657	MGWSVDINOOHKST-LBPRGKRZSA-N	308.407	0.447	70	10	DCIE	
CCc1ncc(S(=O)(=O)NCCCCOCCOC)[nH]1	159871049	JRVPNLYTRVYSOP-UHFFFAOYSA-N	305.400	0.694	70	10	DCIE	
CCOC(=O)C1CCN(C(=O)CN(C)C[C@@](C)(O)CC)CC1	160832693	SBRPCLIQPTXEEX-INIZCTEOSA-N	314.426	0.881	70	10	DCIE	
CCOc1nc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n[nH]1	1123916436	QSWKVEQDOWYFJE-UHFFFAOYSA-N	303.275	0.442	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)[C@H]2CCC[C@@H]2F)C1	2055249575	IVZMIVQNCOCGSZ-VGMNWLOBSA-N	303.352	0.580	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)[C@@H]2CCCC[C@@H]2F)C1	2078989836	BETDIVNQAOZDNC-DTWKUNHWSA-N	303.352	0.580	70	10	DCIE	
CO[C@@H]1C[C@@]2(C(=O)NC3CCN(S(=O)(=O)F)CC3)C[C@H]12	2169025066	HLMRASHIWZEQHE-FOGDFJRCSA-N	306.359	0.206	70	10	DCIE	
Cc1ccnc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)c1[B-](F)(F)F	2172784151	ASPJMJXPPJFDKJ-NXEZZACHSA-N	319.137	0.925	70	10	DCIE	
N#CCCNC(=O)COc1ccc(S(=O)(=O)F)cc1F	2191433713	BZRDMMRGFQBZHP-UHFFFAOYSA-N	304.274	0.893	70	10	DCIE	
CO[C@H]1CC[C@@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2227913398	NJSJHOLTGJHJQA-RQJHMYQMSA-N	308.743	0.301	70	10	DCIE	
Cc1cc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)nc(Cl)n1	2287080996	XSGZVIZCXDOVJJ-ZETCQYMHSA-N	322.749	0.457	70	10	DCIE	
C[C@@H](O)CN(C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1498384936	BMPYAFCGEFEGSX-RKDXNWHRSA-N	321.374	0.104	70	10	DCIE	
O=C(C[C@@H]1CCS(=O)(=O)C1)N1CC[C@@]2(O)CCCC[C@@H]2C1	160464577	ALKGJJBAVPFJBB-GUTXKFCHSA-N	315.435	0.965	70	10	DCIE	
COC(=O)c1[nH]c(C)c(C(=O)N2CCO[C@@H](CN(C)C)C2)c1C	160971975	WGBUSXSCJWTIMB-LBPRGKRZSA-N	323.393	0.821	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)[C@@](C)(N)C(F)(F)F	159602752	RXVLNMHSRNCSRV-GZMMTYOYSA-N	311.304	0.020	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@H](C(=O)OC)C(C)C)cc1N	159606009	SLGPBLITQSLCJP-LBPRGKRZSA-N	315.395	0.786	70	10	DCIE	
COC[C@H](O)CN(C)S(=O)(=O)c1ccc([C@@H](C)O)cc1	218040868	IGLACYJARDRKPZ-ZYHUDNBSSA-N	303.380	0.368	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)[nH]1	1923163897	NFZZMCMWHOGGKR-DJLDLDEBSA-N	301.343	0.875	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CCC(F)(F)C1	1974054739	HZNRAWKMCZKNPY-MRVPVSSYSA-N	300.302	0.684	70	10	DCIE	
COCCOCCCCNS(=O)(=O)c1ccc(CN)s1	159472639	ZHADDDXANSIUPK-UHFFFAOYSA-N	322.452	0.928	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cnc(N)c(Cl)c2)CCOC1	161203327	RETRMVCBSLCRPZ-LLVKDONJSA-N	321.786	0.401	70	10	DCIE	
C[C@@H](C(=O)NCC1CN(S(=O)(=O)F)C1)[C@@H]1CCCCO1	2164434972	FXHNKCGJWSAEPQ-KOLCDFICSA-N	308.375	0.454	70	10	DCIE	
Cc1coc(S(=O)(=O)NCC2CN(S(=O)(=O)F)C2)c1	2108157992	PZGOGFLVTVAGDX-UHFFFAOYSA-N	312.344	0.012	70	10	DCIE	
CCCn1c(-c2c[nH]c(=O)cn2)nnc1S(=O)(=O)Cl	2110830185	WAVHGHUICZCFCH-UHFFFAOYSA-N	303.731	0.366	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1CCCOCC1	2206981615	WCMKECLXTVMKNR-MRVPVSSYSA-N	322.770	0.693	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N(CC(N)=O)C(C)C)c1F	159469709	XAQVBEJXWAEYIM-UHFFFAOYSA-N	303.359	0.601	70	10	DCIE	
COC(=O)Cn1ncc(N[C@@](C)(CN)C2CC2)c(Cl)c1=O	159891342	PCJUSBBLFRCVAR-ZDUSSCGKSA-N	314.773	0.609	70	10	DCIE	
COC(=O)Cn1ncc(N2CC[C@H](N)C[C@H]2C)c(Cl)c1=O	159929990	XLXDUYCFVPMAEY-BDAKNGLRSA-N	314.773	0.386	70	10	DCIE	
O=C1OC2(CCN(C(=O)Cn3cnnn3)CC2)c2ccccc21	217529255	KCMBLAGIISNSPM-UHFFFAOYSA-N	313.317	0.361	70	10	DCIE	
COc1cccc(/C=C/NC(=O)NCCN2CCNCC2)c1	217936715	USEVZJFEIDWNFP-AATRIKPKSA-N	304.394	0.870	70	10	DCIE	
CCc1occc1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923174583	WKSRBLCRBXURMN-UHFFFAOYSA-N	301.299	0.908	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1C[C@@H]1C(F)F	2112725670	ZBPOPUOUXXHHKD-YUMQZZPRSA-N	300.302	0.683	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@@H]1C(F)(F)F	2271497441	ICNPTOWGJHEDQN-VQVTYTSYSA-N	304.265	0.590	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N2CCC[C@H]2C(N)=O)c1F	159459333	YIZFKXYGZVMSQL-VIFPVBQESA-N	301.343	0.355	70	10	DCIE	
O=C(NCCN1C(=O)CCC1=O)N1CCC(c2ccn[nH]2)CC1	159922340	OFGXMTWLWIXSBL-UHFFFAOYSA-N	319.365	0.448	70	10	DCIE	
C[C@H]1Oc2ccccc2N(CCC(=O)NC2(CO)CC2)C1=O	160273304	HYRGLJDGXBNZGS-LLVKDONJSA-N	304.346	0.832	70	10	DCIE	
CC1(OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)CNC1	161120575	SHBBMHIZAOAUJV-OLZOCXBDSA-N	314.451	0.878	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2C[C@H]3C[C@H]2CO3)c1	387499967	AHFGWDTWAZFYIX-DTWKUNHWSA-N	321.351	0.507	70	10	DCIE	
C[C@H](C(N)=O)S(=O)(=O)Cc1ccc(S(=O)(=O)F)cc1	857251082	CUVQYRUTAKICFY-SSDOTTSWSA-N	309.340	0.133	70	10	DCIE	
O=C(NC/C=C/CNCCF)c1cc(S(=O)(=O)F)c[nH]1	1716344262	SJONFGWQSYNLRI-OWOJBTEDSA-N	307.322	0.518	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)CC[C@H]2CCOC2)n1	1923156501	LSXYOMLKSVZMQR-QMMMGPOBSA-N	305.331	0.834	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CC2(CCC2)CO1	1974055509	RYFODCPNIHWFAW-JTQLQIEISA-N	306.359	0.208	70	10	DCIE	
CCCn1c([C@H]2COCCN2C)nnc1S(=O)(=O)Cl	2099567199	XQSPCNASHXKAJA-MRVPVSSYSA-N	308.791	0.619	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@H](C)C(=O)N(C)C	2125953300	HZAPOBGQOHMHTE-SSDOTTSWSA-N	309.775	0.606	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2C[C@@H]3COC[C@@H]32)cc1	2186344197	DMXZLJUAKMEWGD-KCJUWKMLSA-N	321.351	0.364	70	10	DCIE	
CS(=O)(=O)C1CC(Cn2cc(S(=O)(=O)Cl)cn2)C1	2257551134	IXPFUYLHUTTZCC-UHFFFAOYSA-N	312.800	0.634	70	10	DCIE	
CC[C@]12CO[C@](C(=O)N[C@@H]3CCN(S(=O)(=O)F)C3)(C1)C2	2287067644	HZBALPACXSYQFI-JLLWLGSASA-N	306.359	0.350	70	10	DCIE	
CS[C@H]1C[C@@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)C1	2335877842	FPCIOZFADUEPIB-WAAGHKOSSA-N	310.416	0.923	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N(C)CC(=O)N(C)C)c1F	159463808	ILBHBLPKHZDJEE-UHFFFAOYSA-N	303.359	0.425	70	10	DCIE	
CCS(=O)(=O)[C@@H]1CSCCN1C(=O)[C@@H](N)CCCOC	159494891	XVDBMAKZFQIQMZ-WDEREUQCSA-N	324.468	0.077	70	10	DCIE	
CC1(C)[C@H]2CNC[C@H]2CN1c1cnn(CCO)c(=O)c1Cl	159755598	YBWVKXVSHLHDLH-UWVGGRQHSA-N	312.801	0.323	70	10	DCIE	
CCSCC[C@H](C)NC(=O)C[C@H]1CS(=O)(=O)CCN1	160227133	BPHCQQJFNLLPPK-QWRGUYRKSA-N	308.469	0.411	70	10	DCIE	
CN[C@@H](c1c(Cl)cnn1CCOC)[C@H]1CN(C)CCN1C	161201257	CVKGIJLZIPXMNC-CHWSQXEVSA-N	315.849	0.689	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(C)c(F)c(N)c1	218147967	SMENXHWKMJBCSI-UHFFFAOYSA-N	303.359	0.473	70	10	DCIE	
Cn1nnc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)n1	697223640	ZSBNICAAZPKSRS-UHFFFAOYSA-N	301.715	0.390	70	10	DCIE	
Cc1noc(C)c1CC(=O)NCC1CN(S(=O)(=O)F)C1	1974059785	PBWNLWDHUAIESJ-UHFFFAOYSA-N	305.331	0.096	70	10	DCIE	
O=S1(=O)CC[C@@H]2CN(c3ncc([B-](F)(F)F)cc3F)C[C@H]21	2172787387	DTVUJPIJDDSFOY-GMSGAONNSA-N	323.100	0.898	70	10	DCIE	
COC[C@@]1(C)C[C@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2284683007	RGFQTAMANIFGKB-WRWORJQWSA-N	305.331	0.111	70	10	DCIE	
C[C@@H]1CN(c2nc[nH]c(=O)c2I)CCN1	159567908	NTSWZUTVJLIHFT-ZCFIWIBFSA-N	320.134	0.173	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CCN1CCCC1=O	692418419	HTGKYGGKQUXXED-UHFFFAOYSA-N	305.787	0.995	70	10	DCIE	
O=C(Cc1ccc(S(=O)(=O)Cl)s1)N[C@@H]1[C@H]2COC[C@H]21	2118024065	VHKCNICNXQLBEZ-VROVMSAKSA-N	321.807	0.979	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1[C@H]2OCC[C@@H]21	2120030093	UWNNBVSTNSQOLA-QNSHHTMESA-N	304.755	0.470	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)NCC2CC(O)C2)cc1	1614994639	BZXWUGBMRPPOHR-UHFFFAOYSA-N	323.367	0.394	70	10	DCIE	
COc1cc(C(=O)Nc2cn(C)nn2)ccc1S(=O)(=O)F	1598008667	HAYHKQOVZAJUOG-UHFFFAOYSA-N	314.298	0.734	70	10	DCIE	
O=C(CNC(=O)c1cccnc1)NC[C@H](O)C1CCCCC1	160246704	LWQYMCGDELYHTK-AWEZNQCLSA-N	305.378	0.869	70	10	DCIE	
C[C@H](C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F)[C@@H]1CCCO1	1923164372	UROITCVVFCDANI-YUMQZZPRSA-N	305.331	0.254	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cccnc2Cl)[nH]1	1923157225	AGRZXWBGWWUMFE-UHFFFAOYSA-N	318.717	0.801	70	10	DCIE	
C[C@H](CCCN1CCS(=O)(=O)CC1)S(=O)(=O)Cl	1949709075	IABDJEPNOIJYPP-SECBINFHSA-N	303.833	0.454	70	10	DCIE	
COc1ccc(S(=O)(=O)N2CCC(C)(O)CC2)c(N)c1	160356797	BYLIQEIUEJTQEP-UHFFFAOYSA-N	300.380	0.813	70	10	DCIE	
CS(=O)(=O)[C@@H]1CSCCN1c1c(N)cccc1C(N)=O	161213352	HZLCEVPMGRXOTL-SNVBAGLBSA-N	315.420	0.292	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CCOC(F)F	2032860007	LPAABAMPEFVCMB-UHFFFAOYSA-N	304.658	0.116	70	10	DCIE	
O=S1(=O)C[C@H]2CN(c3ncc([B-](F)(F)F)cc3F)C[C@@H]2C1	2172787417	FELZXZOYPZGJDG-HTQZYQBOSA-N	323.100	0.756	70	10	DCIE	
Cc1ncnc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c1[B-](F)(F)F	2172758258	NISLUDBOPQTJDS-HTQZYQBOSA-N	322.141	0.851	70	10	DCIE	
O=C1NCCN1CCOc1ccc(S(=O)(=O)F)cc1F	2191434500	LDDDBTBXLKSGCT-UHFFFAOYSA-N	306.290	0.888	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@H]1C(F)(F)F	2271497439	ICNPTOWGJHEDQN-FSDSQADBSA-N	304.265	0.590	70	10	DCIE	
Cc1cc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)ncc1[B-](F)(F)F	2336507662	DXBQDKMHFXNYDX-WPRPVWTQSA-N	305.110	0.678	70	10	DCIE	
CCc1[nH]nc(C(=O)NCC(F)F)c1S(=O)(=O)Cl	148124236	LINOWAYBXBRLEL-UHFFFAOYSA-N	301.702	0.895	70	10	DCIE	
O=C1NCCCc2nc(NS(=O)(=O)c3cnoc3)sc21	218530596	CJSLSZHSKVEDIP-UHFFFAOYSA-N	314.348	0.608	70	10	DCIE	
NC(=O)c1ccc(Oc2ccc(S(N)(=O)=O)cn2)cc1F	160175020	SBPFGJNPMQFBJO-UHFFFAOYSA-N	311.294	0.759	70	10	DCIE	
CCC(CO)(CO)NC(=O)CNC(=O)c1ccc(C)s1	218137077	WBNBFVGKKBGOBT-UHFFFAOYSA-N	300.380	0.036	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)COCC(F)(F)F)n1	1923179232	YUAZQQOCPQYHMH-UHFFFAOYSA-N	319.236	0.596	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CCCN1CCCS(=O)(=O)Cl	1946000980	KSZITFKBMICDJA-VIFPVBQESA-N	303.833	0.454	70	10	DCIE	
O=C(CN1CCCCCCC1)N[C@H]1CS(=O)(=O)C[C@H]1Cl	7525382	HRTZZNYRPYMUAH-NEPJUHHUSA-N	322.858	0.773	70	10	DCIE	
NC(=O)NCCNC[C@@H](O)COc1ccc(Cl)cc1Cl	160983619	NSYYVODLOMBFBD-SECBINFHSA-N	322.192	0.991	70	10	DCIE	
CC(C)c1conc1C(=O)NCC1CN(S(=O)(=O)F)C1	2195403569	OPUFEQUULJXPAN-UHFFFAOYSA-N	305.331	0.674	70	10	DCIE	
COCCn1c(C[C@@H]2CCO[C@@H]2C)nnc1S(=O)(=O)Cl	2196352230	JABPNLAZCARSAI-BDAKNGLRSA-N	323.802	0.820	70	10	DCIE	
O=S(=O)(F)N1CCC(NS(=O)(=O)C(F)(F)F)CC1	2049918678	PAMSPTOWQITYOA-UHFFFAOYSA-N	314.282	0.104	70	10	DCIE	
N#CCNC(=O)COc1ccc(S(=O)(=O)F)c(F)c1F	2191432868	ZLIASQCUAYFKAB-UHFFFAOYSA-N	308.237	0.642	70	10	DCIE	
O=C(c1c(Cl)ncnc1Cl)N1CC(S(=O)(=O)F)C1	2082997602	IKNKZTAZBBIGKJ-UHFFFAOYSA-N	314.125	0.907	70	10	DCIE	
CC(F)(F)[C@H]1C[C@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	2108153479	IXFGCOJDTXIZEW-SFYZADRCSA-N	300.302	0.540	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCCO2)C1	2088473226	YNRGMUQROQUWEA-VHSXEESVSA-N	315.388	0.259	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)C[C@@H]2CC[C@H](F)C2)C1	2093987366	YBXBYPCADYKRSN-KXUCPTDWSA-N	317.379	0.828	70	10	DCIE	
CC[C@@H]1CC[C@@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)O1	2201411268	ZZGVUFVUDWYRAH-SFYZADRCSA-N	322.770	0.834	70	10	DCIE	
O=C(C=Cc1ccccc1F)NC1CN(S(=O)(=O)F)C1	2284151256	PMWXZDGSTJXXHN-UHFFFAOYSA-N	302.302	0.854	70	10	DCIE	
O=C(C=Cc1ccc(F)cc1)NC1CN(S(=O)(=O)F)C1	2284151676	SFNJCEMUVDMMPI-UHFFFAOYSA-N	302.302	0.854	70	10	DCIE	
COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Cl)ccc21	100062130	KYVRKDKUTDCUMB-UHFFFAOYSA-N	305.695	0.695	70	10	DCIE	
CCC[C@@H](O)CNC(=O)c1cccc(S(N)(=O)=O)c1C	159390949	KDFWZJUSIKGVPE-SNVBAGLBSA-N	300.380	0.533	70	10	DCIE	
CCCCn1ncc(N2CCN(C)C[C@@H]2CN)c(Cl)c1=O	159816459	LEUGHXPWVRBVIC-NSHDSACASA-N	313.833	0.776	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cc(CN)ccc2C)CCOC1	160171425	RJGGTIOVFPHDIX-AWEZNQCLSA-N	314.407	0.538	70	10	DCIE	
O=C(CCN1CCN(c2ccccc2)CC1)NC1(CO)CC1	160232571	HDFCEAIRRZNKCE-UHFFFAOYSA-N	303.406	0.840	70	10	DCIE	
C[C@@H]1C[C@H]1CNC(=O)c1ccc(N(C)C)c(S(N)(=O)=O)c1	160337766	UERFWYXCACMGDA-KOLCDFICSA-N	311.407	0.786	70	10	DCIE	
CNCc1ccc(S(=O)(=O)NC[C@@]2(OC)CCOC2)cc1	160676008	RRWWHTLVYVMEGH-AWEZNQCLSA-N	314.407	0.490	70	10	DCIE	
CCN(CC#N)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1266417800	IBZHQVQNHIMJHO-UHFFFAOYSA-N	302.331	0.248	70	10	DCIE	
CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NS(=O)(=O)F	1953264242	JRGIYQUYXHRVKU-QGZVFWFLSA-N	304.365	0.823	70	10	DCIE	
COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)F	1954656254	NIYXCROXFMGPHQ-SECBINFHSA-N	312.363	0.768	70	10	DCIE	
O=C(N1CCN(S(=O)(=O)F)CC1)C1(Br)CC1	1974000793	GYZVCJUQOOMGKJ-UHFFFAOYSA-N	315.164	0.272	70	10	DCIE	
O=C(c1c(O)cccc1F)N1CCN(S(=O)(=O)F)CC1	1974000955	KASSDLSNSGLBGF-UHFFFAOYSA-N	306.290	0.503	70	10	DCIE	
Cc1ccnc(C(=O)NC2CCN(S(=O)(=O)F)CC2)c1	1974394418	ISWCFCAVXCKPDG-UHFFFAOYSA-N	301.343	0.799	70	10	DCIE	
COc1ccc(C(=O)NC2COC2)cc1S(=O)(=O)Cl	2109038324	GRUWMEWVVKIJHF-UHFFFAOYSA-N	305.739	0.751	70	10	DCIE	
C[C@H](CCCN1CC(N2CCOCC2)C1)S(=O)(=O)Cl	2113195193	KISSDXJCMFRNOV-LLVKDONJSA-N	310.847	0.740	70	10	DCIE	
COc1nn(Cc2cnn(C)n2)c(OC)c1S(=O)(=O)Cl	2149827438	PBXRXHBCTVKZII-UHFFFAOYSA-N	321.746	0.005	70	10	DCIE	
CC(C)c1nc(S(=O)(=O)Cl)cn1[C@H]1CC(=O)N(C)C1=O	2152396068	JCJPUUVWYNMICX-ZETCQYMHSA-N	319.770	0.864	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@]12CCC[C@H]1OCC2	2164434928	FVPQCWJYDNMSNV-ZYHUDNBSSA-N	306.359	0.208	70	10	DCIE	
Cc1nc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)ccc1[B-](F)(F)F	2172781619	HEYYQNOHGJNJTO-NXEZZACHSA-N	319.137	0.925	70	10	DCIE	
COc1nc(N2CC3(CCCN3C)C2)ncc1[B-](F)(F)F	2186542627	KXBVFRDHCBMRQX-UHFFFAOYSA-N	301.101	0.824	70	10	DCIE	
COC1(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CC(CF)C1	2287062540	HIIASPOKXPVPAM-YUCVTWSNSA-N	312.338	0.156	70	10	DCIE	
COc1ccc(F)c2c1CN([C@H]1CCS(=O)(=O)C1)[C@H]2CN	216825910	PQCNUENOUFQHTG-CABZTGNLSA-N	314.382	0.837	70	10	DCIE	
C#CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1	130163397	YJAJRPNQYLAMGN-UHFFFAOYSA-N	307.780	0.868	70	10	DCIE	
Cc1nc(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)oc1C	700435925	NVNUFQXHHDIGIV-UHFFFAOYSA-N	319.726	0.530	70	10	DCIE	
O=C(N=S1(=O)CCOCC1)c1cc(S(=O)(=O)F)c[nH]1	1134654653	LFBRGPCMLBZBMX-UHFFFAOYSA-N	310.328	0.311	70	10	DCIE	
CCn1c(=O)c2cc(S(=O)(=O)Cl)ccc2n(C)c1=O	105659316	STZDWGXIUHNSAL-UHFFFAOYSA-N	302.739	0.648	70	10	DCIE	
CO[C@H](C)CNCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1481281560	SORAGGMMYFLFQE-SECBINFHSA-N	321.374	0.369	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1[C@H](C)C(=O)NC(=O)NC	215846736	RJAXKCDECGQBON-ZCFIWIBFSA-N	322.774	0.390	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)Cc2ccc(CN)cc2)CCOC1	160170861	LGEIYRLMOPZSBL-CQSZACIVSA-N	314.407	0.370	70	10	DCIE	
COc1c(Cl)ncnc1N1CCOC[C@H]1C(=O)NC1CC1	160279029	UMNPSGDEFMWSGG-VIFPVBQESA-N	312.757	0.622	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1nc(NCC)ncc1Cl	160533839	LTHZMTRITKLACO-SNVBAGLBSA-N	313.789	0.903	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NCCCc2nnc[nH]2)c1F	159533071	SHFXKVWHWYBYKO-UHFFFAOYSA-N	313.358	0.746	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1ccc(C(N)=S)c(F)c1	159789684	VOKFBNRDYWPGRY-LBPRGKRZSA-N	311.382	0.801	70	10	DCIE	
CC[C@@](C)(C(=O)N1CCOC[C@@H]1C(=O)NC1CC1)C(N)=S	159780423	PTLXBOHFOHDJKA-QMTHXVAHSA-N	313.423	0.195	70	10	DCIE	
C[C@H]1C[C@H](CN)CN1c1cnn(CCN(C)C)c(=O)c1Cl	159981617	FKWXMLURCZMFIU-WDEREUQCSA-N	313.833	0.632	70	10	DCIE	
C[C@H](Br)CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	1901501358	HVIPZAWQXFKEMU-NKWVEPMBSA-N	317.180	0.565	70	10	DCIE	
CC(C)[C@@H](C#N)CS(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	1926329416	WXHWAGCVOOOQBL-UWVGGRQHSA-N	312.388	0.486	70	10	DCIE	
O=C([C@@H]1COCCC1(F)F)N1CCN(S(=O)(=O)F)CC1	1974014054	DMDXPYFRKLIOKZ-QMMMGPOBSA-N	316.301	0.017	70	10	DCIE	
COCCOCCCCNS(=O)(=O)C[C@@H]1CCCCN1	159472788	NDQHJSFJTKASJQ-ZDUSSCGKSA-N	308.444	0.491	70	10	DCIE	
C[C@H](O)[C@@H](N)CNc1cnn(CC(F)(F)F)c(=O)c1Cl	159551943	YNWMSMKCVRCLLX-WDSKDSINSA-N	314.695	0.579	70	10	DCIE	
CO[C@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	2156365976	SEBCUCGTPXIEPK-OCAPTIKFSA-N	321.786	0.895	70	10	DCIE	
COC[C@@H]1C[C@@H]1CNC(=O)c1cc(S(=O)(=O)Cl)cn1C	2189953692	MLFNQJFJGSDDCO-BDAKNGLRSA-N	320.798	0.965	70	10	DCIE	
C[C@H](CC(F)(F)F)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271486707	AHGSJAPDFYZUHO-RQJHMYQMSA-N	306.281	0.980	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)[C@H]2CCC[C@H]2F)C1	2309808425	IVZMIVQNCOCGSZ-YIZRAAEISA-N	303.352	0.580	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1C(=O)[C@](C)(N)C(F)(F)F	159683801	QMIGUHUGRRGVJA-KWQFWETISA-N	311.304	0.018	70	10	DCIE	
Cc1ccn2ncc(C(=O)NC[C@@H](O)CN3CCCCC3)c2n1	159916580	SNINPRVVMMCSCD-CYBMUJFWSA-N	317.393	0.614	70	10	DCIE	
CS(=O)(=O)c1csc(C(=O)N2CCCC[C@@H]2C(N)=O)c1	159924742	SMIRXXGWMOTFIT-SECBINFHSA-N	316.404	0.632	70	10	DCIE	
CNc1ncccc1S(=O)(=O)NCC(=O)NC(C)(C)C	159970890	JBXJQYRHGCWZGY-UHFFFAOYSA-N	300.384	0.316	70	10	DCIE	
CC(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)CS(C)(=O)=O	160435398	SDCBRLGJFZYVOX-QWHCGFSZSA-N	304.456	0.904	70	10	DCIE	
C[C@@H](Cn1cncn1)NC(=O)c1cc(S(C)(=O)=O)cs1	160837145	IORXKBHLPAODQI-QMMMGPOBSA-N	314.392	0.562	70	10	DCIE	
CC(=O)N(CCN)C(=O)Nc1ccc(NS(C)(=O)=O)cc1	217282858	WBWGALFDPXENQS-UHFFFAOYSA-N	314.367	0.397	70	10	DCIE	
Cc1nn(C2CCS(=O)(=O)CC2)cc1CS(=O)(=O)F	757196738	WZYRDWNJYOHRIR-UHFFFAOYSA-N	310.372	0.741	70	10	DCIE	
CC(=O)c1c[nH]ccc1=NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1529510893	DZKBTMSUHHVYGM-UHFFFAOYSA-N	311.294	0.945	70	10	DCIE	
C#C[C@H](C)N(C)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1963993214	MQRIEJCPASFUAC-VIFPVBQESA-N	305.352	0.987	70	10	DCIE	
C[C@@H](C(=O)NC1CCN(S(=O)(=O)F)CC1)n1cccn1	1974401632	DUJUALGGCJJVRK-VIFPVBQESA-N	304.347	0.239	70	10	DCIE	
C[C@H](CCCN1CCCS(=O)(=O)CC1)S(=O)(=O)Cl	2037935604	MAKNJUWVUUOXEP-SNVBAGLBSA-N	317.860	0.844	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)c2ncccc2F)C1	2088468854	GYCRRFIMOOICPQ-SSDOTTSWSA-N	312.319	0.283	70	10	DCIE	
C[C@@H]1CN(c2ncncc2[B-](F)(F)F)C[C@@H](C)S1(=O)=O	2116147833	HZHMRXWADONTBA-HTQZYQBOSA-N	308.114	0.543	70	10	DCIE	
O=C1CCCCCN1CC(=O)N1CC[C@@H](S(=O)(=O)F)C1	2144732519	GSPWCBCGOWJUBP-SNVBAGLBSA-N	306.359	0.289	70	10	DCIE	
Cc1nc(N2CCC(S(C)(=O)=O)CC2)ncc1[B-](F)(F)F	2172767223	RDHLFHQWUPIBHH-UHFFFAOYSA-N	322.141	0.853	70	10	DCIE	
COC[C@H](CC(C)C)C(=O)NCC1CN(S(=O)(=O)F)C1	2193447769	WQTREEXLURZLDI-NSHDSACASA-N	310.391	0.557	70	10	DCIE	
O=C(NC[C@H]1[C@@H]2CCO[C@@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2330687972	LUPFIQXLZADQKK-NRPADANISA-N	304.755	0.707	70	10	DCIE	
COC(=O)Cn1ncc(N[C@@H]2CCCCNC2)c(Cl)c1=O	159479514	LCSFPXLHKBYZRN-SECBINFHSA-N	314.773	0.624	70	10	DCIE	
Cc1c(F)cc(N)cc1S(=O)(=O)NCC(=O)NC(C)(C)C	159848736	LNLGBSVVUXNLCY-UHFFFAOYSA-N	317.386	0.909	70	10	DCIE	
CC(C)Cn1ncc(N(C)C[C@H]2CNCCO2)c(Cl)c1=O	159853913	SWNCVGOCYNAQEV-LLVKDONJSA-N	314.817	0.977	70	10	DCIE	
C[C@H](NC(=O)Cc1csc(NS(C)(=O)=O)n1)[C@@H](C)CO	160350293	YVMANTVLKWNKBC-YUMQZZPRSA-N	321.424	0.190	70	10	DCIE	
CCCCOCCOC[C@H](O)CNCCNC(=O)C1CC1	160731180	KBNSKHIILYHFLZ-CQSZACIVSA-N	302.415	0.296	70	10	DCIE	
CCCCOCCOC[C@@H](O)CNCCNC(=O)C1CC1	160731315	KBNSKHIILYHFLZ-AWEZNQCLSA-N	302.415	0.296	70	10	DCIE	
CCNC(=O)C1CN(C(=O)CCc2cccc(C(=O)NC)c2)C1	161297552	INUFSYPKMDOYCR-UHFFFAOYSA-N	317.389	0.573	70	10	DCIE	
CO[C@]1(CNC(=O)c2cc(S(=O)(=O)Cl)c[nH]2)CCOC1	161475434	NEHXIECCUZYYAG-NSHDSACASA-N	322.770	0.478	70	10	DCIE	
C[S@@](=O)CCNC(=O)c1ccccc1S(=O)(=O)Cl	310592461	FYVMXHNZILZSBO-QGZVFWFLSA-N	309.796	0.722	70	10	DCIE	
O=S(=O)(F)C[C@@H]1OCCC12C[C@@H]1CC[C@H](C2)S1(=O)=O	757210883	LLFUOCWVKSBKGK-JDUUOCRZSA-N	312.384	0.801	70	10	DCIE	
CC#CCN(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1567303996	UIFKBJKBAAGZTQ-UHFFFAOYSA-N	301.343	0.358	70	10	DCIE	
CCc1c(C(=O)N2CC[C@H](S(=O)(=O)F)C2)nnn1CC	1923533388	ODCNJCQJNGPWPO-QMMMGPOBSA-N	304.347	0.374	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	2164433157	CEDAHNSNDPRQBZ-AYMMMOKOSA-N	312.313	0.540	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@]2(C)C(F)F)[nH]1	2177452936	VXSSWLRORVMQKQ-RRAGMBSWSA-N	311.285	0.730	70	10	DCIE	
O=C(CC1CC(F)(F)C1)N[C@H]1CCN(S(=O)(=O)F)C1	2271497479	ILYDFOSJQSAEIP-QMMMGPOBSA-N	300.302	0.827	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1CC12CC(F)(F)C2	2287080368	ZJPOAYLHNIMSKP-JGVFFNPUSA-N	312.313	0.827	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@@H](C)Cn2cccn2)cc1N	159588707	NMZDCOADGRCFNJ-JTQLQIEISA-N	309.395	0.874	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)NC[C@H]2CCOC2)c1	163319081	MCRGEPYRNSZALY-SECBINFHSA-N	323.367	0.660	70	10	DCIE	
CC(C)n1c([C@H](C)S(C)(=O)=O)nnc1S(=O)(=O)Cl	168027102	NZUHLQPACLNVJV-LURJTMIESA-N	315.804	0.892	70	10	DCIE	
COc1ccc([C@H](O)CNC(=O)C(=O)NCC(C)C)cc1OC	217378548	ROZYYLMJLLKUQH-GFCCVEGCSA-N	324.377	0.626	70	10	DCIE	
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[C@@H](O)CC	218087875	YYXIOHOKPGRSQZ-NWDGAFQWSA-N	306.428	0.468	70	10	DCIE	
CO[C@@H]1CCN(C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	234844941	MKLBQVGRJUBHTG-SSDOTTSWSA-N	307.759	0.507	70	10	DCIE	
CON1CC[C@@H](OC(=O)c2ccc(S(=O)(=O)F)cc2)C1=O	922781482	NNOZFGJFHMGRGV-SNVBAGLBSA-N	317.294	0.664	70	10	DCIE	
O=S(=O)(Cl)C[C@]12C[C@@H]1CO[C@@]21CCS(=O)(=O)C1	958532253	DZOZCYJUKBHQTO-IWSPIJDZSA-N	300.785	0.149	70	10	DCIE	
CO[C@H](C)CNC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1732970691	ASXQNRJKCSCQIR-RKDXNWHRSA-N	321.374	0.416	70	10	DCIE	
C[C@H](Br)CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1	1901501357	HVIPZAWQXFKEMU-BQBZGAKWSA-N	317.180	0.565	70	10	DCIE	
CC(=O)N1CCC[C@@H](C(=O)N2CC(CS(=O)(=O)F)C2)C1	1968216254	VLKFVFYMTLSQAW-LLVKDONJSA-N	306.359	0.003	70	10	DCIE	
Cc1ncnc(C)c1C(=O)N1CCC[C@H](S(=O)(=O)F)C1	1968226370	AZBSPBSPXJIMBR-JTQLQIEISA-N	301.343	0.997	70	10	DCIE	
CCc1nnc(C)cc1C(=O)N1CC[C@@H](S(=O)(=O)F)C1	1968234739	FHIYOFKTGHQTAG-SECBINFHSA-N	301.343	0.861	70	10	DCIE	
C[C@@H]1CCO[C@@H]1CC(=O)NC1CCN(S(=O)(=O)F)CC1	1974394655	MRABCAOWBCZUNQ-MWLCHTKSSA-N	308.375	0.596	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)C2CCOCC2)C1	2088473062	XAOVYCKVVIDCOL-SNVBAGLBSA-N	315.388	0.259	70	10	DCIE	
Cc1nn([C@H]2CC(=O)N(C)C2=O)c(C)c1S(=O)(=O)Cl	2096083272	ASRUGXPZOPDXDJ-ZETCQYMHSA-N	305.743	0.357	70	10	DCIE	
O=C1CC[C@H]1CS(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2121678237	LWGQEKVHTCAAOD-QMMMGPOBSA-N	313.372	0.059	70	10	DCIE	
COCCOC1CN(c2nc(C)nc(C)c2[B-](F)(F)F)C1	2172771356	YRMDXUNOUJQFOJ-UHFFFAOYSA-N	304.101	0.999	70	10	DCIE	
COc1nc(N2C[C@H]3[C@H](N(C)C)[C@H]3C2)ncc1[B-](F)(F)F	2172771438	ZTGIKGPDHNHOKP-MBTKJCJQSA-N	301.101	0.536	70	10	DCIE	
O=C(c1cc([N+](=O)[O-])cnc1Cl)N1CC(S(=O)(=O)F)C1	2199682671	NKVCOPHXRVTYEX-UHFFFAOYSA-N	323.689	0.767	70	10	DCIE	
Cc1cc(C(=O)NC2CN(S(=O)(=O)F)C2)nc(Cl)n1	2268805047	WEUKLRDPCBFAFB-UHFFFAOYSA-N	308.722	0.067	70	10	DCIE	
COc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)cc1C	2284153414	LQYQWUVTJFAAGS-UHFFFAOYSA-N	302.327	0.632	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(C)C[C@@H]2CCCN2C)cc1N	159648415	QZSNTXIBYFXLIV-LBPRGKRZSA-N	312.439	0.707	70	10	DCIE	
CC(=O)N[C@@H](C)C(=O)Nc1cccnc1N1CCC(CO)CC1	159762475	ZXNHEAUHWMSZLD-NSHDSACASA-N	320.393	0.753	70	10	DCIE	
Cc1csc(=O)n1CC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	160690519	OWMIHONYMOPTHR-WDEREUQCSA-N	309.391	0.345	70	10	DCIE	
C[C@H](Oc1cccc(CO)c1)C(=O)NCCCN1CCOCC1	160748637	JSJWCHYPRYLUTP-AWEZNQCLSA-N	322.405	0.785	70	10	DCIE	
O=C(NCc1ccc(O)c(F)c1)N[C@H]1CCc2ncnn2C1	161234431	HTFGSGKAPQLZIQ-JTQLQIEISA-N	305.313	0.937	70	10	DCIE	
CNCc1ccc(F)c(S(=O)(=O)NCCCN(C)C)c1	217415176	GTTSMBGESZCWJV-UHFFFAOYSA-N	303.403	0.775	70	10	DCIE	
CCC(=O)NCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1736865499	MPZVENWPRASINV-UHFFFAOYSA-N	305.331	0.319	70	10	DCIE	
O=C([C@@H]1COCCC1(F)F)N1CC[C@@H](S(=O)(=O)F)C1	1973300592	VGJBWMIMOPDPTH-SFYZADRCSA-N	301.286	0.558	70	10	DCIE	
CS(=O)(=O)CCC(=O)Nc1ccc(S(=O)(=O)F)nc1	2110210907	OPGJGYYQPHBVOD-UHFFFAOYSA-N	310.328	0.113	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1C[C@@H]2OCCO[C@H]2C1	2149759481	AFWJFYDFYNMTPQ-UWVGGRQHSA-N	320.754	0.182	70	10	DCIE	
C[C@H]1CC[C@@H](CCn2cc(S(=O)(=O)Cl)c(O)nc2=O)O1	2161164059	LKHKRLZLEMZPEC-YUMQZZPRSA-N	322.770	0.834	70	10	DCIE	
O=C(N1CCN(S(=O)(=O)F)CC1)[C@]12CCC[C@@H]1CSC2	2201878085	TXOPRSMFHXMWDX-PWSUYJOCSA-N	322.427	0.878	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)CCS(C)(=O)=O)n1	2265798696	DQLQLNMBTYBXRD-UHFFFAOYSA-N	311.114	0.625	70	10	DCIE	
CS(=O)(=O)N1CCC[C@H](Oc2ncc([B-](F)(F)F)cn2)C1	2285595316	KLSSOLLLBNEWIG-VIFPVBQESA-N	324.113	0.334	70	10	DCIE	
CCc1onc(C)c1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287062741	JMVGFLYYKHYEOW-QMMMGPOBSA-N	305.331	0.564	70	10	DCIE	
CC1(C)COC[C@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2364436240	FRUCFYQVMFAVEO-SSDOTTSWSA-N	322.770	0.549	70	10	DCIE	
CC[C@@H](COC)NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	115020976	ZYZDVWPPSRAVSO-ZETCQYMHSA-N	309.775	0.800	70	10	DCIE	
COc1ccccc1C(=O)NC[C@@H](O)Cn1ccccc1=O	218406088	XXTXUZNYIMIGSD-GFCCVEGCSA-N	302.330	0.648	70	10	DCIE	
CC(C)[C@@H](O)C(C)(C)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2365776919	SEAWNZNCVNSMHH-NXEZZACHSA-N	310.391	0.434	70	10	DCIE	
C#CCCNC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1271111320	CFMOYKWTUXRDFX-JTQLQIEISA-N	315.370	0.746	70	10	DCIE	
C=CCNC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1569320124	MCBXRWHZLQAGQV-GFCCVEGCSA-N	315.370	0.957	70	10	DCIE	
CCCNC/C=C\CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1669045428	INJDBXWLJRLLJQ-ARJAWSKDSA-N	303.359	0.959	70	10	DCIE	
C=CCNC(=O)[C@@H](C)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215926929	HUGYVPLRJHLQSA-ZCFIWIBFSA-N	322.730	0.582	70	10	DCIE	
C[C@H](NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)NCC(F)(F)F	159830119	UXMFBHZPUATDQK-HBNTYKKESA-N	309.332	0.506	70	10	DCIE	
C[C@H]1CC[C@@H](Cn2cc(S(=O)(=O)Cl)c(=O)[nH]c2=O)O1	232023564	MUOCMTSKZADNIL-BQBZGAKWSA-N	308.743	0.032	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@@H]3COC[C@H]32)c1S(=O)(=O)Cl	2143880846	WMZVTHUJAHZNCR-BWZBUEFSSA-N	319.770	0.410	70	10	DCIE	
CCOc1cc(N)cc(C(=O)NCCCS(C)(=O)=O)c1	159674009	ZZZACHGJNBHQEK-UHFFFAOYSA-N	300.380	0.832	70	10	DCIE	
CC(C)(C)NC(=O)CNC[C@H]1CCCN(S(C)(=O)=O)C1	159891844	RDYNZSBOJJMJLK-LLVKDONJSA-N	305.444	0.162	70	10	DCIE	
C[C@@H]1CN(CCn2cnc(S(=O)(=O)Cl)c2)C[C@@H](C)O1	313795825	KSFGDUVFNOYKLX-NXEZZACHSA-N	307.803	0.920	70	10	DCIE	
CS(=O)(=O)C[C@H]1CN(c2ccncc2[B-](F)(F)F)CCO1	2172780227	NOFYOMHFHNGGRN-SECBINFHSA-N	323.125	0.386	70	10	DCIE	
C[C@H]1[C@@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)C1(F)F	2112724798	NPZPPKHCBPZULN-XPUUQOCRSA-N	300.302	0.683	70	10	DCIE	
COCCn1c(C23CC(C)(CO2)C3)nnc1S(=O)(=O)Cl	2205379807	KSTVKWPIOBNYQP-UHFFFAOYSA-N	321.786	0.878	70	10	DCIE	
C[C@]1(C(F)F)C[C@@H]1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271484573	FDYHHHLQFVNINO-XSSZXYGBSA-N	300.302	0.683	70	10	DCIE	
COC[C@@]12CN(c3ncncc3[B-](F)(F)F)C[C@H]1CCO2	2239905147	VFNFJMHIVXZXHC-SKDRFNHKSA-N	302.085	0.773	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cc(F)cc(F)c1	2287076030	QEQGJVYWIOJTRJ-SNVBAGLBSA-N	308.281	0.983	70	10	DCIE	
CN(C)S(=O)(=O)NCC(=O)N1CC[C@](C)([B-](F)(F)F)C1	2342479679	JSHOHIXGEDUMOY-VIFPVBQESA-N	316.134	0.222	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1[C@H]2CCCC(F)(F)[C@@H]12	2359394927	RMWANMRMQIVMRJ-HRDYMLBCSA-N	312.313	0.683	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1OC[C@@H]2CCC[C@H]12	2359646844	FFVYFDJYTCYDCG-VLEAKVRGSA-N	306.359	0.206	70	10	DCIE	
Cc1[nH]nc(C(=O)N2CCN(C)[C@H]3C[C@H]32)c1S(=O)(=O)Cl	2168372708	RTLXCHUGGREVOX-JGVFFNPUSA-N	318.786	0.174	70	10	DCIE	
CCOC(=O)c1cnn(-c2cnccn2)c1S(=O)(=O)Cl	133809303	NPFDOMFTYWWWTF-UHFFFAOYSA-N	316.726	0.767	70	10	DCIE	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](S(=O)(=O)F)C1	1885610192	JKYFWBMVELJURH-RKDXNWHRSA-N	324.374	0.800	70	10	DCIE	
C[C@H]1OCC[C@]1(C)NC(=O)c1cncc(OS(=O)(=O)F)c1	1887514078	KWSQMIWOOPUGOQ-PELKAZGASA-N	318.326	0.972	70	10	DCIE	
N#CCNC(=O)COc1ccc(S(=O)(=O)Cl)cc1F	216019493	YTKYOUXMHZFMDB-UHFFFAOYSA-N	306.702	0.772	70	10	DCIE	
O=C(NC[C@@H]1[C@@H]2CCO[C@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2119903167	LUPFIQXLZADQKK-QXFUBDJGSA-N	304.755	0.707	70	10	DCIE	
C[C@H](O)CN[C@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1662974610	LZMNJDHYHSJSLR-BDAKNGLRSA-N	321.374	0.152	70	10	DCIE	
CO[C@@H](C)CN[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1774037806	GKYKLMBUSAMQCQ-IUCAKERBSA-N	321.374	0.416	70	10	DCIE	
C[C@@]1(C(=O)Nc2cc(S(C)(=O)=O)ccc2O)COC[C@H]1N	160318939	PZVBYHYKNYSRAW-DGCLKSJQSA-N	314.363	0.098	70	10	DCIE	
CCc1cc(O)nc(CN2CCCN(CC(=O)N(C)C)CC2)n1	160806937	GHLWEXDSWFLKHK-UHFFFAOYSA-N	321.425	0.341	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2C[C@@H]2OC)c1S(=O)(=O)Cl	2131644051	GOEATPPYFAESNX-BQBZGAKWSA-N	307.759	0.417	70	10	DCIE	
C[C@@H]1CCCN(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)C1	2134975104	ADMNSNJNHDPUTK-SECBINFHSA-N	314.404	0.194	70	10	DCIE	
CN(C)c1ccc(C(=O)N2CC(CS(=O)(=O)F)C2)cn1	1968227429	OKGWATXWPOYLLN-UHFFFAOYSA-N	301.343	0.519	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)CCOCC(F)F)n1	1923179068	WNHAGUKCZUTOJR-UHFFFAOYSA-N	315.273	0.689	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1csc([N+](=O)[O-])c1	1974061045	ZXGLPGSTLWZJFM-UHFFFAOYSA-N	323.327	0.532	70	10	DCIE	
COc1ccc(OC[C@@H]2CCS(=O)(=O)N2)c([B-](F)(F)F)c1	2146192339	PONSMQPQQASBAJ-QMMMGPOBSA-N	324.109	0.820	70	10	DCIE	
O=C(c1cnnn1C1CC1)N1CCC(S(=O)(=O)F)CC1	2153882102	CTVRJWFJCOPXCE-UHFFFAOYSA-N	302.331	0.517	70	10	DCIE	
CO[C@@H](Cn1cc(S(=O)(=O)Cl)c(O)nc1=O)C1CC1	400286869	ORYLTVNKSDDWOI-ZETCQYMHSA-N	308.743	0.301	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1[C@@H]1CCN(C)C1=O	312222902	CKSATRNEGLUTKC-ZCFIWIBFSA-N	322.730	0.430	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@H]2COC[C@H]21	2174646818	FEPBIOOACPKHSC-JZYVYDRUSA-N	318.782	0.810	70	10	DCIE	
CCN(CC)Cc1nnc(S(=O)(=O)Cl)n1CCOC	2092370411	HHXHWOCTRAXVAS-UHFFFAOYSA-N	310.807	0.694	70	10	DCIE	
O=C1CCC(=O)N1CCCn1cnc(S(=O)(=O)Cl)c1	2113410367	GCDQADUQLJAVAO-UHFFFAOYSA-N	305.743	0.350	70	10	DCIE	
COC1(C(=O)N2CC(CCS(=O)(=O)F)C2)CC(CF)C1	2281169666	JVEMFWVOLWFSTA-UHFFFAOYSA-N	311.350	0.899	70	10	DCIE	
CC(C)n1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)n1	2287077112	KTWDOTZJIVZKII-SECBINFHSA-N	304.347	0.482	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NCCN2CCOCC2)c1F	159449960	XEOVGHXPUPMFDX-UHFFFAOYSA-N	317.386	0.327	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2c(C)ccc(N)c2C)CCOC1	159909599	LJSZDDZAMKWCRZ-CQSZACIVSA-N	314.407	0.969	70	10	DCIE	
CN([C@H]1CCOC1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	166225513	XWLQSCAFIIABBC-VIFPVBQESA-N	323.367	0.754	70	10	DCIE	
Cn1cncc1Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215923199	LPZRMDKEYJUTHX-UHFFFAOYSA-N	305.703	0.501	70	10	DCIE	
O=C(NCc1ccccc1)NC[C@H](O)Cn1ccccc1=O	218454482	NUJVVBANMJIGCU-AWEZNQCLSA-N	301.346	0.709	70	10	DCIE	
CCC(=O)NCCN(CC)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1737783337	KWMUHFDIQNFQPZ-UHFFFAOYSA-N	319.358	0.661	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cc(Cl)ncn1	2108153436	ISRJZLKDRPPJDR-UHFFFAOYSA-N	308.722	0.006	70	10	DCIE	
CN(C)C(=O)COc1ccc(S(=O)(=O)F)cc1C(=O)O	2191433562	ADGRDXJSSXGMHJ-UHFFFAOYSA-N	305.283	0.510	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@H]1Br	2244561262	GZXSYCXCHILFHK-DSYKOEDSSA-N	315.164	0.175	70	10	DCIE	
CC(C)CCS(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2258998186	VGLOTXVSGGKJNL-VIFPVBQESA-N	302.393	0.241	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccc(F)cc1O	2287078293	ZNYATCVBMQPEHX-QMMMGPOBSA-N	306.290	0.550	70	10	DCIE	
C[C@@H]1CC(OCCS(=O)(=O)Cl)C[C@@H](C)S1(=O)=O	2307469014	CPODOPMHFQURNE-HTQZYQBOSA-N	304.817	0.926	70	10	DCIE	
NS(=O)(=O)Nc1c(F)cc(S(=O)(=O)Cl)cc1F	100644099	LFRBTEFWIZECFZ-UHFFFAOYSA-N	306.699	0.508	70	10	DCIE	
Cc1nc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c(=O)[nH]c1C	159538485	WTTXIFKADDXFIH-QWRGUYRKSA-N	322.409	0.616	70	10	DCIE	
CCNC(=O)CN(CC)c1ccc(S(=O)(=O)NC)c(N)c1	159597537	FYWDGIAOPVNSAM-UHFFFAOYSA-N	314.411	0.139	70	10	DCIE	
Cc1cnn(Cc2cc(C(=O)NCC(=O)NC3CC3)no2)c1	160180939	YVPWWWXVGXOHBH-UHFFFAOYSA-N	303.322	0.236	70	10	DCIE	
O=C(Cc1cccc(F)c1)NCC(=O)N1C[C@@H]2CCC[C@H](C1)N2	160503567	GNGKGRAWODWWMR-GASCZTMLSA-N	319.380	0.837	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1cc(C(N)=S)cc(C)n1	161364466	OCPRHNQPQLPYSD-NSHDSACASA-N	308.407	0.366	70	10	DCIE	
O=C(Nc1nc[nH]n1)N[C@H]1CC(=O)N(Cc2ccccc2)C1	217287262	GNRLKHJIZHMWID-NSHDSACASA-N	300.322	0.727	70	10	DCIE	
CCCNC(=O)C(=O)NC[C@@H](O)c1ccc(OC)c(OC)c1	217378140	YBEQTMDQSLTMIV-LLVKDONJSA-N	310.350	0.380	70	10	DCIE	
CCN(CC)CCC[C@@H](C)NS(=O)(=O)N(C)CCCO	217962255	NDBPZUAQOSURKQ-CYBMUJFWSA-N	309.476	0.646	70	10	DCIE	
Cn1cnc2c(S(=O)(=O)CCS(=O)(=O)Cl)nccc21	236099770	IJKSDJSQODGYSI-UHFFFAOYSA-N	323.783	0.311	70	10	DCIE	
CCN(C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl)[C@H]1CCOC1	312584486	QCKMQVCRNIGQGP-QMMMGPOBSA-N	321.786	0.897	70	10	DCIE	
C=CCNC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1271113811	UFEKWIGMORZUHC-VIFPVBQESA-N	303.359	0.909	70	10	DCIE	
C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N(C)C[C@@H](C)O	1485352963	PIKHDVULQBMPOV-DTWKUNHWSA-N	321.374	0.104	70	10	DCIE	
CC#CCN[C@@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1674730168	ZRRQKVGCPPRJLU-VHSXEESVSA-N	315.370	0.793	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cnc(Cl)n2C)[nH]1	1923163256	DFNMXDPBRCTLPW-UHFFFAOYSA-N	321.721	0.139	70	10	DCIE	
O=S(=O)(OCC(F)(F)Sc1nn[nH]n1)C(F)(F)F	1923840860	XRKQYATZBRSCQX-UHFFFAOYSA-N	314.217	0.751	70	10	DCIE	
CN(C)c1ccc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)cn1	1968235715	OGBCKPLKQAOJSS-SNVBAGLBSA-N	301.343	0.661	70	10	DCIE	
O=c1cnc(-c2nnc(S(=O)(=O)Cl)n2C2CC2)c[nH]1	2110825979	JJBRRBLUKABCCS-UHFFFAOYSA-N	301.715	0.291	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC(=O)NC(C)C	2125954454	VBKQMUKCDBIDOH-UHFFFAOYSA-N	309.775	0.482	70	10	DCIE	
CC(C)n1c([C@@H]2CO[C@@H]3COC[C@@H]32)nnc1S(=O)(=O)Cl	2158054263	BMTAKXNSOPODLD-IWSPIJDZSA-N	321.786	0.915	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1CCOC[C@@H]1CF	2182570670	VHSULTUCNLYKGV-QMMMGPOBSA-N	324.761	0.763	70	10	DCIE	
CCCn1nccc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287064762	GDXRTZRTNNVJLY-SECBINFHSA-N	304.347	0.312	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCO[C@@H]3CCC[C@@H]32)cc1N	159605717	OOWLWYGSQBEYGM-QWHCGFSZSA-N	311.407	0.935	70	10	DCIE	
Cc1noc([C@@H](C)N2CCN(C(=O)C[C@@H](O)C(C)C)CC2)n1	159662037	BDKUJDPKPSMZEE-DGCLKSJQSA-N	310.398	0.990	70	10	DCIE	
O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)[C@@H]1CSCN1	160141466	DDMYZERPSVXRLK-OLZOCXBDSA-N	305.403	0.961	70	10	DCIE	
COC[C@H](O)CCNC(=O)c1ccccc1OCCN(C)C	161339138	LSSAWNWJRCUVCS-CYBMUJFWSA-N	310.394	0.754	70	10	DCIE	
CCn1ncc(Br)c1[C@H](NN)[C@@H]1COCCO1	161391090	XESHKGJORDWZLP-DTWKUNHWSA-N	305.176	0.585	70	10	DCIE	
CN(C[C@@H]1CC[C@@H](CNC2CC2)O1)[C@@H]1CCS(=O)(=O)C1	216693480	OLXLKRXSRONJTN-RDBSUJKOSA-N	302.440	0.405	70	10	DCIE	
O=C(N[C@H]1C[C@H](CNCCF)C1)c1cc(S(=O)(=O)F)c[nH]1	1675791955	KKJMVWXPVWIKQX-KYZUINATSA-N	321.349	0.740	70	10	DCIE	
CC#CCN(C)[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1717489109	JASSRRFFRFNQCO-JTQLQIEISA-N	315.370	0.746	70	10	DCIE	
CC(C)(C)OC(=O)NNS(=O)(=O)CCCS(=O)(=O)F	1923607289	MRAYZUXGMULKIL-UHFFFAOYSA-N	320.364	0.035	70	10	DCIE	
CO[C@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C1	1974001547	VVQYKZZSBJWCEJ-MNOVXSKESA-N	308.375	0.550	70	10	DCIE	
CO[C@@H]1CCC[C@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C1	1974059923	PNFMEFZUIWEMJK-WDEREUQCSA-N	308.375	0.454	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)[C@@H]1CCCC[C@H]1F	2006781720	QHGREWKIULXMLV-HTQZYQBOSA-N	307.796	0.755	70	10	DCIE	
CCOc1ccnc(S(=O)(=O)CCS(=O)(=O)Cl)c1	2041212558	TVSCKDOWIHSDSY-UHFFFAOYSA-N	313.784	0.823	70	10	DCIE	
CC1(C)CO[C@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2104992532	NFPLISAFZACZRT-ZETCQYMHSA-N	308.743	0.301	70	10	DCIE	
C[C@H](CCS(C)(=O)=O)N(C)c1ncc([B-](F)(F)F)cn1	2116138834	RCFLQQSYFCIFBO-MRVPVSSYSA-N	310.130	0.790	70	10	DCIE	
CCO[C@H]1C[C@H](NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	2145686753	ZFQGNFDQYFGMNS-ZKCHVHJHSA-N	321.786	0.943	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2[C@@H]3COC[C@@H]32)c1S(=O)(=O)Cl	2174701292	LACXQRDXDAOMIA-RNLVFQAGSA-N	319.770	0.268	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCN3CCOC[C@@H]3C2)n1	2185882849	SDPWFNMCVQCZRF-JTQLQIEISA-N	301.101	0.360	70	10	DCIE	
O=C([C@@H]1C[C@H]2COC[C@H](C2)C1)N1CC[C@@H](S(=O)(=O)F)C1	2206846430	WLZBDAWVODNJAN-NOOOWODRSA-N	305.371	0.949	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1nccnc1Cl	2271485500	OGHXMJALBLZEHZ-ZCFIWIBFSA-N	308.722	0.148	70	10	DCIE	
CS(=O)(=O)[C@@H]1CC[C@]2(CC(=O)N2S(=O)(=O)Cl)C1	2299778504	NDFPIIVGAGGKIR-HTRCEHHLSA-N	301.773	0.038	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)n1	2361647858	JLNNFRIGFLXQGF-BDAKNGLRSA-N	320.125	0.381	70	10	DCIE	
CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2NCCc3ccccc32)C1	159397483	WLSHGOZWBAERJD-OCCSQVGLSA-N	323.418	0.024	70	10	DCIE	
C[C@@H]1CCN(c2cnn(CCN(C)C)c(=O)c2Cl)C[C@@H]1N	159486654	VIJWBWQDKTXBHP-MNOVXSKESA-N	313.833	0.632	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)c1ccc(Cl)nn1	159512170	VANUZXRMXCNNRY-JTQLQIEISA-N	312.757	0.497	70	10	DCIE	
CC(C)CN1CCC[C@@H]1CNS(=O)(=O)N1CCOCC1	160273383	QBEDJWINZOAIAY-CYBMUJFWSA-N	305.444	0.273	70	10	DCIE	
Nc1c(C(=O)NCCNC(=O)C2CC2)sc2nccnc12	161004333	WSGRLCAWMSZFTE-UHFFFAOYSA-N	305.363	0.530	70	10	DCIE	
O=C(NCc1cccs1)NC[C@@H](O)Cn1ccccc1=O	218455516	SPXJXWQIZVTCHS-LLVKDONJSA-N	307.375	0.770	70	10	DCIE	
O=C(Nc1ccccc1S(=O)(=O)F)[C@H]1CCS(=O)(=O)C1	228313124	QIMJYOVNUYVRHG-QMMMGPOBSA-N	321.351	0.718	70	10	DCIE	
Cc1nc(NC(=O)c2cnn(C)n2)sc1S(=O)(=O)Cl	311845747	OEGHBOXGKDIXCZ-UHFFFAOYSA-N	321.771	0.760	70	10	DCIE	
O=C1C[C@]2(CCCS(=O)(=O)C2)[C@@H](CS(=O)(=O)Cl)O1	675052239	BWUUPXMXOWMFSX-APPZFPTMSA-N	316.784	0.066	70	10	DCIE	
O=C(N[C@H]1CCc2cncn2C1)c1cc(S(=O)(=O)F)c[nH]1	1521575170	ITVBVDFHRDAIDS-QMMMGPOBSA-N	312.326	0.614	70	10	DCIE	
CCn1nc(C)c(C(=O)Nc2ncc(S(=O)(=O)F)s2)n1	1596004282	HBQPEJPMTXNVLL-UHFFFAOYSA-N	319.343	0.973	70	10	DCIE	
COc1ccc(C(=O)NCCN(C)C)cc1S(=O)(=O)Cl	1858135831	CWRVIESNMCJKLT-UHFFFAOYSA-N	320.798	0.914	70	10	DCIE	
CCCn1c(CCn2cncn2)nnc1S(=O)(=O)Cl	2090394622	UHOAONCGGHEMNB-UHFFFAOYSA-N	304.763	0.450	70	10	DCIE	
COc1nn(Cc2nnc(C)o2)c(OC)c1S(=O)(=O)Cl	2149827582	QMNNMSRTCLFKQK-UHFFFAOYSA-N	322.730	0.568	70	10	DCIE	
Cc1[nH]nc(C(=O)N2CC[C@]3(CCO3)C2)c1S(=O)(=O)Cl	2153322644	GVXYXGZZKYMJPY-NSHDSACASA-N	319.770	0.651	70	10	DCIE	
COCCn1nnnc1Sc1nc(C)ncc1[B-](F)(F)F	2172724500	FAIXKCSIXASFMW-UHFFFAOYSA-N	319.101	0.624	70	10	DCIE	
COCCOCCN(C)c1ncc([B-](F)(F)F)c(OC)n1	2172766591	ITWZHNBXOHGJSW-UHFFFAOYSA-N	308.089	0.639	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCN1CCOC1=O	2182343438	IWKVCFWXKKVFJY-UHFFFAOYSA-N	323.758	0.409	70	10	DCIE	
O=S1(=O)CC[C@H]2CN(c3ncc(F)cc3[B-](F)(F)F)C[C@@H]21	2188590937	TWIHGSZOEBTVTF-XVKPBYJWSA-N	323.100	0.898	70	10	DCIE	
C[C@@H]1OCC[C@H]1CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2196505737	VPRYKACDXCRDLT-JGVFFNPUSA-N	322.770	0.692	70	10	DCIE	
Cc1ncnc(C)c1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287065810	QZLGYYBDBDRSHR-VIFPVBQESA-N	302.331	0.112	70	10	DCIE	
COc1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cc1	2287074742	IZYBKSNCJJPJOE-JTQLQIEISA-N	302.327	0.714	70	10	DCIE	
Cc1cc(C)c(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cn1	2287076901	KILLYYZKWYDTFE-SNVBAGLBSA-N	301.343	0.717	70	10	DCIE	
CN(c1cnn(CCO)c(=O)c1Cl)[C@@H]1CCC[C@@H]1CN	159669802	SUQGMHTXMHSIDM-NXEZZACHSA-N	300.790	0.453	70	10	DCIE	
CN1C[C@H](NS(=O)(=O)c2cc(F)cc(F)c2)CCC1=O	160074620	CEDIIUFDGJMJPQ-SNVBAGLBSA-N	304.318	0.864	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCNC(=O)[C@@H]1CC	160524881	WOCGJUVXGGTHII-JTQLQIEISA-N	308.338	0.221	70	10	DCIE	
CC(C)NCCn1cc(S(=O)(=O)NC[C@H]2C[C@H]2C)cn1	160832906	VDXBXXIIZNUSJW-VXGBXAGGSA-N	300.428	0.815	70	10	DCIE	
C[C@](O)(CO)CNS(=O)(=O)/C=C\c1ccc(Cl)cc1	218165691	RRSCTIIHEJVQFG-ZHRWSRJISA-N	305.783	0.973	70	10	DCIE	
CCC(=O)N[C@@H](CC)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1704683368	HFJUEVMJXXHSBE-QMMMGPOBSA-N	319.358	0.708	70	10	DCIE	
COc1cc(OC)cc(C(=O)N2CC(S(=O)(=O)F)C2)c1	1968216719	DBIKICBUZPPXEW-UHFFFAOYSA-N	303.311	0.828	70	10	DCIE	
Cn1c([C@H]2CCCS(=O)(=O)C2)nnc1S(=O)(=O)Cl	2029369665	GEMJNSKLJXTCMY-LURJTMIESA-N	313.788	0.035	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ccn2ccnc2n1	2034515112	IITLPBIQHLJERW-UHFFFAOYSA-N	309.756	0.072	70	10	DCIE	
Cn1c(S(=O)(=O)CCS(=O)(=O)Cl)nc2ccccc21	2092418558	HKCIXGKEBJBFOS-UHFFFAOYSA-N	322.795	0.916	70	10	DCIE	
CO[C@@H](C(=O)N1CCC(S(=O)(=O)F)CC1)[C@@H]1CCOC1	2150277174	AEKFSWVTHCFSIT-MWLCHTKSSA-N	309.359	0.328	70	10	DCIE	
CS(=O)(=O)N[C@H]1CCCN(c2ccncc2[B-](F)(F)F)C1	2172786442	RRMDFOCTDUHTBW-VIFPVBQESA-N	322.141	0.654	70	10	DCIE	
O=C(C[C@@H]1CCC2(CCC2)O1)NC1CN(S(=O)(=O)F)C1	2284155519	NFSZOSBXUYBVNR-JTQLQIEISA-N	306.359	0.493	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1C[C@@H](C(F)(F)F)C1	2352755605	BKBYQSUZMQOZCF-OLQVQODUSA-N	304.265	0.590	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@@H]2C[C@H]1CO2	2359087674	RDGOXYKBZILSCP-HBNTYKKESA-N	306.359	0.064	70	10	DCIE	
COC[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1	161121956	QCPWXSJYSFHJAT-ZFWWWQNUSA-N	320.389	0.862	70	10	DCIE	
CN(C)c1cccc(NS(=O)(=O)CCN2CCNCC2)c1	161323653	GZFSXNWVMZOVPU-UHFFFAOYSA-N	312.439	0.400	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1c1ncccc1C(N)=S	159812116	XYTOHVMIQVGSKX-NSHDSACASA-N	308.407	0.446	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)NCc2ccc(CN)cc2)C[C@@H](C)O1	159585304	LSUUHLCAALUANE-TXEJJXNPSA-N	313.423	0.589	70	10	DCIE	
O=C1NC(=O)c2cc(S(=O)(=O)F)c(Br)cc21	1936880441	OJHPONQZWYNCIO-UHFFFAOYSA-N	308.084	0.991	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@@H]2CCOC[C@H]21	2150124181	RRXAFEYBJMHBIW-FXPVBKGRSA-N	318.782	0.717	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N[C@@H]2C=CS(=O)(=O)C2)c1F	159542907	FARQXYZKQCYGJF-SECBINFHSA-N	320.367	0.305	70	10	DCIE	
CCNc1nnc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)s1	160096803	BKKSUIIPILIZRN-ZETCQYMHSA-N	304.397	0.134	70	10	DCIE	
CN1CC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	163317652	YEAXSXQBERNOLX-SECBINFHSA-N	322.383	0.327	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]21	2176539067	OWKDHBHQKHYWBL-GDPRMGEGSA-N	318.782	0.860	70	10	DCIE	
CCN1CC[C@@H](OC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	2238499379	NSCBRIHDIXYGQT-MRVPVSSYSA-N	321.786	0.897	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccnc(Cl)c1F	2268775872	MWTIQSDZHAPOMC-UHFFFAOYSA-N	311.697	0.502	70	10	DCIE	
Cc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cc1	2287086231	VZJLQDHVQJRNFT-SNVBAGLBSA-N	322.383	0.562	70	10	DCIE	
COC(=O)[C@@H]1CO[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N21	218352831	GEXJVXPWQKGKOR-UTLUCORTSA-N	314.338	0.400	70	10	DCIE	
CO[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCOC1	1123821031	XTUVNEBJVIJWSZ-KWQFWETISA-N	320.342	0.454	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)[C@@H]2CCC[C@H]2F)CC1	2118899604	XTAXKTZSTNZWNM-NXEZZACHSA-N	317.379	0.971	70	10	DCIE	
C[C@H]1Cc2cc(S(=O)(=O)N[C@H]3CCC(=O)N(C)C3)ccc2O1	160084243	PIIRZJDVVFOPSS-JQWIXIFHSA-N	324.402	0.909	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)CC(C)(C)C)n1	1923191003	FMHFJPIOMCIVFN-UHFFFAOYSA-N	313.376	0.866	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)C2(Cl)CC2)C1	1941419400	JZJAZVOCAJGGGK-ZETCQYMHSA-N	305.780	0.809	70	10	DCIE	
CO[C@H](C(=O)N1CC[C@@H](S(=O)(=O)F)C1)C1CCOCC1	2150283219	OVRLBBHOTSTISI-MNOVXSKESA-N	309.359	0.328	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@H]2C[C@H]2OC)c1S(=O)(=O)Cl	2188223414	LQBGUNFKXJMKDZ-HTRCEHHLSA-N	321.786	0.664	70	10	DCIE	
C=CCN(CC=C)S(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2107332794	YCLCQXZTXUWZGI-JTQLQIEISA-N	312.388	0.279	70	10	DCIE	
CC(C)c1nc(S(=O)(=O)Cl)cn1CCOCC(N)=O	2232300000	OQALMPZFQXBXNW-UHFFFAOYSA-N	309.775	0.436	70	10	DCIE	
COCCNC(=O)c1n[nH]c(C(C)C)c1S(=O)(=O)Cl	115017405	GMJZRVVTYMYVQN-UHFFFAOYSA-N	309.775	0.837	70	10	DCIE	
CC[C@@H](O)CCNC(=O)c1cccc(S(N)(=O)=O)c1C	159850987	ZGPKBPMMGWEAFK-SNVBAGLBSA-N	300.380	0.533	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)CCC1CCNCC1	159886777	SOOIPHYWVXCGSP-UHFFFAOYSA-N	305.444	0.210	70	10	DCIE	
CN1C[C@H](NS(=O)(=O)c2ccc(F)cc2F)CCC1=O	160098886	XLHZNONEAKOBKZ-SECBINFHSA-N	304.318	0.864	70	10	DCIE	
CCCC[C@H](NC(N)=O)C(=O)NC[C@@H]1CN(C2CC2)CCO1	160376531	FAHXYIZROLYLNR-OLZOCXBDSA-N	312.414	0.193	70	10	DCIE	
CCOCCN1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@H]1C	160882244	XWOQQMZFDCVPDP-LLVKDONJSA-N	322.409	0.570	70	10	DCIE	
CO[C@@H](C)[C@@](C)(CN)N1CCn2c(nnc2C(F)(F)F)C1	161337684	CAMDRZOHNYFHSQ-GZMMTYOYSA-N	307.320	0.865	70	10	DCIE	
CN[C@@H](c1c(Cl)cnn1CCOC)[C@H]1CN2CCN1CC2	161363403	OWSAGBGRQKEAGO-CHWSQXEVSA-N	313.833	0.443	70	10	DCIE	
CCNC[C@H]1CCCCN1S(=O)(=O)NCCCN(C)C	217444041	WFXPKQQOHPDMIB-CYBMUJFWSA-N	306.476	0.237	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2CCOC[C@H]2C)c1S(=O)(=O)Cl	305917194	BCNFAQORDCKVNP-SVRRBLITSA-N	321.786	0.800	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nccc2nccnc12	700323389	UCXBLCNQNXXDCM-UHFFFAOYSA-N	321.767	0.367	70	10	DCIE	
COCCN(C)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1275928382	KPIFPNBXUHHMSF-SECBINFHSA-N	321.374	0.369	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CCC(F)(F)C2)[nH]1	1923176811	DQZKBJUMIQUULK-ZCFIWIBFSA-N	311.285	0.874	70	10	DCIE	
Cn1nc(C(=O)N2CCN(S(=O)(=O)F)CC2)cc1Cl	1974015281	RUWGYLBCYCZIQM-UHFFFAOYSA-N	310.738	0.046	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1nccnc1Cl	1974055154	NKTURBYAEZRXKO-UHFFFAOYSA-N	308.722	0.006	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCCO2)C1	2088473224	YNRGMUQROQUWEA-NXEZZACHSA-N	315.388	0.259	70	10	DCIE	
CC1(C)CO[C@@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2104992531	NFPLISAFZACZRT-SSDOTTSWSA-N	308.743	0.301	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N(C)CCS(C)(=O)=O)n1	2116129389	UNVCZZTXJWAPBO-UHFFFAOYSA-N	310.130	0.629	70	10	DCIE	
COc1nc(N(C)[C@H](C)C[S@@](C)=O)ncc1[B-](F)(F)F	2116129573	WVLAXDBZCPDQOF-JLPJYYFKSA-N	310.130	0.743	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCCc1ncno1	2182344667	SFJFUUSCSHXEOD-UHFFFAOYSA-N	320.758	0.973	70	10	DCIE	
COc1ccc(C(=O)N2CC(CS(=O)(=O)F)C2)cc1O	2199688279	DTDNQNLKTBFWEK-UHFFFAOYSA-N	303.311	0.772	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1[C@@H]2CCCO[C@@H]21	2355566439	UJIYLMSFSSDFTL-DCAQKATOSA-N	306.359	0.206	70	10	DCIE	
C[C@@H]1CN(c2cnn(CCN(C)C)c(=O)c2Cl)[C@H](C)CN1	159567826	WAXJMCCISULXTN-GHMZBOCLSA-N	313.833	0.645	70	10	DCIE	
C[C@]1(c2ccco2)NC(=O)N(Cc2nnc(NN)s2)C1=O	159686278	FCSSZRGIHWUGFQ-LLVKDONJSA-N	308.323	0.384	70	10	DCIE	
CC(C)(Cn1nnnc1-c1ccc(F)cc1N)S(C)(=O)=O	160061336	CBKJIFVQFSPGGZ-UHFFFAOYSA-N	313.358	0.885	70	10	DCIE	
C[C@H]1OCC[C@H]1N(C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1	160515131	OZGNGRJZSYHNBO-GMSGAONNSA-N	306.771	0.826	70	10	DCIE	
Cc1nc(S(=O)(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)cn1C	160725530	JHVATLZNEZFUFK-GHMZBOCLSA-N	312.395	0.018	70	10	DCIE	
C[C@H](Oc1cccc(CO)c1)C(=O)NCCN1CCOCC1	160793831	XUCBTISXJBVXSR-ZDUSSCGKSA-N	308.378	0.395	70	10	DCIE	
COc1cnn(CCN(C)C)c1[C@H](N)[C@@H]1CSCCO1	161324217	NICWBGDUNYHMQF-NWDGAFQWSA-N	300.428	0.585	70	10	DCIE	
O=C(c1ccno1)N(CCN1CCOCC1)C1CCOCC1	217284824	NYULXUNIRSTVEA-UHFFFAOYSA-N	309.366	0.628	70	10	DCIE	
COC[C@H](C)NS(=O)(=O)c1ccc(OC)cc1CCO	217296582	KLABUUWKSKYHBX-JTQLQIEISA-N	303.380	0.543	70	10	DCIE	
COc1ccccc1OCNC(=O)NC(=O)C1CCNCC1	217308988	AFTNTDZWESUHDH-UHFFFAOYSA-N	307.350	0.857	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cccc(C(N)=S)c1	218200117	BTCPCNKAUOMPET-UHFFFAOYSA-N	315.420	0.077	70	10	DCIE	
COC1(C)CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	382596414	HGKJHCDFXRTFPB-UHFFFAOYSA-N	323.367	0.754	70	10	DCIE	
CC(=O)N1CCC[C@@H]1C(=O)Nc1ncc(S(=O)(=O)F)s1	1333663266	VJYDTVTZEBNZTE-SSDOTTSWSA-N	321.355	0.751	70	10	DCIE	
CC(C)(C)OC(=O)NC/C=C\C(=O)N1CC(S(=O)(=O)F)C1	1897480967	IEXJTCHXNHJVFN-PLNGDYQASA-N	322.358	0.577	70	10	DCIE	
C[C@@H](CCCN1CC(S(C)(=O)=O)C1)S(=O)(=O)Cl	1949709041	YCMYIAVOFYABFQ-QMMMGPOBSA-N	303.833	0.453	70	10	DCIE	
Cn1nc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)cc1Cl	1968236643	YREDKUMPBWOLHH-SSDOTTSWSA-N	309.750	0.977	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccc(Cl)nc1	1974057814	AOGMAABLYOSFDV-UHFFFAOYSA-N	307.734	0.611	70	10	DCIE	
Cc1ccc(C(=O)NCC2CN(S(=O)(=O)F)C2)c(Cl)n1	1974058599	GJCLBOSBENOQNO-UHFFFAOYSA-N	321.761	0.919	70	10	DCIE	
CC1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CCOCC1	1974402658	PTFMVAMNEGDLBL-UHFFFAOYSA-N	308.375	0.598	70	10	DCIE	
CS(=O)(=O)C1([C@H]2CC(=O)N2S(=O)(=O)Cl)CCC1	2001812236	VTDPHGXNOVBUSW-ZCFIWIBFSA-N	301.773	0.038	70	10	DCIE	
CCN(CCS(C)(=O)=O)c1ncc([B-](F)(F)F)c(C)n1	2116137153	UJZKSPBEBIXXMB-UHFFFAOYSA-N	310.130	0.710	70	10	DCIE	
O=C1CC(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)F)C2)C1	2116699665	WSNWFHMWVIGVPZ-JTQLQIEISA-N	313.372	0.059	70	10	DCIE	
O=C(NC1[C@H]2COC[C@H]12)c1ccc(S(=O)(=O)Cl)cc1	2118027277	ZGEDODAIYVXSCO-UWVGGRQHSA-N	301.751	0.989	70	10	DCIE	
Cc1[nH]nc(C(=O)N2CCN(C)[C@@H]3C[C@H]32)c1S(=O)(=O)Cl	2168372707	RTLXCHUGGREVOX-HTQZYQBOSA-N	318.786	0.174	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCC(S(C)(=O)=O)CC2)n1	2172767284	RULRJHIVBCEPEQ-UHFFFAOYSA-N	322.141	0.853	70	10	DCIE	
COCCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1C[C@H]1F	2188361890	FLZJATRIJHMGFI-BDAKNGLRSA-N	324.761	0.902	70	10	DCIE	
CN1CCO[C@@H]2CN(c3ncc(F)cc3[B-](F)(F)F)C[C@H]21	2188592850	XNCSKTLVYGTVPL-GHMZBOCLSA-N	304.076	0.794	70	10	DCIE	
CO[C@@H]1C[C@H](C(=O)N2CC(CS(=O)(=O)F)C2)C12CCC2	2199691511	BDPYDUGCMLGNQM-GHMZBOCLSA-N	305.371	0.949	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1CC[C@H]2C[C@H]1CO2	2287064884	HDYHERNDZPEVCY-NAKRPEOUSA-N	306.359	0.206	70	10	DCIE	
CCOC1CC(CC(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2287068260	KMAQTDYTQJWNTD-YVNMAJEFSA-N	308.375	0.596	70	10	DCIE	
CCn1c(-c2nnn3c2CCCC3)nnc1S(=O)(=O)Cl	2289297436	USSDRMNJFWSVGZ-UHFFFAOYSA-N	316.774	0.820	70	10	DCIE	
COCCN(C)S(=O)(=O)NC[C@H]1CCCN1CC(C)C	160309812	VSXDNWAMPORYKP-CYBMUJFWSA-N	307.460	0.519	70	10	DCIE	
C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1Cc2cc(S(N)(=O)=O)ccc2O1	160325926	NJLJFUWAFARIJD-JQEORGNBSA-N	310.375	0.410	70	10	DCIE	
Cc1c(F)cc(N)cc1S(=O)(=O)NCCNC(=O)N(C)C	160695902	APDVTOWNFWYVOU-UHFFFAOYSA-N	318.374	0.266	70	10	DCIE	
CCNc1nnc(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)s1	160749407	VOMIJADAXYYCGA-DTWKUNHWSA-N	309.395	0.711	70	10	DCIE	
CNC(=O)COc1cccc(CC(=O)N2CCOC[C@@H]2C)c1	161230612	BIFSWDOZNIIMIO-LBPRGKRZSA-N	306.362	0.601	70	10	DCIE	
COC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CN	216744783	RDMDTQZJSUFACJ-SNVBAGLBSA-N	317.386	0.298	70	10	DCIE	
COCCn1c(CC(F)(F)F)nnc1S(=O)(=O)Cl	227583379	IJTDKFNIPAHIBB-UHFFFAOYSA-N	307.681	0.957	70	10	DCIE	
O=C1CN(C(=O)c2ccc(S(=O)(=O)Cl)c(F)c2)CCN1	585671344	GJDCTOAAYMAIIB-UHFFFAOYSA-N	320.729	0.325	70	10	DCIE	
COC(=O)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1520864802	CHJVDLDCILOPKE-ZETCQYMHSA-N	304.299	0.308	70	10	DCIE	
C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1ncncc1[B-](F)(F)F	2116144578	GDJFZKDDLSKWQV-JGVFFNPUSA-N	308.114	0.543	70	10	DCIE	
COC[C@H](CF)NC(=O)c1cc(S(=O)(=O)Cl)cn1C	2116660552	QRCVUYDMHGBOAD-ZETCQYMHSA-N	312.750	0.667	70	10	DCIE	
O=C1CC[C@@H]1CS(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2178174674	ZAUHLBRUOCUWTI-SSDOTTSWSA-N	322.339	0.461	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@]1(C)CCNC1=O	2182342428	AVYWBHDJGAAADF-NSHDSACASA-N	321.786	0.483	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC(=O)NCC1CC1	2182342863	JCZBJJCPIJTETP-UHFFFAOYSA-N	321.786	0.483	70	10	DCIE	
COC12CC(C1)N(C(=O)c1cc(S(=O)(=O)Cl)cn1C)C2	2185470237	JNEIRVJKYGRAPN-UHFFFAOYSA-N	318.782	0.956	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1OC[C@H]2CCC[C@H]21	2233179750	BMXRBQXUXVXAHX-GMTAPVOTSA-N	306.359	0.064	70	10	DCIE	
CO[C@H]1CN(c2nc(C)ncc2[B-](F)(F)F)[C@@H]2COC[C@@H]21	2355241012	CRLYDKXSEJSYHP-GDPRMGEGSA-N	302.085	0.689	70	10	DCIE	
CNC(=O)[C@H]1COCCN1Cc1cc(F)ccc1C(N)=S	159819659	UQGCCYFSSKBQEV-GFCCVEGCSA-N	311.382	0.407	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cc(C)c(F)c(N)c2)CCOC1	159896080	YHDGEFAWZRYHKL-CYBMUJFWSA-N	318.370	0.800	70	10	DCIE	
C[C@H]1C[C@@H](CN)CN1c1cnn(CCN(C)C)c(=O)c1Cl	159981875	FKWXMLURCZMFIU-QWRGUYRKSA-N	313.833	0.632	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CC[C@@H](CN)O2)c1	160301868	YEFGDQIQGSIGHC-QPUJVOFHSA-N	314.363	0.241	70	10	DCIE	
Cc1ccc(OCNC(=O)N2CCN(CCO)CC2)c(C)c1	217276990	OXLSTRALKNIOFK-UHFFFAOYSA-N	307.394	0.959	70	10	DCIE	
CC(C)N1CC[C@H](CNC[C@@H](O)COc2cnsn2)C1	218759963	OKXKIAWVDLTZPN-VXGBXAGGSA-N	300.428	0.598	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NCC1[C@H]2COC[C@H]12	385910999	HTTKWLPQOYRELD-NXEZZACHSA-N	318.782	0.575	70	10	DCIE	
O=C(NCCC[C@@H]1CCOC1=O)c1cc(S(=O)(=O)F)c[nH]1	1537050902	GBUMGSFGXCEACH-MRVPVSSYSA-N	318.326	0.746	70	10	DCIE	
Cn1c(C(=O)Nc2ncc(S(=O)(=O)F)s2)cccc1=O	1623768669	KFPXRAAFDDBOBI-UHFFFAOYSA-N	317.323	0.752	70	10	DCIE	
O=C(c1ccncc1Br)N1CC(S(=O)(=O)F)C1	1968215792	MNJBNBSDMQDEAU-UHFFFAOYSA-N	323.143	0.968	70	10	DCIE	
O=[N+]([O-])c1nn(CCOC(F)F)cc1S(=O)(=O)Cl	2032859177	HGFUQJJDKKWWBY-UHFFFAOYSA-N	305.646	0.958	70	10	DCIE	
CCOC(C)(C)CS(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2088705251	BCJNFXLXZFTLIU-SECBINFHSA-N	317.404	0.505	70	10	DCIE	
C[C@H](CS(=O)(=O)NCC1CN(S(=O)(=O)F)C1)C1CC1	2108156182	CUBHJTRPTLRFNS-MRVPVSSYSA-N	314.404	0.098	70	10	DCIE	
Cc1nc(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)c(C)o1	2160640064	HYIHRCCBUUWPBZ-UHFFFAOYSA-N	319.726	0.530	70	10	DCIE	
COc1nc(N(C)Cc2cnnn2C)ncc1[B-](F)(F)F	2172772778	RVIFYFWTFNOUKE-UHFFFAOYSA-N	301.061	0.305	70	10	DCIE	
C=CCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1COCC	2182342581	BPNBHBUIOYGWQK-UHFFFAOYSA-N	321.786	0.649	70	10	DCIE	
O=S(=O)(N[C@H]1CCN(S(=O)(=O)F)C1)c1cccs1	2258993023	JKDFFHBMBKMABR-ZETCQYMHSA-N	314.385	0.315	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1CCC[C@H]1C(F)F	2285619454	KKSCBXSDBRHIAD-BDAKNGLRSA-N	314.329	0.930	70	10	DCIE	
Cc1ccnc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1C	2287077247	VRAJFEBAOKUVLS-JTQLQIEISA-N	301.343	0.717	70	10	DCIE	
Cc1nn(C)c(C)c1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287077373	WGNXZVAHXZHDNA-VIFPVBQESA-N	304.347	0.055	70	10	DCIE	
C[C@@H](c1ccccc1)N1C[C@@H](NC(=O)N2CCNCC2)CC1=O	217283455	DWXBGNLCMOSLEL-ZFWWWQNUSA-N	316.405	0.963	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1ccc(=O)oc1	2169006584	JSRJXIWUMYSCQG-UHFFFAOYSA-N	304.299	0.048	70	10	DCIE	
Cc1ccc(C(=O)N2CCNC(=O)C2)cc1S(=O)(=O)Cl	585671524	RRQOJOLXIUTGHJ-UHFFFAOYSA-N	316.766	0.495	70	10	DCIE	
CC#CCN(CC)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1317487055	FXEXJOUDJNOXMD-UHFFFAOYSA-N	315.370	0.748	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ncccc3[B-](F)(F)F)C[C@@H]2C1	2116142770	RAYLWALQVTVFDX-DTORHVGOSA-N	305.110	0.617	70	10	DCIE	
CO[C@H](C)CN[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1774037805	GKYKLMBUSAMQCQ-DTWKUNHWSA-N	321.374	0.416	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CCC(=O)N1	2125953811	NICHWNPJYZKMRW-ZETCQYMHSA-N	307.759	0.236	70	10	DCIE	
CO[C@]1(CNCc2ccc(S(=O)(=O)N(C)C)o2)CCOC1	160082249	CIENJSDTXKRRAF-ZDUSSCGKSA-N	318.395	0.425	70	10	DCIE	
CCNc1snnc1CN1CCOC[C@H]1C(=O)NC(C)C	160396375	YNUHFHAOXKYPLU-NSHDSACASA-N	313.427	0.695	70	10	DCIE	
C[C@@H](N)c1ccc(S(=O)(=O)NCCNC(=O)N(C)C)cc1	160937763	FQRCXOTYTOINOM-SNVBAGLBSA-N	314.411	0.256	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)CCO1	166120067	GRGNYUHQOCONCH-VIFPVBQESA-N	323.367	0.754	70	10	DCIE	
CCN(C(C)=O)c1nc(CNC(CC)(CO)CO)cs1	218105724	DVEBZPBOTRBVFO-UHFFFAOYSA-N	301.412	0.739	70	10	DCIE	
CN(C[C@@H]1C[C@H]2OCC[C@H]2O1)c1ncc([B-](F)(F)F)cn1	2172773809	GVGUDTAYOSCIBW-HBNTYKKESA-N	302.085	0.914	70	10	DCIE	
CN1CCO[C@@H]2CCN(c3ncncc3[B-](F)(F)F)C[C@H]21	2185495572	FCPUQPCYFGSRNU-GHMZBOCLSA-N	301.101	0.440	70	10	DCIE	
CN1CCN(CCOC[C@H](CS(=O)(=O)Cl)C2CC2)CC1	2296334969	UVCYAUSSNJSYFU-CYBMUJFWSA-N	324.874	0.845	70	10	DCIE	
O=C(C[C@H]1CCC1(F)F)N[C@H]1CCN(S(=O)(=O)F)C1	2335412000	YIHPCAGEAXZKKE-SFYZADRCSA-N	300.302	0.827	70	10	DCIE	
CCN(CC)S(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	159393509	OCQFXKXBRCYGBC-LLVKDONJSA-N	315.443	0.893	70	10	DCIE	
COC(=O)[C@@H]1C[C@@H](O)CN1CCN(C)Cc1ccc(F)cc1	159557525	JFBGIGHAZGTDAD-CABCVRRESA-N	310.369	0.866	70	10	DCIE	
CC(C)[C@@H](O)CC(=O)NCCS(=O)(=O)NCC1CCC1	159620704	UNSVNRLQMFEPKJ-LBPRGKRZSA-N	306.428	0.229	70	10	DCIE	
CCN1CCN(c2ccc(S(=O)(=O)NC)c(N)c2)C[C@@H]1C	159624323	IDIRIJKKKSJTJL-NSHDSACASA-N	312.439	0.707	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1C(=O)C(C)(C)C(N)=S	159784814	GHZAMXPWBPMKDX-VIFPVBQESA-N	301.412	0.051	70	10	DCIE	
CCCNc1nnc(C(=O)N[C@@H](C)CS(C)(=O)=O)s1	160340586	SZOCJGMECISJAH-ZETCQYMHSA-N	306.413	0.523	70	10	DCIE	
COc1ccc(/C=C/NC(=O)N2CCN(CCO)CC2)cc1	218156704	MZQTYVLZLUYMEX-VOTSOKGWSA-N	305.378	0.985	70	10	DCIE	
O=C(NC[C@H](O)Cn1ccccc1=O)c1noc2c1CCCC2	218441062	KFICFVZQHKVOGB-NSHDSACASA-N	317.345	0.506	70	10	DCIE	
O=C1CCC[C@H](C(=O)Nc2ccccc2S(=O)(=O)F)N1	709687017	CCPJWTNWUVFTIS-SECBINFHSA-N	300.311	0.952	70	10	DCIE	
CCn1c(-c2ccc(=O)n(C)c2)nnc1S(=O)(=O)Cl	1915583837	LVLSSPQTCAKEKX-UHFFFAOYSA-N	302.743	0.591	70	10	DCIE	
C[C@H](CCCN(C)C1CS(=O)(=O)C1)S(=O)(=O)Cl	1949706740	KRIHXOKXJGCUGS-MRVPVSSYSA-N	303.833	0.453	70	10	DCIE	
CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)F	1954656138	MDQIRMNVVUMIQP-VIFPVBQESA-N	312.363	0.768	70	10	DCIE	
COc1cc(C(=O)NC2CCN(S(=O)(=O)F)CC2)sn1	1974394646	MPZRIIDIYDXYCL-UHFFFAOYSA-N	323.371	0.560	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1CC[C@@]2(CCO2)C1	2153323778	SLLUISOSOMTLAU-GFCCVEGCSA-N	318.782	0.958	70	10	DCIE	
CCCc1ocnc1C(=O)N1CCN(S(=O)(=O)F)CC1	2163667629	XZKCOYVNIYZWRO-UHFFFAOYSA-N	305.331	0.599	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@@H]1C(F)(F)F	2271497440	ICNPTOWGJHEDQN-QYNIQEEDSA-N	304.265	0.590	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CCO[C@@H]3COC[C@@H]32)n1	2280640040	ACKRRGYCWFCTBB-VHSXEESVSA-N	303.069	0.749	70	10	DCIE	
O=C(C=Cc1cccc(F)c1)NC1CN(S(=O)(=O)F)C1	2284151248	PJMMXWZDFFHEBF-UHFFFAOYSA-N	302.302	0.854	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2cn[nH]c2)c1	160329641	YABGETZRVVZBGL-UHFFFAOYSA-N	317.348	0.320	70	10	DCIE	
O=C(C[C@@H]1CCS(=O)(=O)C1)N1CC[C@]2(O)CCCC[C@@H]2C1	160464694	ALKGJJBAVPFJBB-GZBFAFLISA-N	315.435	0.965	70	10	DCIE	
O=C(NC1(CO)CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1	160489139	ODDWPMIHCGJFQE-SECBINFHSA-N	310.300	0.959	70	10	DCIE	
Cc1nn(CCCO)c(C)c1S(=O)(=O)NC[C@@H]1C[C@@H]1C	160758414	UKEOBHFTVXWEBZ-CABZTGNLSA-N	301.412	0.817	70	10	DCIE	
O=C(NC[C@@]1(CCO)CCOC1)C(=O)Nc1ccccc1F	160915509	GVCIMAXTUFHZIG-OAHLLOKOSA-N	310.325	0.670	70	10	DCIE	
CCCN(CC)CCNC(=O)C1(C(N)=S)CCOCC1	218168015	VPTVEXRDOTYVCM-UHFFFAOYSA-N	301.456	0.917	70	10	DCIE	
Cn1nncc1S(=O)(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	1879786708	CDRGOJSKSXKZLG-APPZFPTMSA-N	309.102	0.817	70	10	DCIE	
O=C(c1coc(C(F)F)n1)N1CCN(S(=O)(=O)F)CC1	1974014136	FMMXVAAJPRXBNU-UHFFFAOYSA-N	313.257	0.584	70	10	DCIE	
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CCCS(=O)(=O)Cl	2003945957	ADBJVHCIILTKGJ-RKDXNWHRSA-N	303.833	0.453	70	10	DCIE	
COCCn1c([C@@H]2CC2(F)F)nnc1S(=O)(=O)Cl	2029616536	QUOJYNTVYCFBNO-YFKPBYRVSA-N	301.702	0.975	70	10	DCIE	
COc1nc(OC[C@@]2(C)COCCO2)ncc1[B-](F)(F)F	2237883352	OOZPOGLVTZEYHD-LLVKDONJSA-N	307.057	0.724	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2C[C@H](OC)[C@H](OC)C2)n1	2280519073	UZGKGNTTXGVCRE-AOOOYVTPSA-N	305.085	0.995	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)[C@@H]2COC3(COC3)C2)n1	2286258260	DYZXWQKPYCSOAS-VIFPVBQESA-N	302.085	0.834	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1COCCC1(F)F	2287066996	DOWJZSUGOYQOCS-HTQZYQBOSA-N	316.301	0.063	70	10	DCIE	
O=C(N1CC(S(=O)(=O)F)C1)C12COC(C(F)(F)F)(C1)C2	2363894434	TXEQGTDZMPRQBY-UHFFFAOYSA-N	317.260	0.608	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2CCOC2)c1S(=O)(=O)Cl	131885639	CPMVMKAPLPUPSH-ZCFIWIBFSA-N	307.759	0.418	70	10	DCIE	
CC[C@@H](CCO)CNc1ccc(S(=O)(=O)NC)c(N)c1	159652289	WXEMRYDRLQYUSZ-JTQLQIEISA-N	301.412	0.997	70	10	DCIE	
CC(C)(CO)CNC(=O)c1cc(N)cc(S(C)(=O)=O)c1	160031514	DTUHXAMMCFMBDB-UHFFFAOYSA-N	300.380	0.421	70	10	DCIE	
CCC(=O)N1CC[C@H](C(=O)N2CCN(CC(F)F)CC2)C1	161115656	HADMZYSXNGRXRI-NSHDSACASA-N	303.353	0.654	70	10	DCIE	
Cn1c([C@@H]2CCCCS2(=O)=O)nnc1S(=O)(=O)Cl	168027848	JDJBZYLYJBJRBE-LURJTMIESA-N	313.788	0.382	70	10	DCIE	
COC[C@@H](C)NC(=O)Cn1nc(C)c(S(=O)(=O)Cl)c1C	215746227	BJVXRLYKVFUSSO-SSDOTTSWSA-N	323.802	0.579	70	10	DCIE	
COCC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	383775145	PITJKOXGRXSAHE-QMMMGPOBSA-N	324.786	0.724	70	10	DCIE	
CCc1nn(Cc2nn[nH]n2)c(CC)c1S(=O)(=O)Cl	388431915	UUMQKJUGOFSZGQ-UHFFFAOYSA-N	304.763	0.497	70	10	DCIE	
CCN1C[C@@H](C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)CC1=O	1968226856	HQLARGGDULEZNQ-VHSXEESVSA-N	306.359	0.145	70	10	DCIE	
O=C(COCC(F)(F)F)NC1CCN(S(=O)(=O)F)CC1	1974401873	HFPQMQWRJJAFKZ-UHFFFAOYSA-N	322.280	0.360	70	10	DCIE	
C[Si](C)(C)C#CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2130925714	OIGTVQUIUUZMLD-UHFFFAOYSA-N	320.830	0.757	70	10	DCIE	
CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](S(=O)(=O)F)C1	2144732322	DQUXBQQAAIOTDU-VIFPVBQESA-N	308.375	0.439	70	10	DCIE	
CN(CC1[C@@H]2CS(=O)(=O)C[C@@H]12)c1ccc([B-](F)(F)F)cn1	2174649258	QHQGMOKSLKMSJR-QWRGUYRKSA-N	319.137	0.863	70	10	DCIE	
Cc1ccc(O[C@H](C)C(=O)NC(N)=O)c(S(=O)(=O)F)c1	2191435695	ZRLXWZOWJOFKEB-SSDOTTSWSA-N	304.299	0.615	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@]12CC[C@@H](CO1)C2	2193289616	ZXBBMZNSWMTFKJ-HQJQHLMTSA-N	320.754	0.446	70	10	DCIE	
O=C([C@@H]1CCn2ccnc2C1)N1CC(CS(=O)(=O)F)C1	2199684995	XHOBZFAIMKTTET-SNVBAGLBSA-N	301.343	0.203	70	10	DCIE	
O=S(=O)(NC1CN(S(=O)(=O)F)C1)[C@@H]1CCCC[C@@H]1F	2268783130	TYNTXFXEACRBKS-DTWKUNHWSA-N	318.367	0.085	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2C=C[C@H]1CCC2	2364070133	JSBUVCYWPMWPED-CKYFFXLPSA-N	302.371	0.994	70	10	DCIE	
O=C(CN1CSCC1=O)Nc1ccc(S(=O)(=O)F)nc1	2166529438	COHSDXZECZBAPQ-UHFFFAOYSA-N	319.339	0.211	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	2164430111	FHOTUAABBAWVEK-UKKRHICBSA-N	302.371	0.541	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2C[C@@H]2CF)c1S(=O)(=O)Cl	1875813381	KCVAQHWFVNRVSS-RNFRBKRXSA-N	309.750	0.981	70	10	DCIE	
CC(C)(C)OC(=O)N[C@H]1C[C@H]1C(=O)N1CC(S(=O)(=O)F)C1	1897482770	YPKSIRREOWYANA-BDAKNGLRSA-N	322.358	0.410	70	10	DCIE	
C[C@@H](CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCCO	1700770601	OEWXQAOZDZTZAK-VIFPVBQESA-N	321.374	0.105	70	10	DCIE	
CC[C@@H](NC(=O)c1cc(S(=O)(=O)F)ccc1Cl)C(N)=O	1544315346	HWBZJRVAHQTFIZ-SECBINFHSA-N	322.745	0.992	70	10	DCIE	
CCCCN[C@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1734377239	QWHMNDWDZYHZSE-VIFPVBQESA-N	321.374	0.153	70	10	DCIE	
CC1(C)CN(C(=O)C2(N)Cc3ccccc3C2)CCS1(=O)=O	161479144	FHRGTCKYPAAEIG-UHFFFAOYSA-N	322.430	0.518	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1c1ccc(C(N)=S)cn1	159811689	DHQDTINGKLRDJQ-LLVKDONJSA-N	308.407	0.446	70	10	DCIE	
C[C@@H](O)c1cccc(S(=O)(=O)NCC(=O)NC(C)(C)C)c1	159946396	ZOCDGWZBLBTQFC-SNVBAGLBSA-N	314.407	0.933	70	10	DCIE	
CCN1CCC[C@H]1CNS(=O)(=O)c1cc(CN)cs1	217586774	LRLMSRKLBRVROB-NSHDSACASA-N	303.453	0.969	70	10	DCIE	
O=C1CCC(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)CC1	2134978061	AVWHBCKVKBPVGI-UHFFFAOYSA-N	313.372	0.059	70	10	DCIE	
COCCn1c(S(=O)(=O)Cl)nnc1[C@]12C[C@H](CO1)C2	2140437318	NPFGLGRXGBYYBG-WKFQBHICSA-N	307.759	0.488	70	10	DCIE	
O=C(OCCO[C@@H]1CCOC1)c1cc(S(=O)(=O)Cl)c[nH]1	2143625528	KVMHPHXNQJOBFN-MRVPVSSYSA-N	323.754	0.905	70	10	DCIE	
CO[C@H](C(=O)N1CCN(S(=O)(=O)F)CC1)C1CCCC1	1974014483	JJKRBZGZXHGNLH-NSHDSACASA-N	308.375	0.550	70	10	DCIE	
CN([C@@H]1CCOC1)S(=O)(=O)c1ccc(F)c(C(N)=S)c1	159444034	XGOONLVQFZDHAB-MRVPVSSYSA-N	318.395	0.869	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1CCCC(C)(C)C(N)=S	159815823	GHSLEAJBNUONTH-NSHDSACASA-N	301.456	0.916	70	10	DCIE	
COCCOCCCCNS(=O)(=O)c1ccnc(N)c1	160013734	YJTLDTOKAGUKSD-UHFFFAOYSA-N	303.384	0.385	70	10	DCIE	
COc1cnn(CCN(C)C)c1[C@H](N)[C@H]1CSCCO1	161324423	NICWBGDUNYHMQF-VXGBXAGGSA-N	300.428	0.585	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)[C@@H]1CS(=O)(=O)C1(C)C	2036308823	UDJJMPLUVXBPFT-SECBINFHSA-N	317.860	0.843	70	10	DCIE	
COC1CN(S(=O)(=O)Nc2ccccc2S(=O)(=O)F)C1	2161939065	OAMWZCCBGWPADJ-UHFFFAOYSA-N	324.355	0.332	70	10	DCIE	
Cc1ccnc(N2CC(N3CCOCC3)C2)c1[B-](F)(F)F	2172781668	HTAMJPPXIVQPJF-UHFFFAOYSA-N	300.113	0.965	70	10	DCIE	
O=[N+]([O-])c1ccc(S(=O)(=O)CCS(=O)(=O)Cl)cc1	112083960	BQGSJOAREVMWHY-UHFFFAOYSA-N	313.740	0.937	70	10	DCIE	
Cc1[nH]nc(C(=O)OC2CCOCC2)c1S(=O)(=O)Cl	115022379	OUMYSJKIOFRJGO-UHFFFAOYSA-N	308.743	0.981	70	10	DCIE	
NC(=O)c1c(F)c([N+](=O)[O-])cc(S(=O)(=O)Cl)c1F	118903300	LPFXOHGBYPVFPK-UHFFFAOYSA-N	300.626	0.899	70	10	DCIE	
CC(C)[C@H](CN)Nc1cnn(CCN(C)C)c(=O)c1Cl	159602527	MOVFKCFEFCQJDP-JTQLQIEISA-N	301.822	0.854	70	10	DCIE	
C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCS(=O)(=O)C(C)(C)C1	159925402	XARYPTMBDRIUJV-JTQLQIEISA-N	318.439	0.573	70	10	DCIE	
COCCn1ncc(N2CCO[C@H]([C@H](C)N)C2)c(Cl)c1=O	159948490	MCXLZFYGFGICRL-ONGXEEELSA-N	316.789	0.096	70	10	DCIE	
Cc1ccc(CN2C[C@H](C(=O)NC3(CO)CC3)CC2=O)cc1	160233232	VLWPXQRJKJYPLD-CQSZACIVSA-N	302.374	0.985	70	10	DCIE	
COc1cc(NC(=O)[C@H](N)CCS(C)(=O)=O)ccc1F	160360719	IHGOVLXRVGTPDM-SNVBAGLBSA-N	304.343	0.535	70	10	DCIE	
CCS(=O)(=O)[C@@H]1CSCCN1CCOC1(C)CNC1	161299506	FJTPXRLUDYNTQL-LLVKDONJSA-N	308.469	0.175	70	10	DCIE	
CN(C)Cc1ccc2c(c1)[C@H](CN)N([C@H]1CCS(=O)(=O)C1)C2	216826881	IQMSSUSIQCLEGB-HOCLYGCPSA-N	323.462	0.751	70	10	DCIE	
O=C(NC1COCCOC1)c1cccc(S(=O)(=O)Cl)c1	313241497	VMUQRYLUYSEOIG-UHFFFAOYSA-N	319.766	0.759	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC[C@@H]1CCOC1	401096000	FGHWOIITRRSGHO-SSDOTTSWSA-N	308.743	0.303	70	10	DCIE	
CC(C)(C)OC(=O)NCCC(=O)N1CC(CS(=O)(=O)F)C1	1897482938	ZVAOWUBREPLOQG-UHFFFAOYSA-N	324.374	0.659	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1C[C@@]12CC2(F)F	1974394360	HXUMZACKOWXZDE-PSASIEDQSA-N	312.313	0.827	70	10	DCIE	
C=C(CCN1CCN(S(=O)(=O)N(C)C)CC1)[B-](F)(F)F	2107124999	IJVAWEUASHIUND-UHFFFAOYSA-N	314.162	0.743	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)C[C@H]2CCCO2)C1	2134972714	HMBRJVQGLYMNFT-SNVBAGLBSA-N	315.388	0.116	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CC[C@H](N3CCOCC3)C2)nc1	2172772500	OPCPQNLIABBYQR-NSHDSACASA-N	301.101	0.442	70	10	DCIE	
CCCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1COCC	2182344912	UNFPOXRUADZBSN-UHFFFAOYSA-N	323.802	0.873	70	10	DCIE	
CNC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)F	2191432812	QYFQVKUHJYTFCL-ZCFIWIBFSA-N	306.271	0.766	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@]2(C)CCCCO2)[nH]1	2199143763	NNJGRDBWOLHDHZ-LLVKDONJSA-N	305.331	0.398	70	10	DCIE	
Cc1ncc([B-](F)(F)F)cc1OC[C@H]1CCS(=O)(=O)N1	2265253818	BPSWGHJSUQTCKK-SECBINFHSA-N	309.098	0.515	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cccnc1Cl	2271502467	JKERJBBSEQZXRH-SSDOTTSWSA-N	307.734	0.753	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccc(F)c(F)c1F	2284149433	CKNCJBZKJRIQBF-UHFFFAOYSA-N	312.244	0.732	70	10	DCIE	
COc1ccccc1CC(=O)NC1CN(S(=O)(=O)F)C1	2284151245	PGTQEHBMTKZDSE-UHFFFAOYSA-N	302.327	0.252	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC[C@H]1C(F)(F)F	2359646768	CSICFCRKYQDCPJ-XLPZGREQSA-N	318.292	0.980	70	10	DCIE	
COCCN(CCOC)C(=O)NCCNC(=O)OC(C)(C)C	217263770	BOYLFDRQHWSFHX-UHFFFAOYSA-N	319.402	0.816	70	10	DCIE	
C[C@]1(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)CC=CCO1	2365406293	SNYXJLWOWMTHFQ-LLVKDONJSA-N	320.754	0.612	70	10	DCIE	
Cc1[nH]nc(C(=O)NCCOC(C)C)c1S(=O)(=O)Cl	161465424	LTMHTUGHSBXMJZ-UHFFFAOYSA-N	309.775	0.800	70	10	DCIE	
COCC[C@H](COC)NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	383775144	PITJKOXGRXSAHE-MRVPVSSYSA-N	324.786	0.724	70	10	DCIE	
C=C(CN1CCN(S(=O)(=O)N(C)C)CC1)[B-](F)(F)F	710202762	KNTRKSBVTHBOIB-UHFFFAOYSA-N	300.135	0.353	70	10	DCIE	
Cc1nc(N2CCS(=O)(=O)[C@@H](C)C2)ncc1[B-](F)(F)F	2116132011	HYPKZJPNUGZWLN-ZETCQYMHSA-N	308.114	0.463	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](O)C(F)(F)C1	1520303595	VPKVVIQHTPLTDI-QMMMGPOBSA-N	312.269	0.515	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cccc([C@@H](C)O)c2)CCOC1	161088463	WKZLQEFQYLEPRJ-RISCZKNCSA-N	315.391	0.824	70	10	DCIE	
CN(C)CCn1cc(NC(=O)N2CCC[C@H](CC(N)=O)C2)cn1	161489086	IHMUWADYDDWFTN-GFCCVEGCSA-N	322.413	0.564	70	10	DCIE	
CN1CCCC[C@H]1CN1CCN(CC2(O)CCOCC2)CC1	160082163	MRSLERWNMPWZBG-INIZCTEOSA-N	311.470	0.630	70	10	DCIE	
CCOC(=O)CCS(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	160591663	BEHRVFICINRWBI-OCCSQVGLSA-N	319.423	0.896	70	10	DCIE	
CCN1CCCN(C(=O)NC[C@@H]2CCCN2CCOC)CC1	159843249	ZDCFYNQOGOZPHK-HNNXBMFYSA-N	312.458	0.834	70	10	DCIE	
O=C(N1CC[C@H](S(=O)(=O)F)C1)C(F)(F)C1CCOCC1	1968236341	VHSMVYFANHLGKU-VIFPVBQESA-N	315.313	0.949	70	10	DCIE	
CO[C@H]1C[C@@H](C(=O)N2CC(CS(=O)(=O)F)C2)C[C@H]1OC	1973028940	WFKZKOGCEIXDJZ-JGPRNRPPSA-N	309.359	0.184	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1ccncc1F	1974402491	NXAMFUJSVWDWNN-UHFFFAOYSA-N	305.306	0.629	70	10	DCIE	
COc1cncc(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)c1	2157240933	MOOOWCTUDYVPBR-VIFPVBQESA-N	324.355	0.153	70	10	DCIE	
CCCn1c([C@]2(OC)CCOC2)nnc1S(=O)(=O)Cl	402045004	KMTZFYTYLRZQOH-JTQLQIEISA-N	309.775	0.878	70	10	DCIE	
Cc1cnc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)nc1	692566790	SYBALWQQVNEHMG-UHFFFAOYSA-N	317.714	0.866	70	10	DCIE	
O=S1(=O)CCC[C@]12CCN(c1ncc([B-](F)(F)F)cn1)C2	2172782082	MQBLPPVBWCTCKK-LLVKDONJSA-N	320.125	0.689	70	10	DCIE	
Cc1nc(Cl)cc(C(=O)NCC2CN(S(=O)(=O)F)C2)n1	2164434519	DPRZZYPDUIETQB-UHFFFAOYSA-N	322.749	0.314	70	10	DCIE	
O=[N+]([O-])c1ccc(OCc2nc[nH]n2)c(S(=O)(=O)F)c1	2191431429	IKBOVIDOMYLSSV-UHFFFAOYSA-N	302.243	0.950	70	10	DCIE	
O=C([C@H]1C[C@]12CCCOC2)N1CC(CCS(=O)(=O)F)C1	2199690030	VIADFGSAAHLISZ-YPMHNXCESA-N	305.371	0.951	70	10	DCIE	
O=C(OC[C@@H]1COCCO1)c1cc(S(=O)(=O)Cl)c[nH]1	2097732054	OKIRFQWPKSBPHJ-ZETCQYMHSA-N	309.727	0.514	70	10	DCIE	
C[C@@](O)(Cc1ccccc1F)[C@]1(CN)CCS(=O)(=O)C1	159416007	TYIYLMBQPKXUJY-KGLIPLIRSA-N	301.383	0.883	70	10	DCIE	
CCN1CC[C@H](CNc2ccc(S(=O)(=O)NC)c(N)c2)C1	159580862	OIMHKCZREJALRW-LLVKDONJSA-N	312.439	0.931	70	10	DCIE	
Cn1cc(N2CCC[C@H](N3CCN(C4CC4)CC3)C2=O)cn1	159720770	SNMTZZSUERNWLG-HNNXBMFYSA-N	303.410	0.696	70	10	DCIE	
CC(C)CN1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)NC1=O	160446594	CLFDDMRIXSWBBG-VXGBXAGGSA-N	310.398	0.211	70	10	DCIE	
COC(=O)NS(=O)(=O)Nc1ccccc1S(=O)(=O)F	163838912	KOPQAGOMKHMIOR-UHFFFAOYSA-N	312.300	0.358	70	10	DCIE	
Cc1cc(OCC(=O)NCC#N)ccc1S(=O)(=O)Cl	216003110	QEYSURDSZYHYOV-UHFFFAOYSA-N	302.739	0.941	70	10	DCIE	
C[C@H]1COC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	699725498	MUASTNHFVOCLJS-GZMMTYOYSA-N	323.367	0.658	70	10	DCIE	
O=S1(=O)C[C@H]2C[C@H](OS(=O)(=O)C(F)(F)F)C[C@H]2C1	1953259103	PKRMAVAOMDLOHM-ZMONIFLSSA-N	308.299	0.676	70	10	DCIE	
CC(C)S(=O)(=O)C[C@@]1(C)CC(=O)N1S(=O)(=O)Cl	2003984127	AUUIJFCFRKKSML-MRVPVSSYSA-N	303.789	0.284	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)o2)C1	2035285256	QNDZOPCDXBFPEU-LURJTMIESA-N	317.747	0.995	70	10	DCIE	
C[C@@H](F)CS(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	2057410648	WYISSFZFALCJEO-RXMQYKEDSA-N	303.312	0.178	70	10	DCIE	
O=S(=O)(Cl)CCCN1C[C@@H]2C[C@H](C1)CS(=O)(=O)C2	2065848019	DDPRCAQVRWDJLO-AOOOYVTPSA-N	315.844	0.312	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1C[C@@H]1C(F)(F)F	2108160652	JNCHHZFUICCXJH-BQBZGAKWSA-N	304.265	0.447	70	10	DCIE	
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H](S(=O)(=O)F)C1	2144734282	ZDCVDFQAQSQWHK-SSDOTTSWSA-N	305.287	0.827	70	10	DCIE	
CO[C@@H]1CN(c2nc(C)nc(C)c2[B-](F)(F)F)C[C@H]1OC	2172765153	NGEZPUGYEOILMS-NXEZZACHSA-N	304.101	0.998	70	10	DCIE	
Cc1nc(N2CCC[C@H](S(C)(=O)=O)C2)ncc1[B-](F)(F)F	2172766043	AFKNIQLOYMICDP-VIFPVBQESA-N	322.141	0.853	70	10	DCIE	
CCC[C@H](COC)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2193445904	NULCYOVPCJBREX-MRVPVSSYSA-N	307.347	0.501	70	10	DCIE	
CC(C)c1nc(C(=O)N2CC(CCS(=O)(=O)F)C2)n[nH]1	2199698628	PMGSYZQNWLOLRZ-UHFFFAOYSA-N	304.347	0.690	70	10	DCIE	
O=S(=O)(NC1CN(S(=O)(=O)F)C1)C1CCCCC1	2256719834	CEMPAAVAZPDXIA-UHFFFAOYSA-N	300.377	0.137	70	10	DCIE	
CC1(C)[C@@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1(F)F	2271496638	ZMWOYODGWBQHFM-NKWVEPMBSA-N	300.302	0.683	70	10	DCIE	
COc1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cn1	2287076975	BUKNYTMWBMJZPG-SECBINFHSA-N	303.315	0.109	70	10	DCIE	
CC12CC(C1)[C@H](C(=O)N1CCN(S(=O)(=O)F)CC1)CO2	2362909641	ANDFNWSPZYFIAW-SQLBVSGCSA-N	306.359	0.160	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ncc([B-](F)(F)F)cn3)C[C@H]2C1	2116144353	DSOOHOCDXVWOFU-YUMQZZPRSA-N	306.098	0.012	70	10	DCIE	
CCNc1ccc(S(=O)(=O)NCCNC(=O)C2CC2)cn1	160959356	UQEHUYGGAZBTEH-UHFFFAOYSA-N	312.395	0.318	70	10	DCIE	
CC[C@H](CO)N1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1	159982024	DDAFUKMBERSLSY-CYBMUJFWSA-N	317.393	0.497	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@@H]3COC[C@@H]32)c1S(=O)(=O)Cl	2143880847	WMZVTHUJAHZNCR-GJMOJQLCSA-N	319.770	0.410	70	10	DCIE	
COCCn1ncc(N2C[C@H](C)N[C@H](C)C2)c(Cl)c1=O	159452361	NUXUAFKOUOAZQS-AOOOYVTPSA-N	300.790	0.730	70	10	DCIE	
N[C@@H]1CCC[C@H](CCC(=O)N[C@@H]2CCCS(=O)(=O)C2)C1	161034965	BYZUJDDPMVBKPK-JHJVBQTASA-N	302.440	0.978	70	10	DCIE	
CN([C@@H]1CCOC1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	166225406	XWLQSCAFIIABBC-SECBINFHSA-N	323.367	0.754	70	10	DCIE	
C[C@@]1(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)CCNC1=O	698365210	JLFBVNUNQAVHDL-VIFPVBQESA-N	322.730	0.245	70	10	DCIE	
COc1nc(N2CCS(=O)(=O)[C@@H](C)C2)ncc1[B-](F)(F)F	2172771251	XCIBQMIKCMTCDT-ZETCQYMHSA-N	324.113	0.163	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2[C@H]3COC[C@H]32)c1S(=O)(=O)Cl	2174639809	DGSIVMUTHAIDDY-UQWHLADISA-N	319.770	0.274	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ccc2nccn2n1	2046189617	AESTXRSNUYCUPP-UHFFFAOYSA-N	309.756	0.072	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@]12CCC[C@H]1CSC2	2201868889	CZCXZZXKYQQBKS-CMPLNLGQSA-N	322.427	0.782	70	10	DCIE	
CC(C)(F)[C@@](C)(F)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271503246	POBUECRKPRIUOY-XCBNKYQSSA-N	302.318	0.868	70	10	DCIE	
CS(=O)(=O)N1CC[C@H](Oc2ccncc2[B-](F)(F)F)C1	2270090186	LUIPPFDAHXQUGL-QMMMGPOBSA-N	309.098	0.549	70	10	DCIE	
COC[C@@H]1CC[C@@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2287071404	TYIGEQKRNQGXMB-MXWKQRLJSA-N	308.375	0.454	70	10	DCIE	
COC(=O)c1cccnc1[S@](C)(=O)=NS(=O)(=O)Cl	521399730	MQIRYDSANZZGJM-KRWDZBQOSA-N	312.756	0.809	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@H]2CCCO2)c1S(=O)(=O)Cl	115783592	YKRNJUMYLXYEBW-SSDOTTSWSA-N	321.786	0.808	70	10	DCIE	
COc1ccnc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)c1	1968236366	VLQWGKHUISEZPC-SNVBAGLBSA-N	302.327	0.994	70	10	DCIE	
Cc1cc(OCC(=O)N2CCC[C@H](S(=O)(=O)F)C2)no1	1968226342	AOBGNELYORTEAO-VIFPVBQESA-N	306.315	0.652	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1	2094585079	SQHZNWSXBRULBX-UKKRHICBSA-N	311.400	0.878	70	10	DCIE	
C[C@](F)(C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)C(F)(F)F	2271493353	DPADDTWGXQBYJT-VDTYLAMSSA-N	310.244	0.682	70	10	DCIE	
COCCNS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1	100597147	PXRKEDCCNJKNBT-UHFFFAOYSA-N	313.784	0.539	70	10	DCIE	
CC[S@@](=O)CCNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	135264705	OJXOLTCWQWSQOQ-KRWDZBQOSA-N	312.800	0.441	70	10	DCIE	
C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc3c(c2)N(C)CC3)CC1	159492988	VEMBBRVXAVPSMY-GFCCVEGCSA-N	317.389	0.344	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)N(C)CCc2nccs2)C[C@@H](C)O1	159633815	ZCTQITRQXBMACK-GHMZBOCLSA-N	319.452	0.971	70	10	DCIE	
COc1ccc(CC(=O)NC[C@@H]2C[C@H]2C)cc1S(N)(=O)=O	160321365	QPYICIJKRWFRCC-KOLCDFICSA-N	312.391	0.657	70	10	DCIE	
O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@@]2(O)CCCC[C@@H]2C1	160467235	IUZAQLJORZGGAQ-BZPMIXESSA-N	301.408	0.575	70	10	DCIE	
C[C@@H]1OCC[C@H]1N(C)C(=O)c1cc(F)cc(S(N)(=O)=O)c1	160505582	ICGISHVADVAMNZ-QPUJVOFHSA-N	316.354	0.723	70	10	DCIE	
COc1cc(NC(=O)N2CCN(CCN)CC2)cc(OC)c1	217273865	AVFJDQHIEDMZDG-UHFFFAOYSA-N	308.382	0.812	70	10	DCIE	
O=C(Nc1ccc(=O)[nH]n1)N1CCN(C(=O)c2ccco2)CC1	217304057	PJSPPPIDKRQARV-UHFFFAOYSA-N	317.305	0.353	70	10	DCIE	
O=C(Nc1nc2c(s1)C(=O)NCCC2)c1ccc(=O)[nH]c1	218483757	FZMXMUPOWCAZNV-UHFFFAOYSA-N	304.331	0.760	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1CC1(F)F	691216272	AJSWPXXLDQIYEV-SCSAIBSYSA-N	300.670	0.532	70	10	DCIE	
Cc1nc(NC(=O)c2nnn(C)n2)sc1S(=O)(=O)Cl	697222381	UMISHAHIIFTWDK-UHFFFAOYSA-N	322.759	0.155	70	10	DCIE	
CC(C)n1[nH]cnc1=NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1276371040	HKBDCCIQZGLCDU-UHFFFAOYSA-N	301.303	0.520	70	10	DCIE	
Cn1cc(CC(=O)Nc2ncc(S(=O)(=O)F)s2)cn1	1287482928	FUFTWJJOCJCTRS-UHFFFAOYSA-N	304.328	0.716	70	10	DCIE	
C[C@H]1CC[C@@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)S1	1923174016	MIQUCLGMQVNIJA-BQBZGAKWSA-N	307.372	0.723	70	10	DCIE	
Cn1ncc(Cl)c1C(=O)N1CCC[C@H](S(=O)(=O)F)C1	1968227007	JZPSLDSKJQPWHU-ZETCQYMHSA-N	309.750	0.977	70	10	DCIE	
CN1CCN(C)[C@H](c2nnc(S(=O)(=O)Cl)n2C2CC2)C1	2155749114	PJCXKMNGTOGHBH-VIFPVBQESA-N	319.818	0.459	70	10	DCIE	
CCn1cc(C(=O)N2CC(CCS(=O)(=O)F)C2)c(C)n1	2199690317	XADHNFORMAYVRR-UHFFFAOYSA-N	303.359	0.973	70	10	DCIE	
CP(C)(=O)CCC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2258976452	RBWJPBBETWPRNB-MRVPVSSYSA-N	300.292	0.404	70	10	DCIE	
CCc1n[nH]c(=O)c(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)c1CC	159407971	PYLWQZDSTPNIKS-PHIMTYICSA-N	304.394	0.861	70	10	DCIE	
C[C@@H]1C[C@@H]1CNS(=O)(=O)c1cnn(CCCNC2CC2)c1	160851037	WGDSRFICQVOOIO-VXGBXAGGSA-N	312.439	0.960	70	10	DCIE	
CNC(=O)[C@H](C)Oc1ccc(C(=O)O)cc1S(=O)(=O)Cl	215662097	JSUYSKIRLYLANT-LURJTMIESA-N	321.738	0.826	70	10	DCIE	
C#CCNC(=O)[C@@H](C)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215901848	CFOUUDHFSGJPTB-ZCFIWIBFSA-N	320.714	0.029	70	10	DCIE	
CNCCc1ccc(S(=O)(=O)NCCCN(C)C)s1	217505577	NWVAAHMKKMERSQ-UHFFFAOYSA-N	305.469	0.740	70	10	DCIE	
CN[C@@H](C)c1cccc(S(=O)(=O)N(C)C[C@@H](O)COC)c1	218037686	VLNBKSDYYKDSDL-WCQYABFASA-N	316.423	0.595	70	10	DCIE	
CC(C)(C)OC(=O)N1C[C@@H](S(=O)(=O)Cl)[C@@H](C(=O)O)C1	713302734	QOEYWSHUEZOFAK-NKWVEPMBSA-N	313.759	0.875	70	10	DCIE	
CC[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCCO	1269471913	QAPTZDARNQXWAE-SECBINFHSA-N	321.374	0.153	70	10	DCIE	
C#CCc1c(C)c(OS(=O)(=O)F)c(C)c(B(O)O)c1C	1887514284	VOHYLOJOPZSIIN-UHFFFAOYSA-N	300.116	0.060	70	10	DCIE	
COCCn1nc(Br)nc1S(=O)(=O)Cl	1893827820	RLXGBEAPCAIUDG-UHFFFAOYSA-N	304.553	0.615	70	10	DCIE	
CCN(CCCS(=O)(=O)Cl)[C@@H](C)CS(C)(=O)=O	2003932528	GDJVBQWTAFQLKX-VIFPVBQESA-N	305.849	0.700	70	10	DCIE	
COc1ccc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)cc1O	2144732797	JNYCDXINJLQRMY-VIFPVBQESA-N	303.311	0.915	70	10	DCIE	
CO[C@H](C(=O)N1CC[C@@H](S(=O)(=O)F)C1)[C@H]1CCCOC1	2150281265	LMHUAZLJQXWOSK-AXFHLTTASA-N	309.359	0.328	70	10	DCIE	
COCCn1c(C[C@H]2CO[C@@H](C)C2)nnc1S(=O)(=O)Cl	2159411034	HHRRWYRVMWSLSR-IUCAKERBSA-N	323.802	0.820	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1CC2(CC2)CO1	2166415976	GZLLKDYBCUECFI-ZETCQYMHSA-N	320.754	0.446	70	10	DCIE	
Cc1nccn1CC(=O)Nc1nn(C)cc1S(=O)(=O)F	2186051551	UBMLFBRMSLBHLP-UHFFFAOYSA-N	301.303	0.222	70	10	DCIE	
O=C([C@@H]1C[C@]12CCCOC2)N1CCN(S(=O)(=O)F)CC1	2198140399	FEIVXXKJQIKGCA-JQWIXIFHSA-N	306.359	0.162	70	10	DCIE	
C[C@]12C[C@H](C1)[C@H](C(=O)N1CC(CCS(=O)(=O)F)C1)CO2	2362913129	QQVGZVPVYLGNJJ-WZRBSPASSA-N	305.371	0.949	70	10	DCIE	
NS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1	100619052	ZZFRMXGDTGFOPS-UHFFFAOYSA-N	305.164	0.883	70	10	DCIE	
C[C@H](C(=O)Nc1ccccc1S(=O)(=O)F)S(C)(=O)=O	228310491	JQDVRJSNDUERQT-SSDOTTSWSA-N	309.340	0.716	70	10	DCIE	
N#C[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	694023139	PLJIVFGPLMUCJI-VIFPVBQESA-N	318.351	0.879	70	10	DCIE	
CC(C)[C@@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C(N)=O	1534719877	HMNCLUDKVXEVMQ-GFCCVEGCSA-N	316.354	0.513	70	10	DCIE	
CN(C)C(=O)NCCNc1ccc(S(=O)(=O)N(C)C)cc1	161064475	CXJPZWNRXUDDBF-UHFFFAOYSA-N	314.411	0.620	70	10	DCIE	
COCCN1CCN(C(=O)C(=O)Nc2nocc2C)C[C@@H]1C	161238725	SDTSSPIEMLVHJT-NSHDSACASA-N	310.354	0.101	70	10	DCIE	
CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2nocc2C)C1	160949480	DOGAOQISXGNKNZ-LLVKDONJSA-N	322.365	0.829	70	10	DCIE	
O=C(NCCc1cscn1)NC[C@@H](O)CN1CCCCC1	159548572	VYXSQUXJHACGLP-CYBMUJFWSA-N	312.439	0.832	70	10	DCIE	
O=C(N1CC[C@@H](S(=O)(=O)F)C1)C(F)(F)[C@@H]1CCOC1	2128779925	BXLMLKLIGPSMCW-HTQZYQBOSA-N	301.286	0.558	70	10	DCIE	
CO[C@H](C(=O)N1CCC[C@H](S(=O)(=O)F)C1)[C@H]1CCCO1	1973216794	SWLYBYCQWCEXST-AXFHLTTASA-N	309.359	0.471	70	10	DCIE	
C[C@]1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CC1(F)F	1974394456	JIHYZKSVZQMWDN-SECBINFHSA-N	300.302	0.827	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(F)cc1N	159842855	TVBHZBVEMZLIJT-UHFFFAOYSA-N	303.359	0.601	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cc(C)cc(N)c2)CCOC1	159900199	MFNOTWFALDCHNV-ZDUSSCGKSA-N	300.380	0.661	70	10	DCIE	
C[C@H]1CN(CCn2cc(S(=O)(=O)Cl)cn2)C[C@@H](C)O1	313784036	BNQKENBLENLYNE-AOOOYVTPSA-N	307.803	0.920	70	10	DCIE	
CC(C)c1nc(S(=O)(=O)Cl)cn1CCN1CCNC1=O	389335672	WXVUOTADHNQVEM-UHFFFAOYSA-N	320.802	0.959	70	10	DCIE	
COc1nc(N2CCN(C)[C@@H]3CC[C@@H]32)ncc1[B-](F)(F)F	2172757403	AWHMOWJBIOZSGK-ZJUUUORDSA-N	301.101	0.822	70	10	DCIE	
CC[C@H]1CC[C@@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)O1	2201434825	RKYKZHXYWMAYHR-YUMQZZPRSA-N	305.331	0.396	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCCSCC1	2271502396	JDMZCGOIJZRLLR-UWVGGRQHSA-N	310.416	0.925	70	10	DCIE	
Cc1ccc(N)c(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1	2287061980	AIQASYNRQMTAOL-SECBINFHSA-N	301.343	0.596	70	10	DCIE	
CC1(C)[C@H]2CO[C@@]1(C(=O)N1CCN(S(=O)(=O)F)CC1)C2	2289215673	BUCYDDIMMKCDGK-BXKDBHETSA-N	306.359	0.160	70	10	DCIE	
COc1ccc(CC(=O)NC[C@H]2C[C@@H]2C)cc1S(N)(=O)=O	160321236	QPYICIJKRWFRCC-GXSJLCMTSA-N	312.391	0.657	70	10	DCIE	
CNC(=O)c1cncc(/C=C/C(=O)N[C@H](CO)CC(C)C)c1	161276200	ZBFPCKWBXWRYNO-NNTXTVRGSA-N	305.378	0.978	70	10	DCIE	
C[C@@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	460094522	NIGLKWGCTQPGTH-QMMMGPOBSA-N	306.340	0.877	70	10	DCIE	
Cc1n[nH]c(C)c1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1471836005	BJCOVQLCUNDXTJ-UHFFFAOYSA-N	300.315	0.943	70	10	DCIE	
CC(C)Cn1c(C[C@H]2COCCO2)nnc1S(=O)(=O)Cl	1916698445	HSUCBJALRMJDBN-VIFPVBQESA-N	323.802	0.820	70	10	DCIE	
O=C(c1cnc(F)c(F)c1)N1CCN(S(=O)(=O)F)CC1	1974000589	CAQYFYYVEKQHHB-UHFFFAOYSA-N	309.269	0.332	70	10	DCIE	
Cn1c([C@H]2CCc3nn[nH]c3C2)nnc1S(=O)(=O)Cl	2088321710	QYCWPGHMMOFWJN-YFKPBYRVSA-N	302.747	0.133	70	10	DCIE	
Cc1nc(C=CC(=O)N2CCN(S(=O)(=O)F)CC2)cs1	2163664043	MRDLYSAALDKAFW-UHFFFAOYSA-N	319.383	0.823	70	10	DCIE	
Cc1nc(Cl)cc(C(=O)N2CCN(S(=O)(=O)F)CC2)n1	2163665239	HGUJBKXFURIGDO-UHFFFAOYSA-N	322.749	0.411	70	10	DCIE	
CN(C[C@@H]1C[C@H]2OCC[C@@H]2O1)c1ncncc1[B-](F)(F)F	2172777950	JONIYSJUIZFIDI-INTQDDNPSA-N	302.085	0.914	70	10	DCIE	
Cc1nccn1[C@H](C)C(=O)NCC1CN(S(=O)(=O)F)C1	2186050920	NSXZLOLJOPMTCR-MRVPVSSYSA-N	304.347	0.015	70	10	DCIE	
CO[C@H]1C[C@@H]1NC(=O)c1n[nH]c(C(C)C)c1S(=O)(=O)Cl	2188223462	LWGMDBNFKBBNSB-BQBZGAKWSA-N	321.786	0.978	70	10	DCIE	
O=C(N1CC[C@H](S(=O)(=O)F)C1)[C@]1(O)C[C@H]1C(F)(F)F	2344049532	WXFCZHNAOLBHKE-BBVRLYRLSA-N	305.249	0.200	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CCO[C@@H]2C)c1S(=O)(=O)Cl	157075364	NWSNSPIIOPIPBB-RNFRBKRXSA-N	307.759	0.553	70	10	DCIE	
CNS(=O)(=O)c1ccc(NC[C@@H]2CCCN(C)C2)cc1N	159606657	VKJDSDLDUIDFFP-NSHDSACASA-N	312.439	0.931	70	10	DCIE	
C[C@H](CNS(=O)(=O)N1CCC[C@@H](C)C1)CN1CCOCC1	160388732	CQXHVLDIQKLNLC-ZIAGYGMSSA-N	319.471	0.521	70	10	DCIE	
O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc(O)cc3)CC[C@H]2N1	160484717	SDQRBJNVJUQDOB-ZWNOBZJWSA-N	310.375	0.681	70	10	DCIE	
Nc1ccc(Cl)cc1S(=O)(=O)NCCNC(=O)C1CC1	160646221	MXPLSBSZZKACAR-UHFFFAOYSA-N	317.798	0.727	70	10	DCIE	
CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1	161342729	QGANTAXXTQALRH-BZPMIXESSA-N	319.409	0.608	70	10	DCIE	
NS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]	167468594	VSLJWGWKDLHFMN-UHFFFAOYSA-N	315.716	0.138	70	10	DCIE	
CC(C)n1cnnc1CN1CCn2nc([C@@H](O)CO)cc2C1	217920982	QNKXSSBWJHRBKD-ZDUSSCGKSA-N	306.370	0.097	70	10	DCIE	
COCCn1c([C@@H]2CCCN(C)C2)nnc1S(=O)(=O)Cl	705917653	PUVYQWDXJACSSF-SECBINFHSA-N	322.818	0.661	70	10	DCIE	
O=c1c2nn(-c3ccccc3)cc2cnn1CCS(=O)(=O)F	883953713	HRHLFJUUMMCZLJ-UHFFFAOYSA-N	322.321	0.882	70	10	DCIE	
O=C(NCCN(CCF)C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1267332459	DOBQVICUFAOYDY-UHFFFAOYSA-N	321.349	0.837	70	10	DCIE	
O=C(c1ccc(Br)cn1)N1CC(S(=O)(=O)F)C1	1968216367	XQDDUDQNMWPTHS-UHFFFAOYSA-N	323.143	0.968	70	10	DCIE	
C[C@]1(C(=O)NCC2CN(S(=O)(=O)F)C2)C[C@@H]1C(F)(F)F	1974054807	IYZGGJXCBOUTLC-CBAPKCEASA-N	318.292	0.837	70	10	DCIE	
C#CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2110214645	GIQATUUGUXLLHY-UHFFFAOYSA-N	306.340	0.895	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1[C@H]1CCNC1=O	2125953809	NHJDYWMTVHMDPC-ZETCQYMHSA-N	307.759	0.408	70	10	DCIE	
N#Cc1cccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)c1	2144733262	OEDKWJLRVXFMRT-LLVKDONJSA-N	318.351	0.621	70	10	DCIE	
CS(=O)(=O)C[C@H]1CN(c2ccc([B-](F)(F)F)cn2)CCO1	2172780584	SGMIDXYSFGUJKM-SNVBAGLBSA-N	323.125	0.386	70	10	DCIE	
COc1nn(C[C@@H]2[C@@H]3COC[C@@H]32)c(OC)c1S(=O)(=O)Cl	2188904847	NHDDSXGXNFMLJU-RNLVFQAGSA-N	322.770	0.720	70	10	DCIE	
COC[C@H](N)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C	159431257	HPCDYJMQFZKKMH-NSHDSACASA-N	315.395	0.158	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc3c(c2)CCN3)CCOC1	160678886	XNDZWYRCOMZCNC-CQSZACIVSA-N	312.391	0.738	70	10	DCIE	
C[C@@H](CC(N)=O)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1533123310	OBSJLONAYMURAT-LURJTMIESA-N	322.745	0.992	70	10	DCIE	
CC(=O)NCC(C)(C)C(=O)Nc1ncc(S(=O)(=O)F)s1	1596005101	VIAWGBISDPKEGI-UHFFFAOYSA-N	323.371	0.902	70	10	DCIE	
C[C@@H](O)CNC[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1666619658	HTRDQOWJYZFRLN-RKDXNWHRSA-N	321.374	0.009	70	10	DCIE	
COC[C@@H](CF)NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2116660846	VEZKIGYTCMLGBT-ZCFIWIBFSA-N	313.738	0.360	70	10	DCIE	
CC(C)n1c(C2COCCOC2)nnc1S(=O)(=O)Cl	2138824929	VQRRHVJYVYVURA-UHFFFAOYSA-N	309.775	0.917	70	10	DCIE	
COCCn1c([C@@H]2[C@@H]3CCCO[C@H]32)nnc1S(=O)(=O)Cl	2176467125	VCYJZIPHOUTNBV-DJLDLDEBSA-N	321.786	0.744	70	10	DCIE	
COCCn1c([C@@]23CCOC[C@@H]2C3)nnc1S(=O)(=O)Cl	2194442388	DKNKKLKTXBYAFQ-GZMMTYOYSA-N	321.786	0.530	70	10	DCIE	
N#Cc1c(F)cccc1S(=O)(=O)N1CC(S(=O)(=O)F)C1	2199696584	HTYHWHLUWCGEID-UHFFFAOYSA-N	322.314	0.370	70	10	DCIE	
C[C@@H]1O[C@H](C)[C@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)[C@@H]1C	2287069823	RTEGOHLSGJCYCB-RCZSTQMZSA-N	308.375	0.451	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C12CCCN1CCC2	2287073739	XZLGWRNVTMCBIG-SNVBAGLBSA-N	305.375	0.020	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)C1CC(S(C)(=O)=O)C1	716060037	ZBLIAFZQUFQFKK-UHFFFAOYSA-N	317.860	0.843	70	10	DCIE	
CC[C@H](Oc1ccc(S(=O)(=O)Cl)cc1C(=O)O)C(N)=O	215674450	YJMPAFHCFXMGAM-QMMMGPOBSA-N	321.738	0.955	70	10	DCIE	
Cc1n[nH]cc1S(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2134972882	JRPNBKGRPKOVOW-UHFFFAOYSA-N	311.360	0.028	70	10	DCIE	
CC(C)(C(=O)N1CCC[C@@H](S(=O)(=O)F)C1)S(C)(=O)=O	1968227769	RLJSYQVNRPWSQM-MRVPVSSYSA-N	315.388	0.100	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)CCBr)n1	1923156327	KSSBJQQPVKIXSU-UHFFFAOYSA-N	314.136	0.802	70	10	DCIE	
CC(=O)c1c[nH]c(C(=O)N2CCN(S(=O)(=O)F)CC2)c1	1974001542	VRXTWIFEOYKXBP-UHFFFAOYSA-N	303.315	0.189	70	10	DCIE	
CO[C@H]1CCC[C@@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C1	1974059921	PNFMEFZUIWEMJK-MNOVXSKESA-N	308.375	0.454	70	10	DCIE	
C[C@@H]1C[C@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)[C@@H](C)O1	1974394743	OKKPADOAQYMGSE-KKZNHRDASA-N	308.375	0.595	70	10	DCIE	
CCc1nnsc1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974403477	ZJAMQBUBHPNVQS-UHFFFAOYSA-N	322.387	0.509	70	10	DCIE	
CCCS(=O)(=O)C[C@]1(C)CC(=O)N1S(=O)(=O)Cl	2003987238	SSPIUFVOLWSHMC-QMMMGPOBSA-N	303.789	0.286	70	10	DCIE	
O=C(c1cnccc1Br)N1CC(S(=O)(=O)F)C1	2022183142	NGQHJEOSQXTTAE-UHFFFAOYSA-N	323.143	0.968	70	10	DCIE	
Cc1cnc(N2C[C@H]3OCCN(C)[C@@H]3C2)c([B-](F)(F)F)c1	2172789360	DWNKRHHOELLXKD-VXGBXAGGSA-N	300.113	0.964	70	10	DCIE	
Cn1ccc(S(=O)(=O)N2CCC(S(=O)(=O)F)CC2)c1	2088468824	GOVSYCVAXBYFHH-UHFFFAOYSA-N	310.372	0.478	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)c2cccc(F)n2)C1	2228556009	PSVBKQVVKPJZIF-UHFFFAOYSA-N	312.319	0.141	70	10	DCIE	
C[C@@H]1CCC[C@H](S(=O)(=O)NC2CN(S(=O)(=O)F)C2)C1	2268805786	NQXVARYZDPPHKB-SCZZXKLOSA-N	314.404	0.383	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1COCCC1(F)F	2287066999	DOWJZSUGOYQOCS-JGVFFNPUSA-N	316.301	0.063	70	10	DCIE	
Cn1cc(CC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cn1	159410918	LRNPCAWIKHGERH-KGLIPLIRSA-N	319.361	0.907	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1C(=O)C1(C(N)=S)CCC1	159783519	XZTDIXKIDRROMX-JTQLQIEISA-N	313.423	0.195	70	10	DCIE	
CC(C)N(C[C@@H](C)O)C(=O)NCCCCN1CCOCC1	160388786	PBSXWGTXDKQEEC-CQSZACIVSA-N	301.431	0.900	70	10	DCIE	
CN(C(=O)c1ccc2c(c1)CNCC2)[C@@H]1CCS(=O)(=O)C1	217092080	DRQRHKXOXFPIQU-CQSZACIVSA-N	308.403	0.591	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(Cl)cc(N)c1F	218133912	FIHNQIMEGZFHHT-UHFFFAOYSA-N	323.777	0.818	70	10	DCIE	
C[C@H](O)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1347256146	PJXPRPYPVBZLRV-QMMMGPOBSA-N	304.343	0.906	70	10	DCIE	
Cc1ccc(NC(=O)[C@@H]2COC(=O)N2)cc1S(=O)(=O)F	1588011685	YLJOWUFGIOUJAN-QMMMGPOBSA-N	302.283	0.700	70	10	DCIE	
C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](S(=O)(=O)F)C1	1885610191	JKYFWBMVELJURH-IUCAKERBSA-N	324.374	0.800	70	10	DCIE	
O=S(=O)(F)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1	1954487337	YOOCDVWEFVCTFW-OLZOCXBDSA-N	300.355	0.786	70	10	DCIE	
Cn1c([C@H]2CCc3nncn3C2)nnc1S(=O)(=O)Cl	2103645236	XSSLJTQSPPCHHE-LURJTMIESA-N	302.747	0.064	70	10	DCIE	
CC(F)(F)[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)F)CC1	2108154309	OUWNVLFQKVDIPF-JGVFFNPUSA-N	300.302	0.636	70	10	DCIE	
CO[C@@H]1COC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2120785268	LHXNHQFQPDTDHC-RKDXNWHRSA-N	308.743	0.086	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)C12CC(CCO1)C2	2196627668	RURIZULAGXNUGN-UHFFFAOYSA-N	306.359	0.350	70	10	DCIE	
C#CCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1CCCC	2237595273	NWKOFRFLCUOYOD-UHFFFAOYSA-N	317.798	0.903	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@H]1C1CCOCC1	2284143083	SPCYCJCKJGDBER-WDEREUQCSA-N	306.359	0.064	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(OCCN2CCN(C)CC2)n1	2296335074	VYLGKYIRALCBEG-UHFFFAOYSA-N	303.117	0.466	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@@H]3[C@H](C2)CS3(=O)=O)n1	2336405092	JZEVHHHMIQBHPF-VXNVDRBHSA-N	306.098	0.073	70	10	DCIE	
CNC[C@@H]1CCN(c2cnn(CCN(C)C)c(=O)c2Cl)C1	159364131	JOJZAJXPRZUJGJ-NSHDSACASA-N	313.833	0.504	70	10	DCIE	
CC1(C)CN(c2nc(N)nc(N3CCOCC3)n2)CCS1	159364760	FCPIEXAZZPJUAE-UHFFFAOYSA-N	310.427	0.622	70	10	DCIE	
Cc1oc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)cc1S(N)(=O)=O	159422715	FCZGWFJNLPXRNB-AOOOYVTPSA-N	313.379	0.202	70	10	DCIE	
CCCNc1nnc(C(=O)NCCCS(C)(=O)=O)s1	160135576	UUAYAJBMDMWKBW-UHFFFAOYSA-N	306.413	0.525	70	10	DCIE	
Nc1cc(S(=O)(=O)NCCNC(=O)C2CC2)ccc1F	160644941	ADJXGSJYMHDRIF-UHFFFAOYSA-N	301.343	0.212	70	10	DCIE	
O=C(NC[C@H](O)Cc1ccccc1)N[C@@H]1CCc2ncnn2C1	161307925	RDFQIZMAXFDTPC-ZIAGYGMSSA-N	315.377	0.496	70	10	DCIE	
NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)c2ccc3c(c2)CCC3)O1	161489572	HLSKYAYCRICCKY-KGLIPLIRSA-N	316.357	0.507	70	10	DCIE	
CC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H](O)C(F)F	1347339066	BSXDNZGGNBPTPL-XPUUQOCRSA-N	314.285	0.807	70	10	DCIE	
COC1(CC(=O)Nc2nn(C)cc2S(=O)(=O)F)CCC1	1923179263	ZCXBJHTUSQGZPU-UHFFFAOYSA-N	305.331	0.976	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CCN(CCCS(=O)(=O)Cl)C1	1940304587	SJROISFMVFOAQE-SECBINFHSA-N	303.833	0.312	70	10	DCIE	
O=C(Cc1cccc(F)c1)N1CCN(S(=O)(=O)F)CC1	1974001671	YJLAEFRHDINBDV-UHFFFAOYSA-N	304.318	0.727	70	10	DCIE	
CC1(OCC(=O)NCC2CN(S(=O)(=O)F)C2)CCCC1	1974055593	SYKVSFZMERQTMO-UHFFFAOYSA-N	308.375	0.598	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)c2ccccc2F)C1	2088470613	ZGZCWJUKVMCPLO-QMMMGPOBSA-N	311.331	0.888	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)[C@@H](C)CS(C)(=O)=O)n1	2116132677	SNEGBNZMCWYHNA-ZETCQYMHSA-N	310.130	0.709	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CCN(c2ncc([B-](F)(F)F)cn2)C1	2116147391	BZDJPZMWUXASMW-MRVPVSSYSA-N	308.114	0.402	70	10	DCIE	
Cc1nc[nH]c1S(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2134977648	WAOFWENQJACGJZ-UHFFFAOYSA-N	311.360	0.028	70	10	DCIE	
O=C([C@H]1CCc2nc[nH]c2C1)N1CC[C@@H](S(=O)(=O)F)C1	2144731956	AAMKIMLQGOTQOG-DTWKUNHWSA-N	301.343	0.415	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2C[C@H](C)CO2)c1S(=O)(=O)Cl	2166247863	CLFZFFKMYKUSCW-POYBYMJQSA-N	321.786	0.800	70	10	DCIE	
Cc1ccnc(N2CCN(S(C)(=O)=O)CC2)c1[B-](F)(F)F	2172776236	MWZRENQVFWFNTF-UHFFFAOYSA-N	322.141	0.526	70	10	DCIE	
COCCn1c(C2CC3(COC3)C2)nnc1S(=O)(=O)Cl	2176499821	VYINUGKPMGLUAK-UHFFFAOYSA-N	321.786	0.746	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1[C@H]2CCCC(F)(F)[C@H]21	2284142973	RMWANMRMQIVMRJ-IWSPIJDZSA-N	312.313	0.683	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)[C@@H](N)c1cccs1	159619571	YRNNAVSQLKZNBF-PWSUYJOCSA-N	311.407	0.502	70	10	DCIE	
CNC[C@@H]1CCCN1c1cnn(CCN(C)C)c(=O)c1Cl	159956409	DECPPFXHGALCHR-NSHDSACASA-N	313.833	0.647	70	10	DCIE	
CCN(CCNCC#N)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1716240529	GGVVCFOSEGXVCO-UHFFFAOYSA-N	302.331	0.248	70	10	DCIE	
CC[C@H]1OCC[C@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923176910	FGRBSXFTGKKRGT-HTQZYQBOSA-N	305.331	0.254	70	10	DCIE	
CC#CCN(C)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	1964008307	NCRZVZPQEREUSK-UHFFFAOYSA-N	305.352	0.989	70	10	DCIE	
C[C@H](CCCN1CC[C@H](S(C)(=O)=O)C1)S(=O)(=O)Cl	2059345524	YBYYPNNVZCREJH-ZJUUUORDSA-N	317.860	0.843	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)c2ncccc2F)C1	2134976218	HZEJJDOKCUDULP-UHFFFAOYSA-N	312.319	0.141	70	10	DCIE	
O=C(NCC(=O)N1CC[C@H](S(=O)(=O)F)C1)c1cccs1	2144733680	SGECOXLGOFVYFW-QMMMGPOBSA-N	320.367	0.378	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2COCC[C@H]2C)c1S(=O)(=O)Cl	2152555392	VTBPSSNNCWZHKM-HTRCEHHLSA-N	321.786	0.800	70	10	DCIE	
NC(=O)COCCOc1c(F)cc(F)cc1S(=O)(=O)F	2241013013	GXOIXTKXNAUFNX-UHFFFAOYSA-N	313.253	0.504	70	10	DCIE	
Cc1[nH]nc(C(=O)NC23COCC(C2)C3)c1S(=O)(=O)Cl	2288689996	BRDHINYJXYTZFV-UHFFFAOYSA-N	319.770	0.554	70	10	DCIE	
O=S(=O)(C[C@@H]1CCOC1)N1CCC(Cn2cccn2)CC1	159405817	NODFICCPMHUDEU-CQSZACIVSA-N	313.423	0.961	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1c1cnccc1C(N)=S	159806782	MGWSVDINOOHKST-GFCCVEGCSA-N	308.407	0.447	70	10	DCIE	
C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1COc2ccc(S(N)(=O)=O)cc21	160340800	JEEWEUDWSXDIRL-KBVBSXBZSA-N	310.375	0.582	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cccc([C@H](C)N)c2)CCOC1	160661507	UXRIFJOUIFIZSW-FZMZJTMJSA-N	314.407	0.790	70	10	DCIE	
CC(C)[C@@H](CCO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O	160684189	UNASMGCAUSYRQV-GFCCVEGCSA-N	319.361	0.213	70	10	DCIE	
CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(OC)nn1)CC2	160702009	OCDXQBVLBUCCAJ-SECBINFHSA-N	302.338	0.384	70	10	DCIE	
Cc1cc(C(N)=S)cc(NCCC(=O)N2CCOCC2)n1	161374319	CXZGYGTZQBQOHM-UHFFFAOYSA-N	308.407	0.685	70	10	DCIE	
COC(=O)[C@H](C)S(=O)(=O)N1CCC[C@@H]([C@@H]2CCCN2)C1	218723736	XGVMTJDMSGJHSV-TUAOUCFPSA-N	304.412	0.342	70	10	DCIE	
CCOC(=O)c1cnn([C@H]2CCOC2)c1S(=O)(=O)Cl	388905757	UYYXWXMXFAGMRX-ZETCQYMHSA-N	308.743	0.949	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@]2(C)CCCS2)[nH]1	1923166565	AMPPIYOUBUZPSA-JTQLQIEISA-N	307.372	0.724	70	10	DCIE	
C[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)F)CC2)CCS1	1974014851	NIMMEBODCJXOLA-UWVGGRQHSA-N	310.416	0.877	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1c(F)cccc1F	1974058069	CMUQSTIOWJQGHZ-UHFFFAOYSA-N	308.281	0.841	70	10	DCIE	
Cc1cnn(C)c1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394421	IUBXXVCDWWUGGU-UHFFFAOYSA-N	304.347	0.137	70	10	DCIE	
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CCCCS(=O)(=O)Cl	2050971158	XEDLEOUFYYVQTM-NXEZZACHSA-N	317.860	0.843	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2[C@H]3OCC[C@@H]32)c1S(=O)(=O)Cl	2120028987	KNXJQJAGRHXPLP-JKMUOGBPSA-N	305.743	0.163	70	10	DCIE	
Cc1cc(CS(=O)(=O)N2CC(CS(=O)(=O)F)C2)no1	2134976880	MAKPPLQSAMIIII-UHFFFAOYSA-N	312.344	0.044	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CC(C)(CS(C)(=O)=O)C2)n1	2173177902	CORCEQZCENOVHP-UHFFFAOYSA-N	322.141	0.710	70	10	DCIE	
Cc1ccnc(C)c1C(=O)NCC1CN(S(=O)(=O)F)C1	2186431871	LBQHUFNGUICBSD-UHFFFAOYSA-N	301.343	0.574	70	10	DCIE	
C[C@]1(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)CCCOC1	2192845742	XELUZLYSMKKMDO-LLVKDONJSA-N	322.770	0.693	70	10	DCIE	
CCc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)cc1	2284120643	UZDXKVDXQFRKPF-UHFFFAOYSA-N	322.383	0.426	70	10	DCIE	
Cc1cnc(O[C@H]2CCN(S(C)(=O)=O)C2)c([B-](F)(F)F)c1	2285600540	PYUVFUPNEICDDI-VIFPVBQESA-N	323.125	0.857	70	10	DCIE	
COCc1nc2n(n1)C[C@H](NC(=O)N1C[C@H](C)O[C@@H](C)C1)CC2	160616097	PGWXQNXWQCBEQS-SDDRHHMPSA-N	323.397	0.558	70	10	DCIE	
CN[C@@H](c1c(Cl)cnn1CCOC)[C@H]1CN(C)CCO1	161051485	QNQTZUCATRUWGR-VXGBXAGGSA-N	302.806	0.774	70	10	DCIE	
CN(C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	163299051	KELMKNFGDVZGFK-UHFFFAOYSA-N	324.399	0.575	70	10	DCIE	
CS(=O)(=O)CC[C@H](N)C(=O)N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217877133	WGRWPMZRYKFFIV-DHRKEOQWSA-N	314.451	0.689	70	10	DCIE	
CCCC(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218623685	MAPDQHTVAXZQQT-UHFFFAOYSA-N	301.354	0.506	70	10	DCIE	
NC(=O)CCCCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	302609277	XRZZXKLGUSQNIO-UHFFFAOYSA-N	310.719	0.374	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@@H]1C[C@H]2COC[C@@H]2O1	724637215	SHKYLMPLEZSKNZ-GUBZILKMSA-N	306.771	0.923	70	10	DCIE	
CCCn1c(-c2cc(O)nn2C)nnc1S(=O)(=O)Cl	1913088872	PKQZGVKKQMXLNP-UHFFFAOYSA-N	305.747	0.722	70	10	DCIE	
CN1C(C)(C)[C@@H](OS(=O)(=O)C(F)(F)F)CS1(=O)=O	1931277727	JBSPUBUAPJQNMG-YFKPBYRVSA-N	311.303	0.275	70	10	DCIE	
O=S1(=O)C[C@@H]2CCN(c3ncc([B-](F)(F)F)cn3)[C@H]2C1	2116137548	ZUCNRVLQJYRFIR-CBAPKCEASA-N	306.098	0.154	70	10	DCIE	
Cc1ccnc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)c1[B-](F)(F)F	2172784152	ASPJMJXPPJFDKJ-UWVGGRQHSA-N	319.137	0.925	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2[C@@H]3CCO[C@@H]32)c1S(=O)(=O)Cl	2176436784	VMJHEDPREVUZKL-OOZYFLPDSA-N	319.770	0.410	70	10	DCIE	
CNC(=O)COc1c(F)cc([N+](=O)[O-])cc1S(=O)(=O)F	2191425846	ITMQEJUEQMEPFJ-UHFFFAOYSA-N	310.234	0.517	70	10	DCIE	
COC[C@@](C)(OC)C(=O)Nc1ccc(S(=O)(=O)F)nc1	2198216013	JETCDFXGQUJPIE-LLVKDONJSA-N	306.315	0.730	70	10	DCIE	
CCn1cc(Cl)cc1C(=O)NC1CN(S(=O)(=O)F)C1	2268803356	FCSMPIUZJGMBMP-UHFFFAOYSA-N	309.750	0.790	70	10	DCIE	
Nc1cccc(F)c1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287064472	BZIPEWMJAALTQR-ZETCQYMHSA-N	305.306	0.426	70	10	DCIE	
CC(C)(C)NC(=O)CNc1ccc(S(N)(=O)=O)c(N)c1	159853043	CBRRSSMHZAMDBJ-UHFFFAOYSA-N	300.384	0.243	70	10	DCIE	
CCCCOCCCNS(=O)(=O)c1cn(CC)nc1N	160162599	AOVSVXKTNPPKDV-UHFFFAOYSA-N	304.416	0.970	70	10	DCIE	
C[C@H]1CN(c2ccc(C(=O)NC3(CO)CC3)cn2)C[C@@H](C)O1	160286688	HWERTWDTABWOAD-TXEJJXNPSA-N	305.378	0.950	70	10	DCIE	
O=C(NC[C@@H]1CCCO1)N1CCCN(c2cccnn2)CC1	160767244	PVTNHDFEZFIIEI-ZDUSSCGKSA-N	305.382	0.877	70	10	DCIE	
O=S(=O)(NC[C@H]1CCCN1c1nccs1)c1cnc[nH]1	217799772	BFEVAZUFKJXPQV-SECBINFHSA-N	313.408	0.814	70	10	DCIE	
CS(=O)(=O)N1CCC[C@H](Oc2cncc([B-](F)(F)F)c2)C1	689733074	PATULJWTUXMTFF-JTQLQIEISA-N	323.125	0.939	70	10	DCIE	
Cc1cc(S(=O)(=O)Cl)ccc1NC(=O)c1nnn(C)n1	697221140	KOZRKQFTVVQSAZ-UHFFFAOYSA-N	315.742	0.698	70	10	DCIE	
C[C@H](Br)CC(=O)N1CCN(S(=O)(=O)F)CC1	1901502252	XOHVTMQWRWIKMB-ZETCQYMHSA-N	317.180	0.518	70	10	DCIE	
C[C@]1(C[C@@H]2CCCS2(=O)=O)CC(=O)N1S(=O)(=O)Cl	2039058162	KWOQMEANGAFSTC-CBAPKCEASA-N	315.800	0.428	70	10	DCIE	
Cn1c(C(F)(F)[C@H]2CCOC2)nnc1S(=O)(=O)Cl	2065522584	BPCGFTXTTCIQPN-YFKPBYRVSA-N	301.702	0.871	70	10	DCIE	
CCCn1c([C@@H]2CO[C@@H]3COC[C@@H]32)nnc1S(=O)(=O)Cl	2158060993	XEQQHIFYVIHTFZ-IWSPIJDZSA-N	321.786	0.744	70	10	DCIE	
C[C@H]1C[C@@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CCS1	2159691043	YQGKLZFZQBCNFJ-YUMQZZPRSA-N	321.399	0.970	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCO[C@@]3(CCCOC3)C2)nc1	2172784289	BQMMWGGYOBTFGY-LBPRGKRZSA-N	302.085	0.917	70	10	DCIE	
CN(C1COC1)C1CN(c2ncc([B-](F)(F)F)cc2F)C1	2173111158	FHPZFROWCGHLMW-UHFFFAOYSA-N	304.076	0.794	70	10	DCIE	
O=C(COc1cccc(F)c1)NC1CN(S(=O)(=O)F)C1	2284152102	VOKHKXJKXWSBBH-UHFFFAOYSA-N	306.290	0.219	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@@H]2CC[C@H](C1)O2	2287067242	BUKUPFARRQQQFO-DBIOUOCHSA-N	306.359	0.349	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1CC[C@@H]2C[C@H]1CO2	2359087673	RDGOXYKBZILSCP-AXFHLTTASA-N	306.359	0.064	70	10	DCIE	
CCOc1ccc(C(=O)NC[C@H](O)Cn2ccccc2=O)cn1	218446366	YCBXNHXACCQOGB-ZDUSSCGKSA-N	317.345	0.433	70	10	DCIE	
CNC(=O)NC(=O)[C@H](C)n1cc(S(=O)(=O)Cl)nc1C	215901173	WDDHCDYFCCCXKI-YFKPBYRVSA-N	308.747	0.136	70	10	DCIE	
O=C(Cn1cccn1)N(CCN1CCOCC1)C1CCOCC1	217285273	DUUBUOLZTSMXSI-UHFFFAOYSA-N	322.409	0.223	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C1(Br)CC1	2244562518	VBGWYSSKLXBKSJ-LURJTMIESA-N	315.164	0.319	70	10	DCIE	
Cn1ncc(C(=O)NCc2ccc(S(=O)(=O)Cl)s2)n1	388620942	FQPCSRKMWWYMMI-UHFFFAOYSA-N	320.783	0.734	70	10	DCIE	
CC(C)(C)OC(=O)NC[C@@]12CN(S(=O)(=O)F)C[C@H]1CCO2	1957337305	VAXXGTQQEFVGGF-BXKDBHETSA-N	324.374	0.816	70	10	DCIE	
C=CC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OCC	1466783541	QEUPEDLAHBVSLM-VIFPVBQESA-N	318.326	0.911	70	10	DCIE	
Cn1nnnc1NC(=O)CCc1ccc(S(=O)(=O)F)cc1	1534985187	DWILZCJAFFWVTG-UHFFFAOYSA-N	313.314	0.440	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1Cc1ncnn1C	2125954135	QLJKTLAIXMTSPU-UHFFFAOYSA-N	305.747	0.134	70	10	DCIE	
O=C(NCC1(O)CCCCCC1)N[C@@H]1CCc2ncnn2C1	161111323	SNGORERCMYPKFD-GFCCVEGCSA-N	307.398	0.977	70	10	DCIE	
O=C1CC[C@@H]2CN(S(=O)(=O)C[C@H]3CCCCN3)CC[C@H]2N1	160449913	TYJHNRFBXVHCHE-JHJVBQTASA-N	315.439	0.059	70	10	DCIE	
Cc1cccc(NC[C@H]2CCN(CCN3C(=O)CNC3=O)C2)n1	160912462	DSKCGFSNAUTFBO-CYBMUJFWSA-N	317.393	0.676	70	10	DCIE	
C[C@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	157068735	KLFOTQRDHGXMKH-VXNVDRBHSA-N	306.771	0.860	70	10	DCIE	
CC1CCN(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)CC1	2134977060	OBMXCLIKXOQNON-UHFFFAOYSA-N	314.404	0.194	70	10	DCIE	
COC1CC(CCC(=O)N2CCN(S(=O)(=O)F)CC2)C1	1974013772	ADQVQGPKYIIKRJ-UHFFFAOYSA-N	308.375	0.550	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1cccnc1F	1974401332	APNDSXDTOURJDW-UHFFFAOYSA-N	305.306	0.629	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)CCc2ccncc2)C1	2199685712	GTMRSBFPAAHTTL-UHFFFAOYSA-N	322.383	0.185	70	10	DCIE	
Cc1cn2c(CC(=O)N3CC(S(=O)(=O)F)C3)csc2n1	2199691622	CEVFIKBFFCOWJT-UHFFFAOYSA-N	317.367	0.757	70	10	DCIE	
COC[C@](C)(CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1)OC	2198215028	GMFGFMRZVQCEHG-NSHDSACASA-N	324.786	0.724	70	10	DCIE	
Cc1oc(C(=O)NC2[C@H]3COC[C@H]23)cc1S(=O)(=O)Cl	2118018973	YROYDURYDPRMHJ-BQBZGAKWSA-N	305.739	0.890	70	10	DCIE	
C[C@@H](CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1)C(F)(F)F	2271486231	VLWSJNKLCAWYRC-BQBZGAKWSA-N	306.281	0.980	70	10	DCIE	
O=C(CSc1ccncc1)NC1CN(S(=O)(=O)F)C1	2268803118	BMIXHYOYLXFJBT-UHFFFAOYSA-N	305.356	0.188	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1c(O)cccc1O	2287077380	WJXGYBLNJZEOPV-ZETCQYMHSA-N	304.299	0.116	70	10	DCIE	
CS[C@H](C(=O)NC1CCN(S(=O)(=O)F)CC1)C1CC1	2335902014	KKKMAOXIVXHAJO-JTQLQIEISA-N	310.416	0.923	70	10	DCIE	
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H]([B-](F)(F)F)C1	2342470825	LXHZVDDRYUKNGC-IUCAKERBSA-N	313.130	0.860	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C[C@@H]2CC[C@H]1O2	2355109951	NPNNMNQKLAOXIF-HBNTYKKESA-N	306.359	0.349	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C[C@H]2CC[C@@H]1O2	2355109952	NPNNMNQKLAOXIF-MXWKQRLJSA-N	306.359	0.349	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2CCCCO2)c1S(=O)(=O)Cl	115798000	SGQZEJZWKOCDSX-QMMMGPOBSA-N	321.786	0.945	70	10	DCIE	
COCCOCCOCCOC[C@H](C)CS(=O)(=O)Cl	127465618	SLMHKQPCURVIMX-NSHDSACASA-N	318.819	0.887	70	10	DCIE	
CCOC(=O)c1nnn(CCS(=O)(=O)CC)c1C(F)F	159564584	GLURQWVGHBQVBD-UHFFFAOYSA-N	311.310	0.827	70	10	DCIE	
COc1ccc(S(=O)(=O)NC[C@]2(OC)CCOC2)cc1N	159904883	YZJDLHXVHCYYKM-CYBMUJFWSA-N	316.379	0.361	70	10	DCIE	
O=S1(=O)CCN[C@H](Cc2nc([C@@H]3CCCS3)no2)C1	160599846	KLUDLLIWHQXIKO-BDAKNGLRSA-N	303.409	0.567	70	10	DCIE	
CN[C@H]1CCN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C1	160694891	RBLJLUFEISTTHF-BGMSHATGSA-N	322.409	0.307	70	10	DCIE	
CNc1ccccc1S(=O)(=O)NC[C@]1(OC)CCOC1	161204445	LGSAIKWCYYUAJJ-CYBMUJFWSA-N	300.380	0.812	70	10	DCIE	
CCn1cnnc1[C@H]1CCCN(CCC(=O)N2CCOCC2)C1	161269640	UHYKCEVJHPMQAW-AWEZNQCLSA-N	321.425	0.726	70	10	DCIE	
CN(C)CCN(C(=O)NC(F)(F)F)[C@H]1CCS(=O)(=O)C1	217266928	IHVMSSGSBOBYLD-QMMMGPOBSA-N	317.333	0.267	70	10	DCIE	
O=C(NCCN1C(=O)CSC1=O)Nc1cc(O)cc(O)c1	217312288	QAIBDTMPTJEXHT-UHFFFAOYSA-N	311.319	0.915	70	10	DCIE	
O=C(NC[C@H](O)Cn1ccccc1=O)[C@H](O)c1ccccc1	218438376	SVZHVDWWTBEIOO-DZGCQCFKSA-N	302.330	0.059	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CO[C@H](C)C2)c1S(=O)(=O)Cl	401456156	HUDPCKHWSWWGAG-VDTYLAMSSA-N	307.759	0.553	70	10	DCIE	
O=C1C[C@@H](Cn2cc(S(=O)(=O)Cl)nc2C2CC2)CN1	704237179	GGFPFECBLIQSMY-SSDOTTSWSA-N	303.771	0.824	70	10	DCIE	
N#CCNC[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1717648643	IMCKMEUQGAOAOX-KYZUINATSA-N	314.342	0.294	70	10	DCIE	
CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(S(=O)(=O)F)C[C@@H]21	1955897309	CQGCUOMEUZAFQD-VHSXEESVSA-N	324.374	0.911	70	10	DCIE	
CCn1cnc(C(=O)NC2CCN(S(=O)(=O)F)CC2)c1	1974394964	SBGBGRQLEREUDY-UHFFFAOYSA-N	304.347	0.312	70	10	DCIE	
CO[C@H]1C[C@H](OCCOCCS(=O)(=O)Cl)C[C@H]1OC	2110100747	OGGDYHXGHIXKEF-RTCCRHLQSA-N	316.803	0.781	70	10	DCIE	
COc1ccnc(COC(=O)NS(=O)(=O)Cl)c1OC	2141655991	KJXCIWHFGBOAMQ-UHFFFAOYSA-N	310.715	0.809	70	10	DCIE	
CC(=O)c1cc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)n(C)c1	2144733510	QQENRCCOJWZGGG-SNVBAGLBSA-N	302.327	0.742	70	10	DCIE	
C[C@@H]1C[C@@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CCS1	2159691042	YQGKLZFZQBCNFJ-SFYZADRCSA-N	321.399	0.970	70	10	DCIE	
CN1CCN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)[C@@H]2CC[C@H]21	2168348737	UQZJYFZEYHXRSK-GHMZBOCLSA-N	317.798	0.861	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1C[C@H]1C(F)(F)F	2169024228	DLSGTQZAHIULQF-JGVFFNPUSA-N	318.292	0.980	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1Cc1nncn1C	2182344161	NXBYFBJLOIHLNX-UHFFFAOYSA-N	319.774	0.524	70	10	DCIE	
COC[C@H]1CC[C@@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2207416245	MUSWTPVVHOSXHK-SFYZADRCSA-N	321.786	0.800	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CCO[C@H]3COC[C@H]32)n1	2280640041	ACKRRGYCWFCTBB-ZJUUUORDSA-N	303.069	0.749	70	10	DCIE	
Cc1c(O)cccc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287074874	KMYKWURKXYGTGH-VIFPVBQESA-N	302.327	0.719	70	10	DCIE	
CN[C@H]1CC[C@H](C)C[C@@H]1CN1CCN(S(C)(=O)=O)CC1	217970698	GUOQODZDXFEZCX-MJBXVCDLSA-N	303.472	0.588	70	10	DCIE	
COc1ccccc1CCNC(=O)N1CCN(CCN)CC1	217335512	YAUMWWSOPFEPMV-UHFFFAOYSA-N	306.410	0.524	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)Nc2cccnn2)c1	460098211	WATWCFPVQYKGTC-UHFFFAOYSA-N	317.323	0.936	70	10	DCIE	
Cc1[nH]nc(C(=O)NCCOCCF)c1S(=O)(=O)Cl	702655430	PQMOIQQCRJRCIQ-UHFFFAOYSA-N	313.738	0.362	70	10	DCIE	
C[C@@H]1CN(CCCCS(=O)(=O)Cl)C[C@@H](C)S1(=O)=O	689035848	DCSHFLNHVLHDEA-NXEZZACHSA-N	317.860	0.843	70	10	DCIE	
CC(C)(Cn1cnc(S(=O)(=O)Cl)c1)CS(C)(=O)=O	694535971	SFDHRGWVHCQJTE-UHFFFAOYSA-N	314.816	0.881	70	10	DCIE	
C#CCCNC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1268704614	KKTDKUDWAXKFBP-VIFPVBQESA-N	301.343	0.404	70	10	DCIE	
CN[C@H](c1c(Cl)cnn1CCN(C)C)[C@H]1CN(C)CCO1	161050190	DZBLSQKEKZLYQS-OLZOCXBDSA-N	315.849	0.689	70	10	DCIE	
COCCn1c(-c2cnc(C)cn2)nnc1S(=O)(=O)Cl	158075442	FBENBLHANYHVFU-UHFFFAOYSA-N	317.758	0.617	70	10	DCIE	
O=C(NC[C@H](O)CN1CCCCC1)c1[nH]nc2c1CCCC2	160396987	RJVXWNYWDMRBEX-LBPRGKRZSA-N	306.410	0.865	70	10	DCIE	
CC(C)(CNC(=O)c1cc(S(C)(=O)=O)cs1)C(N)=O	160846784	FENQTJFHQIDZQW-UHFFFAOYSA-N	304.393	0.393	70	10	DCIE	
CCCn1c(NC(=O)C[C@@H]2NC(=O)NC2=O)nc2ccccc21	159467747	ZYFRNHZLMLHEAO-JTQLQIEISA-N	315.333	0.983	70	10	DCIE	
C[C@@H](N)c1ccc(S(=O)(=O)NCC(=O)NC(C)(C)C)cc1	159897708	CFMIMMOQVOOOPU-SNVBAGLBSA-N	313.423	0.899	70	10	DCIE	
Cn1nccc1C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1	159397015	ZZXCVHOKIYNAMH-DGCLKSJQSA-N	305.334	0.978	70	10	DCIE	
CCc1ncncc1C(=O)N1CCC[C@H](S(=O)(=O)F)C1	1968226411	BNQINYTZSDHPSG-VIFPVBQESA-N	301.343	0.943	70	10	DCIE	
CN([C@H]1CCOC1)S(=O)(=O)c1cccc(C(N)=S)c1	159447013	WTEQCBIPRHXGDC-JTQLQIEISA-N	300.405	0.730	70	10	DCIE	
CC[C@H](C#N)S(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2110223495	XXDOGEBCSNJMFQ-MRVPVSSYSA-N	307.328	0.784	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@]1(F)CCOC1	2238277153	ODBPTNMNMMJZFF-LLVKDONJSA-N	324.761	0.811	70	10	DCIE	
Cc1cc(O)cc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1	2287062453	GGZCNLUIWHONMW-JTQLQIEISA-N	302.327	0.719	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C1CC2(C1)CC2(F)F	2287078920	RGGFBVJFONCBNQ-CCNFQMFXSA-N	312.313	0.827	70	10	DCIE	
O=C(c1nnn2c1CCC2)N1CCC[C@H](S(=O)(=O)F)C1	2363872223	ZOLVXKQMPUHPNX-QMMMGPOBSA-N	302.331	0.128	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@@H]2CCO2)c1S(=O)(=O)Cl	2133033757	SUQHIKHIWUMQMP-LURJTMIESA-N	307.759	0.418	70	10	DCIE	
Cc1cnc(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)cn1	693572706	AYEZIDWQFRWUAX-UHFFFAOYSA-N	316.726	0.023	70	10	DCIE	
Cc1noc(CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)n1	1456344133	QPMYCWCQHJAYRR-UHFFFAOYSA-N	313.310	0.895	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N(C)CC2(O)CCOCC2)c1	161012233	XBRNPUDFRRPTOX-UHFFFAOYSA-N	314.407	0.739	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccc([C@H](C)O)cc2)CCOC1	161088825	MCZSIDBKUSTAEV-FZMZJTMJSA-N	315.391	0.824	70	10	DCIE	
Cc1ccc(NC(=O)C(=O)N(C)CC(=O)NC(C)(C)C)cn1	160662363	IHILMANVCKHEKM-UHFFFAOYSA-N	306.366	0.702	70	10	DCIE	
Cc1ccc(CN)cc1S(=O)(=O)NCCNC(=O)N(C)C	160809671	PUYJZBHMZRQNFZ-UHFFFAOYSA-N	314.411	0.003	70	10	DCIE	
NS(=O)(=O)c1ccc(CNc2ccn3nccc3n2)cc1	160898975	OQIMGODVCVMCFB-UHFFFAOYSA-N	303.347	0.989	70	10	DCIE	
CO[C@@]1(CNc2cc(N)cc(S(N)(=O)=O)c2C)CCOC1	159976294	QEQLZGAQBBHHON-CYBMUJFWSA-N	315.395	0.442	70	10	DCIE	
C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cnn(CCO)c2)[C@@H]1C	218253595	HUKIOPPOTCCMAS-NQBHXWOUSA-N	301.412	0.978	70	10	DCIE	
O=C(Cc1cccnc1)NC1CCN(S(=O)(=O)F)CC1	1974401965	IJECIEHIRCQBNJ-UHFFFAOYSA-N	301.343	0.419	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc(F)c(N)c2)CCOC1	159899704	OYCYBTQUHGMKRC-GFCCVEGCSA-N	304.343	0.492	70	10	DCIE	
Cc1ncnc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)c1[B-](F)(F)F	2172764322	BBYRDNWIYJDWKG-RKDXNWHRSA-N	320.125	0.320	70	10	DCIE	
Cc1noc(C)c1CC(=O)N1CC(CCS(=O)(=O)F)C1	2199690945	VFPARMHRXWKZQK-UHFFFAOYSA-N	304.343	0.982	70	10	DCIE	
COc1ccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)cc1C	2199698537	OMRPDHANDGKKEV-UHFFFAOYSA-N	323.367	0.676	70	10	DCIE	
C[C@H]1[C@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)C1(F)F	2112724796	NPZPPKHCBPZULN-POYBYMJQSA-N	300.302	0.683	70	10	DCIE	
CO[C@H](C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)C1CCCC1	2287064524	CVBZFEOSYKIHDX-MNOVXSKESA-N	308.375	0.596	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC[C@H]2C[C@H]1CO2	2287064887	HDYHERNDZPEVCY-ZRUFSTJUSA-N	306.359	0.206	70	10	DCIE	
COC[C@@H]1CCN(C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	115806716	DDQIJJIVDZJPDR-MRVPVSSYSA-N	321.786	0.754	70	10	DCIE	
CO[C@@]1(CNC(=O)[C@@H](C(N)=S)c2ccccc2)CCOC1	160495224	ANFKMDQSIIBOAK-IUODEOHRSA-N	308.403	0.978	70	10	DCIE	
C[C@H](N)c1ccc(S(=O)(=O)NCCNC(=O)C2CC2)cc1	160824576	CGRGGHLWSZQWNS-JTQLQIEISA-N	311.407	0.511	70	10	DCIE	
COCCN(C(=O)Nc1ccco1)[C@@H]1CCS(=O)(=O)C1	217271993	NRHLDJPOMLBPAO-SNVBAGLBSA-N	302.352	0.947	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1Cc1ncccn1	380056889	TZIHVXPWLUFIOY-UHFFFAOYSA-N	317.714	0.866	70	10	DCIE	
CC(C)(C)n1nnc(Cn2cc(S(=O)(=O)Cl)cn2)n1	690489659	NDEOPUALLJRPGA-UHFFFAOYSA-N	304.763	0.600	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N[C@]23COC[C@@H]2C3)c1	718104103	YZZXEXQIYJJCDQ-GZMMTYOYSA-N	321.351	0.412	70	10	DCIE	
O=S(=O)(F)CCn1cc(I)cn1	826653192	FDTLXSXSOIQZBR-UHFFFAOYSA-N	304.084	0.787	70	10	DCIE	
O=C(NC[C@H]1CN2CCC1CC2)c1cc(S(=O)(=O)F)c[nH]1	1636747797	QJIHPEKFTOVDSS-JTQLQIEISA-N	315.370	0.745	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)C[C@H]1CC[C@@H](F)C1	1945230094	GVIVWBFMXBXBIW-JGVFFNPUSA-N	307.796	0.613	70	10	DCIE	
C#CCN(CCF)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	1965845122	BUJOACJKTFRXEO-UHFFFAOYSA-N	323.342	0.938	70	10	DCIE	
CC[C@H](C)S(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2049919191	SLOODXJCZSLXMZ-QMMMGPOBSA-N	302.393	0.383	70	10	DCIE	
CC(C)(C)S(=O)(=O)C[C@@]1(C)CC(=O)N1S(=O)(=O)Cl	2051044553	SEHQXBSXPHVMRK-SECBINFHSA-N	317.816	0.674	70	10	DCIE	
CO[C@H]1COC[C@@H]1CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2154133295	PNEGFANGTMZGFA-XVKPBYJWSA-N	322.770	0.333	70	10	DCIE	
COCCn1c(S(=O)(=O)Cl)nnc1[C@]12C[C@](C)(CO1)C2	2205376297	KSTVKWPIOBNYQP-PHIMTYICSA-N	321.786	0.878	70	10	DCIE	
CCCc1nnsc1C(=O)NC1CN(S(=O)(=O)F)C1	2268794829	GAPOZMJKASUPMR-UHFFFAOYSA-N	308.360	0.119	70	10	DCIE	
Cc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)cc1C	2284151255	POHAFMXUMBZWBB-UHFFFAOYSA-N	322.383	0.480	70	10	DCIE	
Cc1cccc(CC(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1	2287069702	BYYYWLPLSQWWFB-LBPRGKRZSA-N	300.355	0.942	70	10	DCIE	
C#CCNC(=O)[C@H](C)n1nc(C)c(S(=O)(=O)Cl)c1C	215843226	DXQLBJLXNKRLSI-VIFPVBQESA-N	303.771	0.738	70	10	DCIE	
Cc1cc(OCC(=O)NC(N)=O)cc(C)c1S(=O)(=O)Cl	216087927	CYKNLBRBQCBVHW-UHFFFAOYSA-N	320.754	0.805	70	10	DCIE	
CCn1c(-c2ccn(C)c(=O)c2)nnc1S(=O)(=O)Cl	234241411	GDGLHZUHKDCTRQ-UHFFFAOYSA-N	302.743	0.591	70	10	DCIE	
Cc1c(C(=O)O)cc(OS(=O)(=O)F)cc1S(=O)(=O)F	1887515178	FNISABVEJNVFQH-UHFFFAOYSA-N	316.259	0.945	70	10	DCIE	
Cc1cncc(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1	1520303819	YSZORVCPMXOWTF-UHFFFAOYSA-N	312.326	0.744	70	10	DCIE	
C[C@@H](CNCCCF)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1666620216	NIGVGYJREAGHLA-VIFPVBQESA-N	323.365	0.988	70	10	DCIE	
COCCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1C(C)C	215736570	ZFBDRHHQRHXLLC-UHFFFAOYSA-N	323.802	0.697	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1cccc(F)c1N	161008064	LGHQHSFPRFOKOF-UHFFFAOYSA-N	318.370	0.570	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1	161121769	YFNUKRQYDRMIIM-BXKDBHETSA-N	324.381	0.319	70	10	DCIE	
Cn1nnc2cc(C(=O)N3CCS(=O)(=O)C(C)(C)C3)ccc21	160073889	DBBQZQIZLVEBMD-UHFFFAOYSA-N	322.390	0.618	70	10	DCIE	
CCOC(=O)C[C@@H](C)NC(=O)Cn1c(=O)[nH]c2ccccc21	160544639	FSEDVCCPVRZIQS-SNVBAGLBSA-N	305.334	0.788	70	10	DCIE	
Cc1cc(CS(=O)(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)no1	160705763	RAWJYEGIGFSWTM-ZYHUDNBSSA-N	313.379	0.413	70	10	DCIE	
CC[C@H](CCOC)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923174234	PVMPUEJUJKLEIP-MRVPVSSYSA-N	307.347	0.501	70	10	DCIE	
C[C@H](CC(=O)N1CCN(S(=O)(=O)F)CC1)C(F)(F)F	1974000707	FJDKMXWOZYCPPC-SSDOTTSWSA-N	306.281	0.933	70	10	DCIE	
CC[C@H]1CC[C@@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)O1	1974394470	JNDLSFDSOHOLTA-QWRGUYRKSA-N	308.375	0.739	70	10	DCIE	
COc1cc(NC(=O)c2c[nH]nn2)ccc1S(=O)(=O)Cl	157407174	ZMBRJMRUDNXGJN-UHFFFAOYSA-N	316.726	0.993	70	10	DCIE	
CN([C@@H]1CCOC1)S(=O)(=O)c1ccccc1C(N)=S	159445212	DTPLNYAVHSSTIP-SECBINFHSA-N	300.405	0.730	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@@H]3OCC[C@H]32)c1S(=O)(=O)Cl	2151829494	FKBSYGYLIIUDOB-RNJXMRFFSA-N	319.770	0.553	70	10	DCIE	
Cc1cnc(N(C)CCN(C)S(C)(=O)=O)c([B-](F)(F)F)c1	2172793215	BTHYVKSAPSRAKD-UHFFFAOYSA-N	324.157	0.772	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CCC(=O)N1	2182343349	HNADFUUHBTVAQW-QMMMGPOBSA-N	321.786	0.626	70	10	DCIE	
O=C([C@H]1C[C@H]1C(F)(F)F)N1CCN(S(=O)(=O)F)CC1	2107409339	BBVJHRLSRAPCAM-NKWVEPMBSA-N	304.265	0.543	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CCCC(F)(F)C1	2268800040	XRDHODOMQJBARG-SSDOTTSWSA-N	300.302	0.827	70	10	DCIE	
COCc1ccccc1C(=O)NC1CN(S(=O)(=O)F)C1	2284151394	QBGAFNLZNUIDAL-UHFFFAOYSA-N	302.327	0.461	70	10	DCIE	
COCc1cccc(C(=O)NC2CN(S(=O)(=O)F)C2)c1	2284150873	MSQXOQJXVXKCFO-UHFFFAOYSA-N	302.327	0.461	70	10	DCIE	
O=c1[nH]c(=O)n(Cc2ccc(F)cc2)cc1S(=O)(=O)Cl	112727658	ASFHOHYXCLHPJY-UHFFFAOYSA-N	318.713	0.652	70	10	DCIE	
O=c1c(Cl)c(NCC[C@@H]2CCCNC2)cnn1CCO	159409431	LBXYBHYWFQCJPQ-JTQLQIEISA-N	300.790	0.691	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)c1F	159443052	ROEPVNJSWSRLLN-SECBINFHSA-N	315.370	0.602	70	10	DCIE	
CNS(=O)(=O)c1ccc(CNC[C@@]2(OC)CCOC2)o1	160081993	ASSYPBKAJFHWPQ-LBPRGKRZSA-N	304.368	0.083	70	10	DCIE	
Cn1cnc2cc(C(=O)NC3(C(N)=O)CCCCC3)cnc21	160183500	HXIHSGPHQJFDBK-UHFFFAOYSA-N	301.350	0.886	70	10	DCIE	
CNCCn1nc(C)c(S(=O)(=O)NC[C@@H]2C[C@H]2C)c1C	160807088	FPQASQXIXRVNHJ-SKDRFNHKSA-N	300.428	0.654	70	10	DCIE	
CCN(CC(=O)OC)C(=O)/C=C\S(=O)(=O)c1ccccc1	218043883	CROHFQZJYVUDTH-KTKRTIGZSA-N	311.359	0.996	70	10	DCIE	
COCCn1c([C@H]2CCOC[C@@H]2C)nnc1S(=O)(=O)Cl	305962680	KDYIMOOBEMYQQT-IUCAKERBSA-N	323.802	0.992	70	10	DCIE	
CO[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)Cl)cn2C)C1	706670394	XLMSNWGKCDLVDQ-ZKCHVHJHSA-N	306.771	0.860	70	10	DCIE	
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1123568004	OBTGUERMIYSPEJ-SFYZADRCSA-N	317.342	0.399	70	10	DCIE	
Cc1c(N)cc(CN2CCNCC2)c(C)c1S(=O)(=O)F	1887519614	DEHWFIOLVGDUAZ-UHFFFAOYSA-N	301.387	0.949	70	10	DCIE	
CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](S(=O)(=O)F)C1	1968234861	GKJRAVJOGHWZJI-QWRGUYRKSA-N	308.375	0.437	70	10	DCIE	
C[C@@H](CCCN1CC(CS(C)(=O)=O)C1)S(=O)(=O)Cl	2041509332	RVVXMGYKRXLIHQ-VIFPVBQESA-N	317.860	0.700	70	10	DCIE	
CCOC1(CNC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)CC1	2166603995	OGDZKEQYASQHTB-UHFFFAOYSA-N	321.786	0.945	70	10	DCIE	
Cc1cc(N(C)CCN(C)S(C)(=O)=O)ncc1[B-](F)(F)F	2172778624	RSWZVZWXBNEKKP-UHFFFAOYSA-N	324.157	0.772	70	10	DCIE	
CC(C)(C)OC(=O)N1CC2(COCCN2S(=O)(=O)F)C1	1953876212	VIHDDTYAJYLDLU-UHFFFAOYSA-N	310.347	0.522	70	10	DCIE	
NS(=O)(=O)c1cc([N+](=O)[O-])c(S(=O)(=O)Cl)s1	101686682	KUGMYCLDVTWFIW-UHFFFAOYSA-N	306.730	0.231	70	10	DCIE	
O=C([C@H]1CC[C@@H]2C[C@H]1CO2)N1CC(CCS(=O)(=O)F)C1	2359088022	VEDXZQVEIPYDIK-TUAOUCFPSA-N	305.371	0.949	70	10	DCIE	
CO[C@@H]1CN(S(=O)(=O)Cl)C[C@@H]1NC(=O)OC(C)(C)C	1880793256	CVPQLLGDKUPHNA-JGVFFNPUSA-N	314.791	0.694	70	10	DCIE	
CC[C@H](NC(C)=O)C(=O)Nc1ncc(S(=O)(=O)F)s1	1131810141	HUMDSLQQEWMVTQ-LURJTMIESA-N	309.344	0.655	70	10	DCIE	
O=C(NC[C@]1(C2CC2)CCN(S(=O)(=O)F)C1)C(F)(F)F	1955902061	UNSFRGHGIOTGMF-SECBINFHSA-N	318.292	0.981	70	10	DCIE	
C[C@@H](Cn1cc(S(=O)(=O)Cl)cn1)CS(C)(=O)=O	689699240	UQWUOXLSXWOKMO-ZETCQYMHSA-N	300.789	0.491	70	10	DCIE	
O=S1(=O)C[C@H]2CCN(c3ncc([B-](F)(F)F)cn3)[C@@H]2C1	2116137550	ZUCNRVLQJYRFIR-VXNVDRBHSA-N	306.098	0.154	70	10	DCIE	
C#CCCN[C@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1570633447	HMCWDNUYBSTWQW-ZJUUUORDSA-N	315.370	0.793	70	10	DCIE	
CC(C)OCCNC(=O)c1cc(S(N)(=O)=O)cc(F)c1F	161479939	FIHBJTMDJHGVJD-UHFFFAOYSA-N	322.333	0.767	70	10	DCIE	
CCC[C@@H](C(=O)OCC)N1CCOC[C@@H]1C(=O)NC(C)C	160061318	ZXJQAQMVUJFALJ-QWHCGFSZSA-N	300.399	0.944	70	10	DCIE	
CC(C)N(C[C@H](C)O)C(=O)NCCNC(=O)c1cccnc1	160242197	GDXHUNYABLYLOQ-LBPRGKRZSA-N	308.382	0.612	70	10	DCIE	
COc1ccc(C(=O)NCCCC(=O)NC2(CO)CC2)cc1	160331814	BPIZGTJIHMXKFU-UHFFFAOYSA-N	306.362	0.846	70	10	DCIE	
CNC(=O)[C@H]1COCCN1Cc1ccc(C(N)=S)cc1F	159818833	CFIMBEJFZGLSEW-GFCCVEGCSA-N	311.382	0.407	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N2CCNC(=O)C2(C)C)c1F	159521279	NLBJRWFQRGDDCR-UHFFFAOYSA-N	315.370	0.615	70	10	DCIE	
COCCN1CCC[C@H]1CNC(=O)N1CCC([C@H](C)O)CC1	159552670	LSULASOSTQDGOL-ZFWWWQNUSA-N	313.442	0.900	70	10	DCIE	
C[C@]1(C(F)F)C[C@@H]1C(=O)N1CCN(S(=O)(=O)F)CC1	1974015150	QBLUCRNRNLNFQN-XCBNKYQSSA-N	300.302	0.636	70	10	DCIE	
COc1cnccc1C(=O)N1CCC(S(=O)(=O)F)CC1	2144732556	HDZRYAYKEVCMAN-UHFFFAOYSA-N	302.327	0.994	70	10	DCIE	
COCCNCCNc1c(Cl)cnn(CC2CC2)c1=O	159995764	LWOPZFVUXUTEOW-UHFFFAOYSA-N	300.790	0.955	70	10	DCIE	
CC(C)Cn1ncc(N2CCO[C@H](CN)C2)c(Cl)c1=O	160064374	UJPNGRFTJQALPG-SNVBAGLBSA-N	300.790	0.717	70	10	DCIE	
O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@]2(O)CCCC[C@@H]2C1	160467378	IUZAQLJORZGGAQ-YRGRVCCFSA-N	301.408	0.575	70	10	DCIE	
C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	163334857	MEWSEYGECMPUBY-KWQFWETISA-N	323.367	0.801	70	10	DCIE	
O=c1nc(O)n(CCC2CCOCC2)cc1S(=O)(=O)Cl	312776223	GZSBJQADLUISEK-UHFFFAOYSA-N	322.770	0.693	70	10	DCIE	
COc1nc(N(C)CCn2cccn2)ncc1[B-](F)(F)F	2172771303	XWNSJLYDJZFHJV-UHFFFAOYSA-N	300.073	0.873	70	10	DCIE	
CO[C@H]1CC(C(=O)N2CC(CS(=O)(=O)F)C2)C[C@@H]1OC	2199683246	WFKZKOGCEIXDJZ-QWRGUYRKSA-N	309.359	0.184	70	10	DCIE	
CCCc1[nH]nc(C(=O)N[C@@H]2C[C@@H]2OC)c1S(=O)(=O)Cl	2188223528	MAGXXURQYMPKQT-SFYZADRCSA-N	321.786	0.807	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)[C@H]2CC2(F)F)n1	2112525404	KMOWRLZZDKTXBG-YFKPBYRVSA-N	319.286	0.228	70	10	DCIE	
CCS(=O)(=O)CCCn1cnc(S(=O)(=O)Cl)c1	114497327	YSBZKAIWHOKTHQ-UHFFFAOYSA-N	300.789	0.635	70	10	DCIE	
C[C@@H](O)[C@@H](N)CNc1c(Cl)cnn(CC2CCC2)c1=O	159558187	XFIWKFJHFLJTFC-KCJUWKMLSA-N	300.790	0.817	70	10	DCIE	
CCCn1ncc(N2CCO[C@@H](CNC)C2)c(Cl)c1=O	159849213	KWJHBJVKPAWYNB-JTQLQIEISA-N	300.790	0.731	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)Cc1ccccc1CN	159869120	LRUDEMYJGPXSSG-UHFFFAOYSA-N	313.423	0.479	70	10	DCIE	
C[C@@H](CNS(=O)(=O)CCC1CCNCC1)N1CCCC1	161231409	LQCJKUQVTQLCRO-ZDUSSCGKSA-N	303.472	0.780	70	10	DCIE	
CSCC[C@@H](C)N(C)C(=O)C[C@H]1CS(=O)(=O)CCN1	161249728	MAXKYGOXGKXNKV-MNOVXSKESA-N	308.469	0.363	70	10	DCIE	
CCn1nnc(Cn2nc(C)c(S(=O)(=O)Cl)c2C)n1	1893048397	MCAUWZUIMHWZFJ-UHFFFAOYSA-N	304.763	0.482	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)[nH]1	1923155875	GEEBEJGWZAPDGJ-YIZRAAEISA-N	301.343	0.875	70	10	DCIE	
COc1ccc(CC(=O)N2CC(CS(=O)(=O)F)C2)cc1	1968216414	YQXAZAOJJYKLJC-UHFFFAOYSA-N	301.339	0.995	70	10	DCIE	
O=C(N1CCC(S(=O)(=O)F)CC1)C12CCCN1CCC2	1968217339	JSMPGAMKXXPNBC-UHFFFAOYSA-N	304.387	0.905	70	10	DCIE	
Cc1ncncc1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974402810	RAVYXCUXQYSLIK-UHFFFAOYSA-N	302.331	0.194	70	10	DCIE	
COc1nc(N2CC[S@@](=O)[C@H](C)C2)ncc1[B-](F)(F)F	2116130902	OSMGKJIPPONISW-JLPJYYFKSA-N	308.114	0.497	70	10	DCIE	
O=C(COCC(F)(F)F)N1CC(CCS(=O)(=O)F)C1	2134975865	SSGDIGFTORZZBB-UHFFFAOYSA-N	307.265	0.713	70	10	DCIE	
O=C(CSc1ccncc1)N1CC(CS(=O)(=O)F)C1	2134991208	VZSOQYXNFOFVFW-UHFFFAOYSA-N	304.368	0.931	70	10	DCIE	
CCc1nn(C)cc1C(=O)N1CCC(S(=O)(=O)F)CC1	2144733125	MTCOJNUSZKDDHY-UHFFFAOYSA-N	303.359	0.886	70	10	DCIE	
C[C@H]1OCCO[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)nc1	2166523990	HGBOCOGYNKQSIH-GMSGAONNSA-N	304.299	0.482	70	10	DCIE	
O=C(C[C@@H]1COCCO1)Nc1ccc(S(=O)(=O)F)nc1	2166530341	GIJIGVQGOLUVAS-SECBINFHSA-N	304.299	0.484	70	10	DCIE	
C#C[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	2169178847	DMPPCADOJCZNIL-SNVBAGLBSA-N	317.363	0.989	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2C[C@H]3OCCN(C)[C@@H]3C2)n1	2172770868	RAGRMUZPZOIAGE-VXGBXAGGSA-N	300.113	0.964	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1Cc1nc(C)nn1C	2182345446	ZAKCDBQZEPFUCL-UHFFFAOYSA-N	319.774	0.442	70	10	DCIE	
CC12CC(C1)[C@@H](C(=O)N1CC(CCS(=O)(=O)F)C1)CO2	2362910884	QQVGZVPVYLGNJJ-AKJDGMEZSA-N	305.371	0.949	70	10	DCIE	
O=S(=O)(F)c1ccccc1NS(=O)(=O)c1ncc[nH]1	312020087	YNXPPPOZZFBGCX-UHFFFAOYSA-N	305.312	0.869	70	10	DCIE	
CCc1nc(Br)cc(NCCS(N)(=O)=O)n1	160582617	GUKUYLAZHNZZOU-UHFFFAOYSA-N	309.189	0.502	70	10	DCIE	
Cc1cc2ncc3c(n2n1)CCN(C(=O)c1cccn(C)c1=O)C3	217711374	WAMJKZZLNINKPY-UHFFFAOYSA-N	323.356	0.935	70	10	DCIE	
CC[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC	1521437711	JZCIIEOVLBSTPJ-ZETCQYMHSA-N	306.315	0.602	70	10	DCIE	
CC1(O)CCN(C(=O)Cn2nnc(-c3ccsc3)n2)CC1	161285447	AAWPHVXKNRMEOL-UHFFFAOYSA-N	307.379	0.775	70	10	DCIE	
CCn1cnnc1[C@H]1CCCN(CC(=O)NCCC(=O)OC)C1	161290137	CVHOMWWOPJLDMR-LBPRGKRZSA-N	323.397	0.157	70	10	DCIE	
COc1cc(NC(=O)[C@H]2OCC[C@@H]2C)ccc1S(N)(=O)=O	160278743	IDYSQSMRVLNYLO-UFBFGSQYSA-N	314.363	0.706	70	10	DCIE	
COC(=O)Cn1ccc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)n1	160552970	RCFZFDLCGBETLU-SECBINFHSA-N	320.353	0.840	70	10	DCIE	
CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)CS(=O)(=O)F	1952737203	IWVNXMLPRMZOJV-ZETCQYMHSA-N	319.376	0.224	70	10	DCIE	
CCCNC(=O)CNc1ccc(S(=O)(=O)NC)c(N)c1	159576213	KSNOMRSBPYFAJJ-UHFFFAOYSA-N	300.384	0.115	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@]12COC[C@H]1C2	718094898	HLTGMSNNUYIUJT-PRHODGIISA-N	318.782	0.954	70	10	DCIE	
CC(=O)N[C@@H](C(=O)N1CC(CCS(=O)(=O)F)C1)C(C)C	2199694806	CNKMFTOCYOJYPW-LLVKDONJSA-N	308.375	0.295	70	10	DCIE	
CN1CCC[C@@H](CC(=O)N2CC(CCS(=O)(=O)F)C2)C1	2199684353	NDQUPMWMLUOEPV-NSHDSACASA-N	306.403	0.866	70	10	DCIE	
CC(C)(C)CCS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2256723038	VHXFZRSQVDPMJY-UHFFFAOYSA-N	302.393	0.241	70	10	DCIE	
CCC(CO)(CO)C(=O)Nc1ccccc1S(=O)(=O)F	2279301251	MRVNNAXTXGIUAP-UHFFFAOYSA-N	305.327	0.664	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CCN1CCNC1=O	112308795	NKQLVUSTOSWZAW-UHFFFAOYSA-N	306.775	0.398	70	10	DCIE	
CCNC(=O)CN(CC)S(=O)(=O)c1cc(N)cc(C)c1F	159487541	BRIQVGHMBDDPOW-UHFFFAOYSA-N	317.386	0.863	70	10	DCIE	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NC(C)(C)CO)c1C	159509214	QDDJLBCIVGFYIO-UHFFFAOYSA-N	318.395	0.857	70	10	DCIE	
CCOC(=O)C1CCN(C(=O)CN(C)C[C@](C)(O)CC)CC1	160832808	SBRPCLIQPTXEEX-MRXNPFEDSA-N	314.426	0.881	70	10	DCIE	
CCN[C@H](C)c1ccc(S(=O)(=O)NCCNC(N)=O)cc1	160938712	SMNXFFFUGIPLRN-SNVBAGLBSA-N	314.411	0.304	70	10	DCIE	
CCOc1c(F)cccc1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1	161297564	XIXHSTRUUYHJLP-CABZTGNLSA-N	310.325	0.987	70	10	DCIE	
CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(C)(O)CC1	161301815	LFUSQHNVEGXPEL-LLVKDONJSA-N	306.428	0.324	70	10	DCIE	
Cc1cc(C(N)=S)cc(N[C@H](C)C(=O)N2CCOCC2)n1	161372847	OKLNCFCEPSGUKO-SNVBAGLBSA-N	308.407	0.683	70	10	DCIE	
CN(C(=O)Nc1cc(O)cc(O)c1)[C@H]1CCS(=O)(=O)C1	217312179	MYHBZFNBTFZVNG-VIFPVBQESA-N	300.336	0.749	70	10	DCIE	
CO[C@H]1CN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)C[C@H]1OC	234763592	RFJMAMVVQSTXHK-AOOOYVTPSA-N	322.770	0.428	70	10	DCIE	
CC[C@@H](C(N)=O)n1nc([N+](=O)[O-])c(S(=O)(=O)Cl)c1C	306022347	UKRANZIIGYZVRJ-YFKPBYRVSA-N	310.719	0.464	70	10	DCIE	
COc1sccc1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923174220	PQTXZNDITMPMBB-UHFFFAOYSA-N	319.339	0.823	70	10	DCIE	
COC(C)(C)CS(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2028339058	CAWGUQSIYCUAPX-QMMMGPOBSA-N	303.377	0.115	70	10	DCIE	
O=S(=O)(Cl)CCCCN1C[C@H]2CCS(=O)(=O)[C@H]2C1	2028433638	VLFSUZFENMYDDM-ZJUUUORDSA-N	315.844	0.454	70	10	DCIE	
COc1cc(OC)c(-c2nc(S(=O)(=O)Cl)n[nH]2)cn1	2121001072	KVSZFICUBAVPHM-UHFFFAOYSA-N	304.715	0.811	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCN([C@@H]3CCOC3)CC2)nc1	2172778267	NKQCTRXVSDHHIK-LLVKDONJSA-N	301.101	0.442	70	10	DCIE	
Cc1cnc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)c([B-](F)(F)F)c1	2172795516	JLYSTAUBLAJSGG-AOOOYVTPSA-N	319.137	0.925	70	10	DCIE	
Cc1[nH]nc(C(=O)OC2CC(N(C)C)C2)c1S(=O)(=O)Cl	2183817311	SDZPGFALUQXMMS-UHFFFAOYSA-N	321.786	0.895	70	10	DCIE	
CC(=O)Nc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)s1	2284151453	QLPAAYGWKUHZAD-UHFFFAOYSA-N	321.355	0.335	70	10	DCIE	
CC12CC(C(=O)NC3CN(S(=O)(=O)F)C3)(C1)C(C)(C)O2	2284151623	SNYXVIKBHNKTNO-UHFFFAOYSA-N	306.359	0.349	70	10	DCIE	
O=S(=O)(Cl)CCOCCOCc1nnn2c1CCC2	2339002711	XDJOXWNJLWCHMC-UHFFFAOYSA-N	309.775	0.326	70	10	DCIE	
CCOC(=O)c1cnn(-c2ccncn2)c1S(=O)(=O)Cl	122458386	CMVWZYJINGDVJI-UHFFFAOYSA-N	316.726	0.767	70	10	DCIE	
COCCn1ncc(NCC[C@H]2CCNC2)c(Cl)c1=O	159411254	XRPCFEXOLBMPDP-SNVBAGLBSA-N	300.790	0.955	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)C(C)(C)C(N)=S	159778548	BOJUMLKVAVXPIP-SECBINFHSA-N	301.412	0.052	70	10	DCIE	
CC(C)N1CC[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1=O	160517264	BGADZDZTGNRAEW-NSHDSACASA-N	301.350	0.707	70	10	DCIE	
CCc1c(C(=O)N[C@@H]2CCC(=O)NC2=O)cnn1CC(C)C	160698884	ZYWFCHQGRQMQMQ-LLVKDONJSA-N	306.366	0.637	70	10	DCIE	
CCCNc1ncc(S(=O)(=O)N(C)[C@@H]2CCOC2)cn1	161003410	QAPCUUACFGENPD-SNVBAGLBSA-N	300.384	0.708	70	10	DCIE	
C#CCNC(=O)COc1ccc(F)cc1S(=O)(=O)Cl	215615037	YDRFUEQBKXIXMF-UHFFFAOYSA-N	305.714	0.881	70	10	DCIE	
CC(C)S(=O)(=O)CCn1cnc(S(=O)(=O)Cl)c1	232969546	ZLRFKGRRNRBNCL-UHFFFAOYSA-N	300.789	0.634	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CCOC[C@@H]2C)c1S(=O)(=O)Cl	305917192	BCNFAQORDCKVNP-POYBYMJQSA-N	321.786	0.800	70	10	DCIE	
CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCN(C)C1	1123915696	DSINXWJQFIYBHU-VIFPVBQESA-N	303.359	0.839	70	10	DCIE	
Cc1cncc(C(=O)NC2CCN(S(=O)(=O)F)CC2)c1	1974403081	UNKNLOSHULDPSZ-UHFFFAOYSA-N	301.343	0.799	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)c2cncc(F)c2)C1	2088468898	HLTMJMWSAVSSPW-MRVPVSSYSA-N	312.319	0.283	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2CC(NS(C)(=O)=O)C2)n1	2116126416	GKIQFEVDZISGJD-UHFFFAOYSA-N	308.114	0.182	70	10	DCIE	
Cc1[nH]nc(C(=O)OC[C@@H](C)N(C)C)c1S(=O)(=O)Cl	2119215933	QRJDQOMTTCVNFC-ZCFIWIBFSA-N	309.775	0.753	70	10	DCIE	
Cc1[nH]nc(C(=O)NC23COC(C)(C2)C3)c1S(=O)(=O)Cl	2156683354	RYTZHQGNEKJEPR-UHFFFAOYSA-N	319.770	0.697	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2C[C@H]3OCCO[C@@H]3C2)n1	2172759098	ZHTOZRGYQZNCNX-NXEZZACHSA-N	302.085	0.752	70	10	DCIE	
Cn1nnc2c1CCN(c1ncc([B-](F)(F)F)cc1F)C2	2172792965	YSVRDJCRYIYRQU-UHFFFAOYSA-N	300.048	0.966	70	10	DCIE	
Cc1ccc(F)c(C(=O)N2CCN(S(=O)(=O)F)CC2)n1	2279907030	CWNQNMJJBJUHME-UHFFFAOYSA-N	305.306	0.501	70	10	DCIE	
CC(C)[C@H](O)C(C)(C)C(=O)N1CCN(S(=O)(=O)F)CC1	2365776391	NCODQUDDNFAOJW-JTQLQIEISA-N	310.391	0.388	70	10	DCIE	
CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)F)[C@]2(CCOC2)C1	1955898184	SWSIBXISLKYPHP-BXKDBHETSA-N	324.374	0.959	70	10	DCIE	
Cc1c(CN=[N+]=[N-])c(C)c(B(O)O)c(C)c1OS(=O)(=O)F	1887551668	WTHGMHGFQNLHPV-UHFFFAOYSA-N	317.107	0.695	70	10	DCIE	
COCCN(CC(C)C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347893661	UQMXHRITACEZHS-UHFFFAOYSA-N	321.374	0.922	70	10	DCIE	
C[C@@H](CN(C)C[C@@H](C)O)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1498384934	BMPYAFCGEFEGSX-DTWKUNHWSA-N	321.374	0.104	70	10	DCIE	
CC[C@H](C)C(=O)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1757917159	ATQRNBZLGVERBW-QMMMGPOBSA-N	319.358	0.565	70	10	DCIE	
CN1C[C@H](NS(=O)(=O)Cc2ccc(Cl)nc2)CCC1=O	160083168	XPINULUUYFHADJ-SNVBAGLBSA-N	317.798	0.775	70	10	DCIE	
CC[C@@H](C)N(C)CCNS(=O)(=O)c1cn(CC)nc1N	218336367	HLWGQFCEOBAWOD-SNVBAGLBSA-N	303.432	0.494	70	10	DCIE	
CC(C)CN1C[C@H](C(=O)N2CC(S(=O)(=O)F)C2)CC1=O	1968215428	FZUWMPAEBGYEAO-SECBINFHSA-N	306.359	0.001	70	10	DCIE	
Cc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)c(O)n1	2144732325	DRNYUBHYJQEGTF-SECBINFHSA-N	302.327	1.000	70	10	DCIE	
COC(=O)CCS(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	160588564	KZEOOKMNFQYMNT-DGCLKSJQSA-N	305.396	0.506	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc(CN)s2)CCOC1	160674895	VMWRZGITYPYAEQ-LLVKDONJSA-N	306.409	0.291	70	10	DCIE	
O=C(c1cc(Br)c[nH]1)N1CC(S(=O)(=O)F)C1	1992832433	UIXWPIDNHUGLFY-UHFFFAOYSA-N	311.132	0.901	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2[C@H]3COCC[C@H]32)c1S(=O)(=O)Cl	2150119921	BALVXLMKFNVMDW-GJMOJQLCSA-N	319.770	0.410	70	10	DCIE	
COCCN1CC[C@@H](N(C)c2ncncc2[B-](F)(F)F)C1	2172776814	USXMAGCPPBJWOA-SNVBAGLBSA-N	303.117	0.688	70	10	DCIE	
CC[C@]1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CCCO1	2169028154	RPKSFQMOPQQCRZ-GFCCVEGCSA-N	308.375	0.741	70	10	DCIE	
COCCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1C[C@@H]1F	2188361892	FLZJATRIJHMGFI-DTWKUNHWSA-N	324.761	0.902	70	10	DCIE	
CCn1nnnc1Cn1cc(S(=O)(=O)Cl)nc1COC	2182342425	AVCTVCVOUNVCPR-UHFFFAOYSA-N	320.762	0.012	70	10	DCIE	
CN1CC(=O)N(CC(=O)N2CCC[C@@H]([B-](F)(F)F)C2)C1=O	2190462105	UBDLBFZLVSOERF-MRVPVSSYSA-N	306.073	0.720	70	10	DCIE	
CC(F)(F)[C@H]1C[C@@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	2108153480	IXFGCOJDTXIZEW-YUMQZZPRSA-N	300.302	0.540	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1COCCN1C	2267889788	PDTQIBWTTBIISA-SECBINFHSA-N	307.803	0.704	70	10	DCIE	
C#CCCN(CC)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1317486810	BWWVSLQQAXBDHN-UHFFFAOYSA-N	315.370	0.748	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC1C[C@@H]2C[C@H]2C1	698102176	FEXBNKGJQCOLJM-HTQZYQBOSA-N	304.755	0.923	70	10	DCIE	
COCCCN[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1265827855	ZMAHRFAILLVICU-VIFPVBQESA-N	321.374	0.417	70	10	DCIE	
NC(=O)[C@H]1CC[C@@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C1	1528688509	LNOKZXSFGQJSOV-WCBMZHEXSA-N	314.338	0.729	70	10	DCIE	
CCOCCN(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1492414331	IIOMGMFLVUVPSI-UHFFFAOYSA-N	321.374	0.371	70	10	DCIE	
C[C@@H]1CCCN(S(=O)(=O)NC[C@H](O)COCC2CC2)C1	160708819	VALSVJUAQIMFHD-YPMHNXCESA-N	306.428	0.340	70	10	DCIE	
CCOC(=O)c1nnn([C@H](C)C(=O)NC(N)=O)c1C(F)F	159588417	UUNOGGUUKCRVOU-SCSAIBSYSA-N	305.241	0.148	70	10	DCIE	
CCn1c(-c2nnn(C(C)(C)C)n2)nnc1S(=O)(=O)Cl	700346934	NDCSBLQURTYRGC-UHFFFAOYSA-N	319.778	0.634	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@]23COC[C@H]2C3)c1S(=O)(=O)Cl	718100540	RAUDHQGPLVUTBB-LDWIPMOCSA-N	305.743	0.164	70	10	DCIE	
COc1nc(N2C[C@@H]3CN(C)C[C@@H]3C2)ncc1[B-](F)(F)F	2172769803	CGJBWSWYQVTBCB-DTORHVGOSA-N	301.101	0.537	70	10	DCIE	
C[C@H](Oc1ccc(F)cc1S(=O)(=O)F)C(=O)NC(N)=O	2191413907	LGICKOPCQNIXSV-YFKPBYRVSA-N	308.262	0.446	70	10	DCIE	
CCCN(CCCS(=O)(=O)Cl)[C@H]1CCS(=O)(=O)C1	2082080134	WPPUUQNMAZYVHY-JTQLQIEISA-N	317.860	0.844	70	10	DCIE	
O=S(=O)(F)c1ccc(NS(=O)(=O)c2cncs2)cn1	2110213671	BCOQBYLCVXQJIB-UHFFFAOYSA-N	323.352	0.997	70	10	DCIE	
CN1CCN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)[C@@H]2C[C@H]21	2112074675	LEZXKJPRBSHGIH-NXEZZACHSA-N	303.771	0.471	70	10	DCIE	
O=C(Nc1ccc(S(=O)(=O)F)nc1)C1COCCOC1	2203649733	NVBXFCQGVXEAMX-UHFFFAOYSA-N	304.299	0.341	70	10	DCIE	
CCc1[nH]nc(C(=O)NCC[C@@H]2CCO2)c1S(=O)(=O)Cl	2296050909	NECJBFKFCJNRGQ-SSDOTTSWSA-N	321.786	0.808	70	10	DCIE	
O=C(NCc1ccc(S(=O)(=O)Cl)cc1)c1c[nH]nn1	159012392	RMCJAXLWTYUHAN-UHFFFAOYSA-N	300.727	0.662	70	10	DCIE	
CN(C[C@@H](O)COc1ccccc1C(N)=S)[C@@H]1CCOC1	159502728	CXZWDXUUCNFILY-VXGBXAGGSA-N	310.419	0.781	70	10	DCIE	
C[C@@H]1CCCN(S(=O)(=O)N(CCO)Cc2cccnc2)C1	161219456	ZGLYHYFUICDYNX-CYBMUJFWSA-N	313.423	0.853	70	10	DCIE	
CN(C)C[C@@H](Cc1ccccc1)NC(=O)C1(NC(N)=O)CC1	161496833	AAWXTDHBHGFNTO-CYBMUJFWSA-N	304.394	0.476	70	10	DCIE	
Cc1cc(OCC(N)=O)c([N+](=O)[O-])cc1S(=O)(=O)Cl	215668951	RBRLYMMMKXFFRN-UHFFFAOYSA-N	308.699	0.695	70	10	DCIE	
CN(CCCNS(=O)(=O)CCCO)Cc1ccccc1	217720443	ZXGUFEPFMLQBHF-UHFFFAOYSA-N	300.424	0.810	70	10	DCIE	
CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1CO	217949054	GBUJFXDOTUALCS-UTUOFQBUSA-N	304.412	0.078	70	10	DCIE	
CN(C)CCCCn1cc(S(=O)(=O)Cl)c(O)nc1=O	690855531	PUCCDRHREQDGBJ-UHFFFAOYSA-N	309.775	0.218	70	10	DCIE	
CCC(=O)N(C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1572229536	NUKSTMNVHVQVBP-QMMMGPOBSA-N	319.358	0.660	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)[nH]1	1923155872	GEEBEJGWZAPDGJ-DJLDLDEBSA-N	301.343	0.875	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)C2(Cl)CC2)CC1	1941418773	DVASFIHSPWFFPP-UHFFFAOYSA-N	305.780	0.809	70	10	DCIE	
CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)F)[C@@]2(CCOC2)C1	1955898185	SWSIBXISLKYPHP-CABZTGNLSA-N	324.374	0.959	70	10	DCIE	
O=C(c1ccnn1C1CC1)N1CCN(S(=O)(=O)F)CC1	1974014404	IOZQVQUSCYHEPG-UHFFFAOYSA-N	302.331	0.190	70	10	DCIE	
Cc1ccc(C(=O)NC2CCN(S(=O)(=O)F)CC2)n1C	1974402811	RAWQOBIRUMVAJN-UHFFFAOYSA-N	303.359	0.742	70	10	DCIE	
O=S(=O)(Cl)C[C@@H](COCCN1CCOCC1)C1CC1	2119258176	ULCVYHUOTWRBQY-GFCCVEGCSA-N	311.831	0.930	70	10	DCIE	
CCNC(=O)COc1ccc(S(=O)(=O)F)cc1C(=O)O	2191434382	JNUJSQSAVPYVGW-UHFFFAOYSA-N	305.283	0.558	70	10	DCIE	
O=C(Cc1ccc(F)cc1)N[C@@H]1CCN(S(=O)(=O)F)C1	2287065511	NMUGLASXVQGWAD-LLVKDONJSA-N	304.318	0.773	70	10	DCIE	
C[S@](=O)CCNC(=O)c1ccc(S(=O)(=O)Cl)cc1	135261098	WZEQKPHSIHKRLK-QGZVFWFLSA-N	309.796	0.722	70	10	DCIE	
COCCn1ncc(N2C[C@H](C)C[C@@H](N)C2)c(Cl)c1=O	159800542	SISNEYCWAKENGJ-NXEZZACHSA-N	300.790	0.717	70	10	DCIE	
CCCC[C@H](NC(N)=O)C(=O)NC[C@H]1CN(C2CC2)CCO1	160376747	FAHXYIZROLYLNR-STQMWFEESA-N	312.414	0.193	70	10	DCIE	
Cc1ccnc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)n1	692552721	DSJBTJJJLLYUTA-UHFFFAOYSA-N	317.714	0.866	70	10	DCIE	
COC[C@H](Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1)OC	694624007	UIYJBCQMRGHDIH-LURJTMIESA-N	313.719	0.380	70	10	DCIE	
O=S(=O)(Cl)C[C@H]1CCO[C@]2(CCCS(=O)(=O)C2)C1	958530033	AGPSVULUOGFACT-VHSXEESVSA-N	316.828	0.929	70	10	DCIE	
Cc1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n2ncnc2n1	1587094249	QJTNDPUDXSPOPS-UHFFFAOYSA-N	324.297	0.671	70	10	DCIE	
C=CCNC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1731674290	XHHSIWUYXRLXFL-JTQLQIEISA-N	315.370	0.911	70	10	DCIE	
Cc1c(B(O)O)cc(S(=O)(=O)F)cc1C(=O)OC(C)(C)C	1887551836	JLQFYHRXXFTOOX-UHFFFAOYSA-N	318.131	0.288	70	10	DCIE	
O=C(N[C@@H]1C[C@@]12CCOC2)c1cc(S(=O)(=O)Cl)c[nH]1	1896356487	BSUADSFKIGUJKJ-MWLCHTKSSA-N	304.755	0.851	70	10	DCIE	
O=C(c1cn2c(n1)CCCC2)N1CC[C@H](S(=O)(=O)F)C1	1968236483	WSIZPCNWVOQVIC-VIFPVBQESA-N	301.343	0.733	70	10	DCIE	
O=C(CC1CC(F)(F)C1)N1CCN(S(=O)(=O)F)CC1	1974015921	ZLXJCWKDKWLLBY-UHFFFAOYSA-N	300.302	0.780	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1c(F)cncc1F	1974055164	NOKMYISJEMORSV-UHFFFAOYSA-N	309.269	0.236	70	10	DCIE	
O=S(=O)(Cl)CCCCN1CC[C@H]2CS(=O)(=O)C[C@H]21	2033839401	UTAKVHSTIGQWPE-VHSXEESVSA-N	315.844	0.454	70	10	DCIE	
CN1[C@@H](COc2cncc([B-](F)(F)F)c2)CCS1(=O)=O	2088671686	TXJZABDXTFLBRU-SECBINFHSA-N	309.098	0.549	70	10	DCIE	
O=S(=O)(F)N1CCN(S(=O)(=O)[C@H]2CC23CCC3)CC1	2107406837	FEEFXNVFKNWLOZ-VIFPVBQESA-N	312.388	0.091	70	10	DCIE	
COC[C@@H]1C[C@H]1CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2133426819	FCXRZTGOWXASSM-YUMQZZPRSA-N	306.771	0.955	70	10	DCIE	
Cc1nc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)ncc1[B-](F)(F)F	2172758888	WNRKPHQGGABXBX-HTQZYQBOSA-N	322.141	0.851	70	10	DCIE	
O=C(N1CC[C@H](S(=O)(=O)F)C1)[C@@]12CCCCN1CCC2	2186093325	YDAAHQBJJVMEQH-AAEUAGOBSA-N	304.387	0.905	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)Cc2cnn(C)n2)n1	2280491066	QBHQUDUQTQOJOI-UHFFFAOYSA-N	300.073	0.910	70	10	DCIE	
COCCn1c([C@@H]2C[C@@H]3CC[C@H]2O3)nnc1S(=O)(=O)Cl	2353900873	BIDASVXCQOEMBD-DJLDLDEBSA-N	321.786	0.887	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1C[C@@H]2CO[C@H]1C2	2359553943	OWNOSAHNPJCEQQ-ARENWVFISA-N	318.782	0.860	70	10	DCIE	
C[C@H](C(=O)N1CCN(S(=O)(=O)F)CC1)[C@H]1CCCCO1	2163667825	QJRXPFMXRRDPTR-WDEREUQCSA-N	308.375	0.550	70	10	DCIE	
CNCc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1Cl	218739567	MOVYLGPUMOECOP-UHFFFAOYSA-N	317.842	0.996	70	10	DCIE	
CC(C)c1nc(S(=O)(=O)Cl)cn1CC(=O)NCCC#N	215711184	FHAAPWDJZVXRLX-UHFFFAOYSA-N	318.786	0.964	70	10	DCIE	
CS(=O)(=O)CCCN1CCOC[C@H]1C[C@H](O)c1ccco1	159513932	JGZJFNVEARROIP-OLZOCXBDSA-N	317.407	0.839	70	10	DCIE	
CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](S(=O)(=O)F)C2)C1	1968234350	AVEBXNDTQYXXCR-MNOVXSKESA-N	306.359	0.145	70	10	DCIE	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cl)[C@@H](C#N)C1	1953573297	ISHYMAGDOQCTRU-QMMMGPOBSA-N	309.775	0.915	70	10	DCIE	
CC[C@@H]1OCC[C@@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394712	NYJPVXQFUQTHCT-QWRGUYRKSA-N	308.375	0.596	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCO[C@H]([C@@H]3CCCO3)C2)nc1	2172774987	VOEIPQZYWUYVLL-QWRGUYRKSA-N	302.085	0.915	70	10	DCIE	
CCC12COC(C(=O)N[C@H]3CCN(S(=O)(=O)F)C3)(C1)C2	2287078493	HZBALPACXSYQFI-GCVQQVDUSA-N	306.359	0.350	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CC[C@@H]1C(F)(F)F	2287077188	CSICFCRKYQDCPJ-CSMHCCOUSA-N	318.292	0.980	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	2287074672	IKIYSTCDKJKDDR-NEJQNHLGSA-N	302.371	0.683	70	10	DCIE	
CCCOC(=O)[C@@H](C)N1CCN(c2nccc(OC)n2)CC1	159527688	LMOBEFJULMBVRD-GFCCVEGCSA-N	308.382	0.949	70	10	DCIE	
CC(C)(C)CC(=O)NCC(=O)N1CCS(=O)(=O)C(C)(C)C1	160039191	BRASYBYZBSONHB-UHFFFAOYSA-N	318.439	0.574	70	10	DCIE	
C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(CO)CC1	160343203	OAAYKPBTJDROOY-SNVBAGLBSA-N	315.366	0.877	70	10	DCIE	
C[C@@H](Cn1cncn1)NC(=O)c1csc(S(C)(=O)=O)c1	161502166	INAWNCHQFUFITQ-QMMMGPOBSA-N	314.392	0.562	70	10	DCIE	
CCN(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	163310068	FXVSZCHRIRAJIG-UHFFFAOYSA-N	324.399	0.575	70	10	DCIE	
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CO1	401463442	KKVXQRWIAHWOFX-BDAKNGLRSA-N	323.367	0.801	70	10	DCIE	
O=C1NC[C@@H](Cn2cc(S(=O)(=O)Cl)nc2C2CC2)O1	704281596	YTHHUXOMZOOPBZ-ZETCQYMHSA-N	305.743	0.796	70	10	DCIE	
CCCC(=O)N[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1533614546	KHJATCRXUHMRTG-MRVPVSSYSA-N	319.358	0.708	70	10	DCIE	
C[C@@H]1CCN(S(=O)(=O)F)[C@H](C)[C@@H]1NC(=O)C(F)(F)F	1954656223	MTRQBONWIYCIMB-FSDSQADBSA-N	306.281	0.978	70	10	DCIE	
C[C@@H]1C[C@@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)CCO1	1974394663	MYEWSBSJRUBBKD-ZJUUUORDSA-N	308.375	0.596	70	10	DCIE	
CSCCS(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2053723113	SSRGMWXFCWFSIL-UHFFFAOYSA-N	314.385	0.845	70	10	DCIE	
C[C@H]1CN(c2ncncc2[B-](F)(F)F)C[C@H](C)S1(=O)=O	2116147835	HZHMRXWADONTBA-YUMQZZPRSA-N	308.114	0.543	70	10	DCIE	
C[C@@H](C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F)C(F)(F)F	2123140489	AFPRPDNZGYEQKG-BYPYZUCNSA-N	303.237	0.637	70	10	DCIE	
O=S1(=O)CCC[C@H]2CN(c3ncc([B-](F)(F)F)cn3)C[C@H]21	2172783446	FMFSSFRHPRLZHX-WCBMZHEXSA-N	320.125	0.544	70	10	DCIE	
COCC(COC)CC(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2187436377	HQBKFKGPMRVQRU-LLVKDONJSA-N	311.375	0.576	70	10	DCIE	
C[C@@H]1CCC[C@@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)O1	2235199215	QHIJCWOQFDIYTF-SFYZADRCSA-N	305.331	0.396	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cc(Cl)ns1	2258993608	PNGPBWQOKHTMPW-YFKPBYRVSA-N	313.763	0.815	70	10	DCIE	
CCOc1ccc(N)cc1S(=O)(=O)N1CCN(C)[C@@H](C)C1	216751640	PGHDTCIVCAAVHI-NSHDSACASA-N	313.423	0.992	70	10	DCIE	
COCCN[C@H](C)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1507124347	UGYCLPHFOLIGBZ-SECBINFHSA-N	321.374	0.369	70	10	DCIE	
CCCNC(=O)CNC(=O)NCCCc1nc(C(C)C)no1	161172028	PMILRBRDIHSHFK-UHFFFAOYSA-N	311.386	0.951	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)CN1CCOCC1	160078530	NCEZVNPUPOWTEK-JTQLQIEISA-N	324.381	0.321	70	10	DCIE	
CN(C)C(=O)[C@H]1CSCN1C(=O)c1cnc2c(c1)ncn2C	160311389	ZGKITPWFQSULNX-LLVKDONJSA-N	319.390	0.572	70	10	DCIE	
Cn1ccnc1CN1CCN(c2nnnn2-c2ccccc2)CC1	160769457	YNVFFFOOOFHBEG-UHFFFAOYSA-N	324.392	0.718	70	10	DCIE	
COCC(C)(C)NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	167985778	CLHWPUDZEPPAKC-UHFFFAOYSA-N	309.775	0.800	70	10	DCIE	
COCCN1CCC[C@@H]1CNC(=O)N1CCC([C@@H](C)O)CC1	159553109	LSULASOSTQDGOL-UKRRQHHQSA-N	313.442	0.900	70	10	DCIE	
CCNCc1c(C)n[nH]c1S(=O)(=O)NCCCN(C)C	217447243	INQAGSSTILEPOZ-UHFFFAOYSA-N	303.432	0.058	70	10	DCIE	
COCC[C@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O	160307663	HMEFEKDIYPEDHA-VIFPVBQESA-N	302.352	0.098	70	10	DCIE	
COC(C)(C)CS(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2028339057	CAWGUQSIYCUAPX-MRVPVSSYSA-N	303.377	0.115	70	10	DCIE	
O[C@H](CN1CCOCC1)CN1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2194168856	AGESCTLQVBXECK-YNEHKIRRSA-N	307.145	0.993	70	10	DCIE	
Cn1nnc2cc(S(=O)(=O)F)cc(S(=O)(=O)Cl)c21	2047799985	ONTPPIMNUCSWSP-UHFFFAOYSA-N	313.719	0.554	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)CC2CC(F)C2)C1	2078996282	DEHNHMVVILONHC-UHFFFAOYSA-N	303.352	0.295	70	10	DCIE	
O=C([C@@H]1OCC[C@H]1C(F)(F)F)N1CC[C@H](S(=O)(=O)F)C1	2240536292	PCZYXNCHVTUERY-XLPZGREQSA-N	319.276	0.854	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1C[C@@H]2CSC[C@@H](C2)C1	2284142208	MNRPSXXWQZECRE-MYJAWHEDSA-N	322.427	0.780	70	10	DCIE	
Cn1c(=O)[nH]c(=O)c2nc(-c3snnc3C(C)(C)C)[nH]c21	159815137	VQDCNVBJYIWROM-UHFFFAOYSA-N	306.351	0.766	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1c(F)cc(CO)cc1F	160073085	RJAOFQNWTNLSLR-LBPRGKRZSA-N	300.305	0.798	70	10	DCIE	
CO[C@@]1(CNCc2ccc(S(=O)(=O)N(C)C)o2)CCOC1	160082139	CIENJSDTXKRRAF-CYBMUJFWSA-N	318.395	0.425	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)Cc2ccccc2CN)CCOC1	160169871	RZTOCZFAYNJRRO-AWEZNQCLSA-N	314.407	0.370	70	10	DCIE	
COc1ccc(C(=O)NCC(=O)N[C@H](CO)CC(C)C)cc1	160971377	RXFRAZXMIVQJSH-ZDUSSCGKSA-N	308.378	0.948	70	10	DCIE	
O=C(N[C@H]1CCc2ncnn2C1)N1CC[C@@H](N2CCCC2)C1	161128940	LOVIYHCCRPNTHE-QWHCGFSZSA-N	304.398	0.473	70	10	DCIE	
NS(=O)(=O)c1cccc(SCCS(=O)(=O)Cl)n1	711692869	AGCMAYATBNZQGU-UHFFFAOYSA-N	316.813	0.390	70	10	DCIE	
C[C@H](CC(N)=O)NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1533122720	KBVWINWGYPESTF-MRVPVSSYSA-N	302.327	0.267	70	10	DCIE	
CCc1nn(C)cc1C(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2144732988	LGFZICGFLREBCH-SECBINFHSA-N	303.359	0.886	70	10	DCIE	
Cc1cc(OCCOCC(N)=O)ccc1S(=O)(=O)Cl	2232236771	YDMSHUZPHZJYKH-UHFFFAOYSA-N	307.755	0.803	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccc2c(c1)COC2	2284141643	JCBFGLWLFRYVEE-UHFFFAOYSA-N	300.311	0.345	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cccc(F)c1F	2287076477	SOMZFVBUNZTRFA-SSDOTTSWSA-N	308.281	0.983	70	10	DCIE	
COC1(c2noc([C@H](N)CCS(C)(=O)=O)n2)CCOCC1	159425013	SGWSZJRBACSZHU-SECBINFHSA-N	319.383	0.156	70	10	DCIE	
Nc1ccc(S(=O)(=O)NCCNC(=O)C2CC2)cc1F	160651618	SFTNZGWPJDUXSO-UHFFFAOYSA-N	301.343	0.212	70	10	DCIE	
O=C(NCCN1C(=O)c2ccccc2C1=O)Nc1ncccn1	217282192	XGWIPEHCWKVPBS-UHFFFAOYSA-N	311.301	0.894	70	10	DCIE	
COc1ccc(CCNC(=O)N2CCN(CCN)CC2)cc1	217510433	RUQCLGJFCVMIKJ-UHFFFAOYSA-N	306.410	0.524	70	10	DCIE	
O=C(COc1ccccc1)NC[C@@H](O)Cn1ccccc1=O	218414413	VRCUEQYUTXGADU-CYBMUJFWSA-N	302.330	0.404	70	10	DCIE	
C#CCONS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1	386591101	DIUGUMWADIDSQV-UHFFFAOYSA-N	309.752	0.457	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC[C@@H]1CC1(F)F	691219656	HKPNMYPMQQFYFE-RXMQYKEDSA-N	314.697	0.922	70	10	DCIE	
O=C(N[C@@H]1[C@@H]2C[C@@H]3[C@@H]1OC[C@@H]3C2)c1cc(S(=O)(=O)F)c[nH]1	1350017219	XHWYONKXYWFSHE-PSYIXQSTSA-N	314.338	0.826	70	10	DCIE	
O=S(=O)(Cl)CCCCN1CC[C@@H]2CS(=O)(=O)C[C@H]21	2033839399	UTAKVHSTIGQWPE-NXEZZACHSA-N	315.844	0.454	70	10	DCIE	
C[C@@H](CCCN1CCS(=O)(=O)CCO1)S(=O)(=O)Cl	2037932893	KYUWWYXYKFJRDI-VIFPVBQESA-N	319.832	0.386	70	10	DCIE	
CCS(=O)(=O)Cc1nnc(S(=O)(=O)Cl)n1C(C)C	2069109914	UGBKZPVFLUJYEQ-UHFFFAOYSA-N	315.804	0.721	70	10	DCIE	
C[C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C[C@@H](C)O1	2163664774	GEZZZAPIPISXHW-JGPRNRPPSA-N	308.375	0.549	70	10	DCIE	
Cc1nc(N(C)C[C@H]2CCCS2(=O)=O)ncc1[B-](F)(F)F	2172767260	ROZOEHPQYQWXEQ-SECBINFHSA-N	322.141	0.853	70	10	DCIE	
CCS(=O)(=O)NC1CN(c2cc(C)c([B-](F)(F)F)cn2)C1	2172774249	MJPPVNGFXSKTNK-UHFFFAOYSA-N	322.141	0.572	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1Cc1n[nH]c(C)n1	2182344033	NONYLTUOFSCLOI-UHFFFAOYSA-N	319.774	0.822	70	10	DCIE	
C[C@H](OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)F)CC1	2192191528	YUDBAIVUVPHABC-VIFPVBQESA-N	310.391	0.985	70	10	DCIE	
COCCOCCOCCOCCCS(=O)(=O)Cl	125985623	LQLDMRKMQZDHJV-UHFFFAOYSA-N	304.792	0.641	70	10	DCIE	
CC[C@H]1CN(c2cnn(CCO)c(=O)c2Cl)CC[C@@H]1N	159845075	YQLPRBUHKRNGJM-UWVGGRQHSA-N	300.790	0.453	70	10	DCIE	
CO[C@@]1(CNC(=O)[C@H](C(N)=S)c2ccccc2)CCOC1	160494966	ANFKMDQSIIBOAK-SWLSCSKDSA-N	308.403	0.978	70	10	DCIE	
CN[C@@H]1CCN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C1	160695020	RBLJLUFEISTTHF-BWBHSNQOSA-N	322.409	0.307	70	10	DCIE	
CCc1c(C(=O)N[C@H]2CCC(=O)NC2=O)cnn1CC(C)C	160698990	ZYWFCHQGRQMQMQ-NSHDSACASA-N	306.366	0.637	70	10	DCIE	
CCN(CCO)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	217287045	GCEDIJWHLCXVMY-AWEZNQCLSA-N	305.378	0.811	70	10	DCIE	
CS(=O)(=O)CC[C@@H](N)C(=O)N1CCC[C@H]2CCCC[C@H]21	218011137	SZYKGLSDBUXSJG-JHJVBQTASA-N	302.440	0.930	70	10	DCIE	
O=S(=O)(Cl)CCCCN1C[C@H]2C[C@H]1CS2(=O)=O	689012359	WMIJRNLHEWHGDY-DTWKUNHWSA-N	301.817	0.207	70	10	DCIE	
Cn1cnc(CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)c1	1134834726	KNZKXABVIXSNDU-UHFFFAOYSA-N	311.338	0.937	70	10	DCIE	
CC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H](O)C(F)F	1347339051	BSXDNZGGNBPTPL-POYBYMJQSA-N	314.285	0.807	70	10	DCIE	
CC#CCN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1661349417	XIQZYTVTBYGCCR-JTQLQIEISA-N	313.354	0.500	70	10	DCIE	
CCN(C1COC1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1915680976	VBXCOYVUDHVYGI-UHFFFAOYSA-N	323.367	0.754	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CC12CCOCC2	1974055372	QCXFKLOBRZOAKD-JTQLQIEISA-N	306.359	0.065	70	10	DCIE	
O=S(=O)(NCC1CN(S(=O)(=O)F)C1)c1cccs1	2045937394	SMITWBMNTZURQR-UHFFFAOYSA-N	314.385	0.173	70	10	DCIE	
O=S(=O)(N1CC[C@@H](O)C1)N1CCC[C@@H]([B-](F)(F)F)C1	2070264565	QCOUKNJIFLXPMY-RKDXNWHRSA-N	301.119	0.611	70	10	DCIE	
C[C@H]1C[C@@H]1CS(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2112723936	BRCORFMQXMLOJY-DTWKUNHWSA-N	314.404	0.241	70	10	DCIE	
CC(C)(C#N)CS(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2134974389	FCZIWISQWQEVMB-UHFFFAOYSA-N	312.388	0.487	70	10	DCIE	
C[C@@H]1C[C@H](CCn2cc(S(=O)(=O)Cl)c(O)nc2=O)CO1	2159303149	VLTBEENYWNXUDX-SFYZADRCSA-N	322.770	0.692	70	10	DCIE	
CO[C@H]1COC[C@@H]1NC(=O)c1cccc(S(=O)(=O)Cl)c1	2177286529	ZJKZJCAPOXQIJA-QWRGUYRKSA-N	319.766	0.758	70	10	DCIE	
C[C@@H]1OCC[C@H]1CC(=O)NC1CCN(S(=O)(=O)F)CC1	2196351512	DHRFUMMGNCUAGJ-UWVGGRQHSA-N	308.375	0.596	70	10	DCIE	
CS(=O)(=O)CCCOCCOCCS(=O)(=O)Cl	2253043802	UFRQWNNDZAUFOU-UHFFFAOYSA-N	308.805	0.023	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cccc([N+](=O)[O-])c1	2284152723	BQMRLBRSTSMFMV-UHFFFAOYSA-N	303.271	0.223	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1C[C@H]2COC[C@H](C2)C1	2284154027	UUIACRSVWHWSAL-ILWJIGKKSA-N	306.359	0.064	70	10	DCIE	
Cc1cccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1	2287091293	WFCUZVROJZXFRL-JTQLQIEISA-N	322.383	0.562	70	10	DCIE	
O=S1(=O)CC[C@H](S(=O)(=O)N2CC[C@H]([B-](F)(F)F)C2)C1	2319679402	GLJNAHHOKZUJMR-YUMQZZPRSA-N	320.143	0.427	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)c1ccc(F)cc1F	124133831	WBEOFJDRMCOWLN-UHFFFAOYSA-N	319.738	0.812	70	10	DCIE	
CN(C[C@@H]1CN(S(=O)(=O)F)CCO1)C(=O)OC(C)(C)C	1954654858	BXSBIJWFUVBBPT-SECBINFHSA-N	312.363	0.768	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CCOC(F)(F)F	91294740	UBXYGPVJDJRXKB-UHFFFAOYSA-N	322.648	0.413	70	10	DCIE	
O=C(CCn1cnnn1)Nc1ccc(S(=O)(=O)F)c(F)c1	1586867575	PNTNXUCDLUZUOF-UHFFFAOYSA-N	317.277	0.499	70	10	DCIE	
CN(C[C@H](O)COc1ccc(C(N)=S)cc1)[C@@H]1CCOC1	159500775	IAXNURJZXVBCGT-OLZOCXBDSA-N	310.419	0.781	70	10	DCIE	
Cn1cnc2cc(C(=O)N3CCC[C@@H]3C(=O)NC3CC3)cnc21	159701587	OLQJRBUGOXNAEX-CYBMUJFWSA-N	313.361	0.852	70	10	DCIE	
CO[C@H]1CN(C(=O)c2cc(S(=O)(=O)Cl)cn2C)C[C@H]1F	2146485921	ZHDGPFDSPWECNX-SCZZXKLOSA-N	324.761	0.762	70	10	DCIE	
Cc1nc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)ccc1[B-](F)(F)F	2172781620	HEYYQNOHGJNJTO-UWVGGRQHSA-N	319.137	0.925	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CC(N3CCOCC3)C2)n1	2172773344	ZUAFJHCJWMUOSB-UHFFFAOYSA-N	301.101	0.360	70	10	DCIE	
Cc1ccc(OC[C@H]2CCS(=O)(=O)N2)c(S(=O)(=O)F)c1	2191424713	VOWXWVVGMAIHCW-SECBINFHSA-N	323.367	0.724	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)C[C@H]1CCCCO1	2301125642	DZJAXPWUSSIHDG-MRVPVSSYSA-N	305.805	0.044	70	10	DCIE	
CC(C)(C)OC(=O)N1C[C@@H]2OCCN(S(=O)(=O)F)[C@H]2C1	1954656881	SJLPGFYPQVLAFA-IUCAKERBSA-N	310.347	0.521	70	10	DCIE	
O=C(C[S@](=O)Cc1ccc(S(=O)(=O)F)cc1)N1CCC1	857219598	KTRGENPESALUMX-LJQANCHMSA-N	319.379	0.826	70	10	DCIE	
C[C@H](O)CN[C@@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1662974612	LZMNJDHYHSJSLR-IUCAKERBSA-N	321.374	0.152	70	10	DCIE	
CS(=O)(=O)N1CCN(C(=O)CC[C@H]2CCC[C@H](N)C2)CC1	161022294	BMTDWBXIBKNFRY-OLZOCXBDSA-N	317.455	0.388	70	10	DCIE	
CN(C)CCn1ncc(NCC[C@H]2CCNC2)c(Cl)c1=O	159410115	BXCNZBNRTDAIEP-LLVKDONJSA-N	313.833	0.870	70	10	DCIE	
Cc1sc(CN)cc1S(=O)(=O)NCCN1CCOCC1	217296361	VSKXVZRYDRJZIU-UHFFFAOYSA-N	319.452	0.126	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1ccc(F)c(N)c1F	218122905	QTTLQWDRBAAIQG-UHFFFAOYSA-N	307.322	0.304	70	10	DCIE	
COCCn1c(CC(C)(C)OC)nnc1S(=O)(=O)Cl	230953523	JFDKNNKABLXYGS-UHFFFAOYSA-N	311.791	0.820	70	10	DCIE	
COc1ccncc1S(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2144733151	MYJBLWKCMOCRMX-MRVPVSSYSA-N	324.355	0.153	70	10	DCIE	
CCCn1c([C@H]2CCS2(=O)=O)nnc1S(=O)(=O)Cl	2033313936	TXNPLEPMBJKTDI-ZCFIWIBFSA-N	313.788	0.475	70	10	DCIE	
CO[C@H]1CS(=O)(=O)C[C@H]1N(C)c1ccncc1[B-](F)(F)F	2172782624	UTIUNCXSRZIPIY-MNOVXSKESA-N	323.125	0.384	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1[C@H]1CCCNC1=O	2182343954	MJYDGRTYKQDFEI-QMMMGPOBSA-N	321.786	0.798	70	10	DCIE	
CC(C)c1[nH]nc(C(=O)NC[C@@H]2CCO2)c1S(=O)(=O)Cl	2189563328	MVTZAJCKZXFQIQ-ZETCQYMHSA-N	321.786	0.979	70	10	DCIE	
CS(=O)(=O)N1CC[C@H](OCCCCS(=O)(=O)Cl)C1	2257809034	LJPYLXGFHALDSU-VIFPVBQESA-N	319.832	0.386	70	10	DCIE	
C[C@H](CO[C@H]1CCN(S(C)(=O)=O)C1)CS(=O)(=O)Cl	2257818039	KURGTLZTTNWEIP-BDAKNGLRSA-N	319.832	0.242	70	10	DCIE	
C[C@H]1C[C@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C[C@@H](C)O1	2287063815	USDGLFDFUFOFNN-LMLFDSFASA-N	308.375	0.595	70	10	DCIE	
Cc1nn(CCS(C)(=O)=O)c(S(=O)(=O)Cl)c1C#N	126106628	MXWUILBIJZGDOU-UHFFFAOYSA-N	311.772	0.035	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@@H](C)CS(C)(=O)=O)cc1N	159635780	DTUHEGKTDAPGIM-QMMMGPOBSA-N	321.424	0.022	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cc(F)ccc2N)CCOC1	159901389	TWRGPYMVEVHENP-LBPRGKRZSA-N	304.343	0.492	70	10	DCIE	
C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CO1	401466448	MDUHDEOSIFBQFS-BDAKNGLRSA-N	323.367	0.801	70	10	DCIE	
Cn1ncc([N+](=O)[O-])c1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1523969342	FOKGPAKAHJWFHE-UHFFFAOYSA-N	317.258	0.567	70	10	DCIE	
COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1ncc(S(=O)(=O)F)s1	1623768595	HZAQUFKLRZYATA-NTSWFWBYSA-N	322.339	0.939	70	10	DCIE	
NC(=O)CSc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	1640021154	BUNYUTKZQXKDBF-UHFFFAOYSA-N	308.312	0.972	70	10	DCIE	
O=S(=O)(Cl)c1ccc(NS(=O)(=O)C2COC2)cc1	1923203867	XEDHJONXXCVGDD-UHFFFAOYSA-N	311.768	0.755	70	10	DCIE	
CO[C@H](c1nnc(S(=O)(=O)Cl)n1C)C1CCOCC1	2093878262	GRHKRRHJNZVEDV-QMMMGPOBSA-N	309.775	0.857	70	10	DCIE	
CS(=O)(=O)[C@@H]1CCN(c2ncc(F)cc2[B-](F)(F)F)C1	2132074007	SXNQLWBBHUNUAF-MRVPVSSYSA-N	311.089	0.898	70	10	DCIE	
O=C(NC1COC1)[C@@H]1COc2ccc(S(=O)(=O)Cl)cc21	2165339903	HFHPGVYWUMENOZ-SNVBAGLBSA-N	317.750	0.605	70	10	DCIE	
CC(C)Cn1c(-c2c[nH]c(=O)cn2)nnc1S(=O)(=O)Cl	2167125410	PXXZHPLMVLVTFW-UHFFFAOYSA-N	317.758	0.612	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@@H]1[C@@H]2CCO[C@H]21	2176432119	LEWVTQLYBZCHGP-IQJOONFLSA-N	318.782	0.717	70	10	DCIE	
O=S(=O)(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccccc1	2271513073	GNDZKOUPBJUZQC-VIFPVBQESA-N	308.356	0.254	70	10	DCIE	
Cc1cc(F)cnc1C(=O)NCC1CN(S(=O)(=O)F)C1	2281096931	VWNVTYPRASECDV-UHFFFAOYSA-N	305.306	0.405	70	10	DCIE	
COc1ccc(O)c(C(=O)NC2CN(S(=O)(=O)F)C2)c1	2284150102	GWJUUVIVWPUXKG-UHFFFAOYSA-N	304.299	0.029	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H](O)c1ccccc1	2287069658	NEWKZCAKZWJUHF-WDEREUQCSA-N	302.327	0.125	70	10	DCIE	
Cc1cnc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c(C)c1	2287076393	RUZNHYKKTQMVQH-SNVBAGLBSA-N	301.343	0.717	70	10	DCIE	
O=C1C[C@H](c2ncnc3c2OCCO3)N1S(=O)(=O)Cl	2342712456	NUDHUATUYMHEHV-RXMQYKEDSA-N	305.699	0.005	70	10	DCIE	
C[C@@H](NS(N)(=O)=O)c1ccc(S(=O)(=O)Cl)s1	100634605	OJBBDUKCBKDEKO-SCSAIBSYSA-N	304.802	0.530	70	10	DCIE	
CCCn1nncc1S(=O)(=O)CCS(=O)(=O)Cl	300981426	SAHJWOSIQIOHJH-UHFFFAOYSA-N	301.777	0.030	70	10	DCIE	
CN(C[C@@H]1CCCS1(=O)=O)c1ncc([B-](F)(F)F)cn1	2116150039	LABGRSOHNLBADP-VIFPVBQESA-N	308.114	0.544	70	10	DCIE	
CCNC(=O)[C@H](C)n1cc(S(=O)(=O)Cl)nc1COC	2125953223	HCBYKSOOHFHSLW-ZETCQYMHSA-N	309.775	0.654	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1C(=O)C1(C(N)=S)CCCC1	159773853	PTGWASBJJOMJLH-SNVBAGLBSA-N	313.423	0.196	70	10	DCIE	
CC(=O)N1CCC[C@H](C(=O)N2CC(CS(=O)(=O)F)C2)C1	1968216255	VLKFVFYMTLSQAW-NSHDSACASA-N	306.359	0.003	70	10	DCIE	
CC[C@@H]1OCC[C@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923176974	FGRBSXFTGKKRGT-SFYZADRCSA-N	305.331	0.254	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)CCN2CCCC2)n1	1923153774	SJHIKAXAWJAOND-UHFFFAOYSA-N	304.347	0.503	70	10	DCIE	
COc1csc(C(=O)NCC2CN(S(=O)(=O)F)C2)c1	1974054472	DJWOFIIWQPYUEL-UHFFFAOYSA-N	308.356	0.633	70	10	DCIE	
O=C(NC1CC1)[C@H]1COCCN1C(=O)c1nnc(Cl)s1	159516215	YAEFYBFEYDDIPW-SSDOTTSWSA-N	316.770	0.311	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CC(=O)N(C)C1	687223397	BMLHBCGDLRQNQH-MRVPVSSYSA-N	305.787	0.851	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1[C@H]2COC[C@H]21	2174640081	FEPBIOOACPKHSC-DOFRTFSJSA-N	318.782	0.810	70	10	DCIE	
COC[C@H](CC(C)C)C(=O)N1CCN(S(=O)(=O)F)CC1	2193444293	BAJRDCJESOGHGA-NSHDSACASA-N	310.391	0.654	70	10	DCIE	
CC(C)N1C[C@H](C(=O)N2CC(CS(=O)(=O)F)C2)CC1=O	2199682086	CUVXDIBHAUJXFX-SNVBAGLBSA-N	306.359	0.001	70	10	DCIE	
COCCOC1CN(c2nc(OC)ccc2[B-](F)(F)F)C1	2280498409	CUQLJVTVMRJVJN-UHFFFAOYSA-N	305.085	0.996	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cc(C)cc(N)c2C)CCOC1	159909997	IDSQTYSYMKBLAG-AWEZNQCLSA-N	314.407	0.969	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1nc2sccn2c1CN	160149810	REOPEXFQSNEIAQ-SNVBAGLBSA-N	309.395	0.196	70	10	DCIE	
O=C(CCNS(=O)(=O)c1ccccc1F)NC1(CO)CC1	160294832	KMDQZSPDYPDWMH-UHFFFAOYSA-N	316.354	0.135	70	10	DCIE	
CC(C)NCCCS(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	160450760	LZKBSFDCBONEFN-OLZOCXBDSA-N	317.455	0.305	70	10	DCIE	
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CS(=O)(=O)C(C)(C)C	160913158	RCCMBUMGIXPDRQ-NXEZZACHSA-N	304.412	0.312	70	10	DCIE	
CN1CCN(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1	217286822	XFGLJQZYBBSMGQ-HNNXBMFYSA-N	316.405	0.745	70	10	DCIE	
O=C([C@@H]1C[C@H]1C(F)(F)F)N1CCN(S(=O)(=O)F)CC1	2107409340	BBVJHRLSRAPCAM-RNFRBKRXSA-N	304.265	0.543	70	10	DCIE	
O=C(NC[C@@H]1[C@@H]2CCOC[C@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2150069902	WLVBSROLPCRLAF-IVZWLZJFSA-N	318.782	0.955	70	10	DCIE	
COc1cc(CC(=O)N2CC(S(=O)(=O)F)C2)ccc1O	2199682251	GNNQNMBEWORXOP-UHFFFAOYSA-N	303.311	0.453	70	10	DCIE	
CCc1nn(CCOCC(N)=O)c(CC)c1S(=O)(=O)Cl	2241089320	YIPMJIDPXANOKT-UHFFFAOYSA-N	323.802	0.437	70	10	DCIE	
O=C(Cc1ccc(O)cc1)N[C@@H]1CCN(S(=O)(=O)F)C1	2287075782	OVCWWOMWZBMREJ-SNVBAGLBSA-N	302.327	0.340	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1csc(Cl)n1	2258997371	WKRLHWKGFNEWMP-RXMQYKEDSA-N	313.763	0.815	70	10	DCIE	
Cn1nncc1S(=O)(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	1879786710	CDRGOJSKSXKZLG-IONNQARKSA-N	309.102	0.817	70	10	DCIE	
CNC(=O)c1cccc(CCC(=O)N(C)C[C@@H](C)C(=O)NC)c1	160418369	MOYZOIFOOOZKQP-GFCCVEGCSA-N	319.405	0.819	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cc(N)cc(F)c2F)CCOC1	159902478	FGDWBLBDEJNCSG-LBPRGKRZSA-N	322.333	0.631	70	10	DCIE	
CC(C)OC(=O)CCCNC(=O)N[C@@H]1CCc2ncnn2C1	159711922	PCTAUAFWELAJSQ-LLVKDONJSA-N	309.370	0.624	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)NC[C@H](O)C2CCCCC2)C[C@@H](C)O1	159544726	YGTLNVJEKNKGJW-SCRDCRAPSA-N	320.455	0.871	70	10	DCIE	
CNC[C@H]1CCN(c2cnn(CCN(C)C)c(=O)c2Cl)C1	159364267	JOJZAJXPRZUJGJ-LLVKDONJSA-N	313.833	0.504	70	10	DCIE	
CO[C@@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	224107094	FEXQFBCXVZEOFQ-QMMMGPOBSA-N	311.356	0.658	70	10	DCIE	
COC1CC(NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	234672779	QWWTYUXMZBIJPV-UHFFFAOYSA-N	307.759	0.553	70	10	DCIE	
O=S1(=O)CCON(c2nc([B-](F)(F)F)cs2)CC1	2005005827	WNOVDBYQBDWAQA-UHFFFAOYSA-N	301.100	0.364	70	10	DCIE	
Cn1ncc(N2CCC(OCCCN)CC2)c(Cl)c1=O	159788237	FXYCUKVIGVAIAV-UHFFFAOYSA-N	300.790	0.768	70	10	DCIE	
Cc1noc(CCC(=O)N2CCC(S(=O)(=O)F)CC2)n1	2144732355	DXNVHCFATFZBAS-UHFFFAOYSA-N	305.331	0.601	70	10	DCIE	
C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	163334117	YBDNMHXVNXKEGD-GZMMTYOYSA-N	323.367	0.801	70	10	DCIE	
CC(C)n1c(C2CS(=O)(=O)C2)nnc1S(=O)(=O)Cl	2036167735	VWRMZEKHUSUIIZ-UHFFFAOYSA-N	313.788	0.299	70	10	DCIE	
COCCn1c(CC[C@@H]2CCOC2)nnc1S(=O)(=O)Cl	401525951	RSQXVHLOFUKMMC-SECBINFHSA-N	323.802	0.821	70	10	DCIE	
COCCn1c([C@]23COC[C@@H]2C3)nnc1S(=O)(=O)Cl	689147449	JVDUYHDZBDEUSV-OIBJUYFYSA-N	307.759	0.140	70	10	DCIE	
NC(=O)NC(=O)COc1c(F)cc(F)cc1S(=O)(=O)F	2191428484	OEBHIYXVBGPRPE-UHFFFAOYSA-N	312.225	0.197	70	10	DCIE	
O=C(c1ccnc(Cl)c1[N+](=O)[O-])N1CC(S(=O)(=O)F)C1	2199683426	ZAFWRQDDFHBDCM-UHFFFAOYSA-N	323.689	0.767	70	10	DCIE	
Nc1cc(F)c(F)cc1C(=O)NC1CN(S(=O)(=O)F)C1	2286915252	ACCZDJKBAQLPBO-UHFFFAOYSA-N	309.269	0.175	70	10	DCIE	
Cc1ncnc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)c1[B-](F)(F)F	2336519048	BXAWUZSVBLXSDO-JGVFFNPUSA-N	306.098	0.073	70	10	DCIE	
C[C@H]1OCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	157069035	KLFOTQRDHGXMKH-APPZFPTMSA-N	306.771	0.860	70	10	DCIE	
CC[C@@H](N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)OC	159494607	WUBUOYYGCFILJD-JOYOIKCWSA-N	300.380	0.936	70	10	DCIE	
CC(C)(C)[C@H]1CCN(C(=O)C[C@H]2CS(=O)(=O)CCN2)C1	159550791	VIQBHDXKJLBXIX-RYUDHWBXSA-N	302.440	0.658	70	10	DCIE	
CCn1nnnc1-c1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2)c1	159585360	UFWQUTOSCQKWQD-NEPJUHHUSA-N	302.338	0.021	70	10	DCIE	
CN1CCO[C@H]2CN(C(=O)c3cc(-c4ccco4)[nH]n3)C[C@@H]21	159694979	MYGSXEHUPOAQOX-JSGCOSHPSA-N	302.334	0.825	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1c1ncccc1C(N)=S	159812222	XYTOHVMIQVGSKX-LLVKDONJSA-N	308.407	0.446	70	10	DCIE	
CCn1cnnc1[C@H]1CCCN([C@@H](C)C(=O)NCC(=O)OC)C1	161282452	DTPQZKIEGGGGOY-RYUDHWBXSA-N	323.397	0.155	70	10	DCIE	
COC(=O)[C@H](C[C@H]1CCCO1)OS(=O)(=O)C(F)(F)F	216470041	UVBCNYPMJSSUSF-RQJHMYQMSA-N	306.258	0.963	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CCCOCC2)c1S(=O)(=O)Cl	312858331	RJDFKWWTYHAGPX-MRVPVSSYSA-N	321.786	0.945	70	10	DCIE	
Cc1coc(C)c1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923177906	MNIHQYUIQVAZIS-UHFFFAOYSA-N	301.299	0.962	70	10	DCIE	
COc1csc(S(=O)(=O)CCS(=O)(=O)Cl)n1	1939022266	HSYUSVAYCGGZFO-UHFFFAOYSA-N	305.786	0.494	70	10	DCIE	
COc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)cn1	1968226381	BEICAQGNXVUJSQ-SNVBAGLBSA-N	302.327	0.994	70	10	DCIE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	1974055660	ULMRUKMSYVCNST-YJQGPUDQSA-N	304.387	0.931	70	10	DCIE	
C[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2118899126	WVCAFVJOXOZYQY-ZJUUUORDSA-N	314.404	0.337	70	10	DCIE	
CCS(=O)(=O)NC1CN(c2nc(C)ccc2[B-](F)(F)F)C1	2172765837	XIEMNKCNMSYTNJ-UHFFFAOYSA-N	322.141	0.572	70	10	DCIE	
O=S1(=O)CC[C@H]2CN(c3ncc([B-](F)(F)F)cc3F)C[C@H]21	2172787388	DTVUJPIJDDSFOY-OIBJUYFYSA-N	323.100	0.898	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCO[C@H]1CCOC1	2182345374	XTCGGSKTIKMIGX-VIFPVBQESA-N	324.786	0.763	70	10	DCIE	
CC[C@H](Oc1ccc(C(=O)O)cc1S(=O)(=O)F)C(N)=O	2191424075	NTWZOBZEJOWORB-ZETCQYMHSA-N	305.283	0.686	70	10	DCIE	
C[C@@]1(C(=O)NC2CN(S(=O)(=O)F)C2)C[C@H]1C(F)(F)F	2268803446	GCGBAYYJQNMYOS-HTRCEHHLSA-N	304.265	0.590	70	10	DCIE	
Cc1[nH]nc(C(=O)OC[C@]23C[C@H](CO2)C3)c1S(=O)(=O)Cl	2289164482	WFJHNEBKLWCOOH-DGFRNANFSA-N	320.754	0.981	70	10	DCIE	
CCCNC(=O)CN(C)S(=O)(=O)c1cc(N)cc(C)c1F	159487252	GBICAQFLVZQZPJ-UHFFFAOYSA-N	317.386	0.863	70	10	DCIE	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCCCO)c1C	159510175	ATRBXCDKGSSCKA-UHFFFAOYSA-N	304.368	0.469	70	10	DCIE	
CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CCC(=O)N(C)C1)CC2	160065524	QEJRMPBFMDTBKY-QWRGUYRKSA-N	320.397	0.075	70	10	DCIE	
CCOC(=O)[C@H]1CNCCN1c1nnc(C(F)(F)F)s1	160375813	BULNGHLVAVDVEX-ZCFIWIBFSA-N	310.301	0.898	70	10	DCIE	
CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NC2(CO)CC2)C1	160452452	ZPTFPRWUZGEJMX-CQSZACIVSA-N	302.346	0.977	70	10	DCIE	
Cn1ccc(NC(=O)C(=O)N2CC[C@H](Oc3cccnc3)C2)n1	161014501	JHWQGAURXFYMJW-LBPRGKRZSA-N	315.333	0.434	70	10	DCIE	
Cc1cc(NC(=O)C(=O)NC[C@](C)(O)Cc2ccco2)no1	217283018	KQXYEZXJRTYISK-CQSZACIVSA-N	307.306	0.624	70	10	DCIE	
CO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)Cl)cn2C)C1	234829946	DYBRGCIRFDMMTH-MRVPVSSYSA-N	306.771	0.814	70	10	DCIE	
N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CC1	460093877	MKFSRXNFJIDYON-UHFFFAOYSA-N	304.324	0.679	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@]23COC[C@H]2C3)c1S(=O)(=O)Cl	718099671	PBWLCSMBARKOOV-KSBSHMNSSA-N	319.770	0.418	70	10	DCIE	
Nc1c(F)cccc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974000533	BHDLPHRMHFHZDN-UHFFFAOYSA-N	305.306	0.380	70	10	DCIE	
O=S1(=O)C[C@H]2CCN(c3ncc([B-](F)(F)F)cn3)[C@H]2C1	2116137547	ZUCNRVLQJYRFIR-APPZFPTMSA-N	306.098	0.154	70	10	DCIE	
CN(CCN(C)S(C)(=O)=O)c1ccncc1[B-](F)(F)F	2116143766	AHNDSWXUKSFFGJ-UHFFFAOYSA-N	310.130	0.464	70	10	DCIE	
CO[C@H](C)CCS(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2134974369	DSMGZUVIOMPJHH-SECBINFHSA-N	317.404	0.362	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3CCOC[C@H]32)c1S(=O)(=O)Cl	2150119922	BALVXLMKFNVMDW-XLPZGREQSA-N	319.770	0.410	70	10	DCIE	
Cc1nc(O[C@@H]2CCN(S(C)(=O)=O)C2)ncc1[B-](F)(F)F	2285594782	CHHHEENJKACIFA-MRVPVSSYSA-N	324.113	0.252	70	10	DCIE	
CCOc1cccnc1S(=O)(=O)CCS(=O)(=O)Cl	160318091	DUBWNHWWTUIYSB-UHFFFAOYSA-N	313.784	0.823	70	10	DCIE	
Cc1cc(C[C@H](C)NC(=O)c2ccccc2OCC(N)=O)n[nH]1	161226700	SBSVBSBFFDJWLA-JTQLQIEISA-N	316.361	0.943	70	10	DCIE	
CCOC(=O)[C@@H](C[C@@H](CO)NC(=O)OC(C)(C)C)OCOC	217831928	DFUAIQRNADJQDV-WDEREUQCSA-N	321.370	0.814	70	10	DCIE	
CCCO[C@@H]1CS(=O)(=O)C[C@@H]1C1(S(=O)(=O)Cl)CC1	696653574	FUKQDXLEFRJJOV-DTWKUNHWSA-N	316.828	0.927	70	10	DCIE	
CCCn1nnnc1Cn1cc(S(=O)(=O)Cl)nc1CC	698621529	RTNPPSNZVZQKTC-UHFFFAOYSA-N	318.790	0.818	70	10	DCIE	
O=C(NNc1ncncc1Cl)c1cc(S(=O)(=O)F)c[nH]1	1634173272	ZXDZMKFGWJJFMM-UHFFFAOYSA-N	319.705	0.873	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CC(C)(C)S(C)(=O)=O	2048864351	BTAMCROPHSIMKJ-UHFFFAOYSA-N	314.816	0.942	70	10	DCIE	
Cc1nnc(O)c(C(=O)N2CC[C@H](S(=O)(=O)F)C2)c1C	2144733356	PESBYMXFWQAGTO-QMMMGPOBSA-N	303.315	0.313	70	10	DCIE	
CN(CC1[C@H]2CS(=O)(=O)C[C@H]12)c1ncccc1[B-](F)(F)F	2174649274	QMSADMWQYFLIIX-NXEZZACHSA-N	319.137	0.863	70	10	DCIE	
O=C(CCc1cccnc1)N[C@H]1CCN(S(=O)(=O)F)C1	2287065445	MQYMIWKNCVZTLF-NSHDSACASA-N	301.343	0.419	70	10	DCIE	
NC(=S)c1cccc(N2CCOC[C@H]2C(=O)NC2CC2)n1	159808037	BCOVEARJMISUQR-NSHDSACASA-N	306.391	0.200	70	10	DCIE	
CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NC2(CO)CC2)C1	160452587	ZPTFPRWUZGEJMX-AWEZNQCLSA-N	302.346	0.977	70	10	DCIE	
CN(C)CCC1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	161029077	CRKJAGLTZXUNLQ-AWEZNQCLSA-N	320.441	0.966	70	10	DCIE	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NCc1nnn(C)n1	1459742745	NOLKCEBZHSOMMF-UHFFFAOYSA-N	313.314	0.107	70	10	DCIE	
CC1CC(CS(=O)(=O)N2CCN(S(=O)(=O)F)CC2)C1	2107412517	RJKLLYKVYKUGCA-UHFFFAOYSA-N	314.404	0.194	70	10	DCIE	
O=S(=O)(F)c1ccc(NS(=O)(=O)[C@H]2CC2(F)F)cn1	2112526959	ZHGKEABIXUWKDS-LURJTMIESA-N	316.282	0.889	70	10	DCIE	
CC(C)c1nc(S(=O)(=O)Cl)cn1Cc1nc(=O)o[nH]1	2116629273	LNZAOONQOWOBRN-UHFFFAOYSA-N	306.731	0.659	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CCNC1=O	2128750001	XWVIGPZYHMLPPC-ZETCQYMHSA-N	307.759	0.093	70	10	DCIE	
Cc1ncnc(N2CCO[C@H](CN(C)C)C2)c1[B-](F)(F)F	2172758242	NCRDUPOOLDOHCV-SNVBAGLBSA-N	303.117	0.606	70	10	DCIE	
C[C@@]1(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)CCCOC1	2192845745	XELUZLYSMKKMDO-NSHDSACASA-N	322.770	0.693	70	10	DCIE	
Cc1ccc(C(=O)NCC2CN(S(=O)(=O)F)C2)c(N)c1	2286914968	XAYUIMINKSNMRO-UHFFFAOYSA-N	301.343	0.453	70	10	DCIE	
C[C@@H](N)c1cccc(S(=O)(=O)NCCNC(=O)C2CC2)c1	160824445	RZMOOZKWCRTGBP-SNVBAGLBSA-N	311.407	0.511	70	10	DCIE	
COC[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	163300906	DWCQPCJPLHFGSY-QMMMGPOBSA-N	311.356	0.658	70	10	DCIE	
CC(C)n1c([C@@H](C)n2cncn2)nnc1S(=O)(=O)Cl	232798909	YBDOIYUYPFHFLX-SSDOTTSWSA-N	304.763	0.987	70	10	DCIE	
O=S(=O)(Cl)Cc1cccc(OC2CS(=O)(=O)C2)c1	258832632	RXDGAVWOCLSYBZ-UHFFFAOYSA-N	310.780	0.931	70	10	DCIE	
COCC[C@H](C)c1nnc(S(=O)(=O)Cl)n1CCOC	386344814	MCRLREUCTYDDBC-QMMMGPOBSA-N	311.791	0.992	70	10	DCIE	
COc1nn(C)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1123741655	BEFUNRNFBHVHDI-UHFFFAOYSA-N	302.287	0.667	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1	2088468305	AHDUHUPRYNERNZ-JTQLQIEISA-N	311.331	0.888	70	10	DCIE	
Cc1cc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)nc(Cl)n1	2088470656	ZQVIEJFLSFLUON-SSDOTTSWSA-N	307.734	0.952	70	10	DCIE	
CC(C)n1c([C@@H]2COCCN2C)nnc1S(=O)(=O)Cl	2099565603	GTGFYCMDWRZINE-QMMMGPOBSA-N	308.791	0.790	70	10	DCIE	
O=C1N[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)nc2)CS1	2110214103	DBCNJIBIJDYJRM-ZCFIWIBFSA-N	305.312	0.503	70	10	DCIE	
Cc1nc(O[C@H]2CCN(S(C)(=O)=O)C2)ccc1[B-](F)(F)F	2285600139	NACVLTCDHUBUCD-VIFPVBQESA-N	323.125	0.857	70	10	DCIE	
CC1(C)[C@H]2CO[C@@]1(C(=O)N1CC(CCS(=O)(=O)F)C1)C2	2289246500	KNVUVHWZEDHIEE-ZWNOBZJWSA-N	305.371	0.949	70	10	DCIE	
Cn1cc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)cn1	159419238	GOMYKYGREPGWGK-UHFFFAOYSA-N	309.395	0.718	70	10	DCIE	
CC(C)(C)n1ncn(CC(=O)NCCOc2ccccc2)c1=O	159622227	WDWZOTBBOOFVOS-UHFFFAOYSA-N	318.377	0.995	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2c(C)cc(N)cc2C)CCOC1	159898615	KPVGPSNNBSUYQI-CQSZACIVSA-N	314.407	0.969	70	10	DCIE	
NC[C@@H]1CN(c2c(Cl)cnn(CC3CCC3)c2=O)CCO1	160065296	NDFNRUMAHUMJPI-LLVKDONJSA-N	312.801	0.861	70	10	DCIE	
Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1O	161248526	DGSJKWPHGHVRNT-ZNMIVQPWSA-N	315.377	0.795	70	10	DCIE	
C[C@H]1OCC[C@@H]1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	163334731	MEWSEYGECMPUBY-KCJUWKMLSA-N	323.367	0.801	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CCN1CCN(C)CC1	215748231	GBDFXTULZSIRRO-UHFFFAOYSA-N	306.819	0.366	70	10	DCIE	
O=C(Cn1ncccc1=O)NC[C@H]1CCCN1c1nccs1	217773451	UBJZAAVUTUNAET-LLVKDONJSA-N	319.390	0.485	70	10	DCIE	
O=S(=O)(Cl)c1ccccc1S(=O)(=O)NCCF	380100683	IRKREJIZDYCIEI-UHFFFAOYSA-N	301.748	0.862	70	10	DCIE	
C#CCCN(C)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1674997016	OKBLGBBWLSLLPI-SNVBAGLBSA-N	315.370	0.746	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1CC2(CSC2)C1	1974055129	NARLWNJRHAFZMX-UHFFFAOYSA-N	308.400	0.392	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)CCS(=O)(=O)N(C)C	2033644606	CEINSODRUMJESC-UHFFFAOYSA-N	320.864	0.158	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)[C@H]2CC2(F)F)C1	2049737856	AXTNROJIIDCNCW-RQJHMYQMSA-N	307.315	0.488	70	10	DCIE	
O=S1(=O)C[C@@H]2[C@@H](CCN2c2ncc([B-](F)(F)F)cn2)C1	2116137549	ZUCNRVLQJYRFIR-IONNQARKSA-N	306.098	0.154	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1CCC(=O)NC	2125953943	OSXOKWTUSWURQY-UHFFFAOYSA-N	309.775	0.483	70	10	DCIE	
O=C([C@@H]1CCc2nccn2C1)N1CC[C@@H](S(=O)(=O)F)C1	2159907819	GKNHUZIAONAXMG-NXEZZACHSA-N	301.343	0.346	70	10	DCIE	
CN1CCO[C@H]2CCN(c3ncc([B-](F)(F)F)cn3)C[C@@H]21	2185496354	JQMGMMUPMIZQFO-QWRGUYRKSA-N	301.101	0.440	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@]23CO[C@](C)(C2)C3)c1S(=O)(=O)Cl	2202615219	RYTZHQGNEKJEPR-XYPYZODXSA-N	319.770	0.697	70	10	DCIE	
O=S(=O)(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC12CCC2	2271506329	QJQRLOKRNRTIJR-RKDXNWHRSA-N	312.388	0.137	70	10	DCIE	
O[C@@H](CN1CCOCC1)CN1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2357337019	AGESCTLQVBXECK-AGIUHOORSA-N	307.145	0.993	70	10	DCIE	
C[C@H](c1ccccc1)N1C[C@H](NC(=O)N(C)CCO)CC1=O	217284237	BMMYOSZSTSBGPZ-TZMCWYRMSA-N	305.378	0.982	70	10	DCIE	
CCn1c([C@H](C)S(C)(=O)=O)nnc1S(=O)(=O)Cl	168027514	HBCLWBPTTKHKLO-YFKPBYRVSA-N	301.777	0.331	70	10	DCIE	
Cc1ccnc(N2CCS(=O)(=O)CCO2)c1[B-](F)(F)F	2116138899	SAFKQDLGJJZHHI-UHFFFAOYSA-N	309.098	0.611	70	10	DCIE	
O=S(=O)(F)CCN1CCn2c(Cc3ccccc3)nnc2C1	1615057815	KHLKRBODPMZHPM-UHFFFAOYSA-N	324.381	0.984	70	10	DCIE	
COCc1cc(C(=O)NC[C@@H]2C[C@@H]2C)cc(S(N)(=O)=O)c1	160334694	FZZOGDWAOUEURF-CABZTGNLSA-N	312.391	0.866	70	10	DCIE	
COC1(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CCCC1	1923163177	BXRBHMMEFXLYPN-UHFFFAOYSA-N	305.331	0.398	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2CCO[C@H](C)C2)c1S(=O)(=O)Cl	235403897	DWPQJFWEWKFEGX-SVRRBLITSA-N	321.786	0.943	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1C[C@H]2OCCO[C@@H]2C1	2149759480	AFWJFYDFYNMTPQ-NXEZZACHSA-N	320.754	0.182	70	10	DCIE	
O=C(N1CCC[C@@H](S(=O)(=O)F)C1)[C@@]12CCCN(CC1)C2	2144733174	NCHOMWJTOLBUPX-YPMHNXCESA-N	304.387	0.763	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CCCN1CCCCS(=O)(=O)Cl	2033838569	LIBUJAUAKLFXAN-JTQLQIEISA-N	317.860	0.844	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C1CCS(=O)(=O)CC1	689688693	RWESBMGWUPKILG-UHFFFAOYSA-N	312.800	0.869	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)CCN2CCOCC2)n1	2172758600	SCUIXXDFWMTJLL-UHFFFAOYSA-N	303.117	0.608	70	10	DCIE	
C[C@@H]1OCC[C@@H]1CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2196505742	VPRYKACDXCRDLT-YUMQZZPRSA-N	322.770	0.692	70	10	DCIE	
CS(=O)(=O)CS(=O)(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2073783382	VTSHHKACCUXDLK-JGVFFNPUSA-N	320.143	0.632	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1Cc1nnc2n1CCC2	2090783384	XOFUOPWABKJEAR-UHFFFAOYSA-N	301.759	0.705	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)c2cccc(F)n2)C1	2228555089	KZPZXYKTJCYOFH-ZETCQYMHSA-N	312.319	0.283	70	10	DCIE	
NCCCN(C=O)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	217287207	PYRJSJPYBMEQNX-CQSZACIVSA-N	318.377	0.304	70	10	DCIE	
O=C([C@H]1OC[C@@H]2CCC[C@H]12)N1CC(CCS(=O)(=O)F)C1	2358469429	VBQCASAGRWNJPC-SRVKXCTJSA-N	305.371	0.949	70	10	DCIE	
CNC(=O)[C@H]1CNCCN1C(=O)/C=C\c1ccc(Cl)cc1	216846349	MPMXOIOFDCBJTC-LLPBQKLSSA-N	307.781	0.900	70	10	DCIE	
Cn1c([C@@H]2C[C@@H]2Br)nnc1S(=O)(=O)Cl	1877336669	OPRAHKKJPMRSOX-DMTCNVIQSA-N	300.565	0.993	70	10	DCIE	
CS(=O)(=O)CC1(Cn2cnc(S(=O)(=O)Cl)c2)CC1	694560629	PYJWTFJEDMLTIN-UHFFFAOYSA-N	312.800	0.635	70	10	DCIE	
O=c1[nH]c(=O)n(C/C(Cl)=C\Cl)cc1S(=O)(=O)Cl	127621335	LQVMHVNVVFVJSL-DAFODLJHSA-N	319.553	0.783	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CC[C@H](S(C)(=O)=O)C2)n1	2123305192	GVSSNCDCWYRBNN-QMMMGPOBSA-N	308.114	0.463	70	10	DCIE	
Cc1cc(C(N)=S)cc(N2CCN(CCN(C)C)CC2)n1	161297687	GHTKKMPZUXTCOA-UHFFFAOYSA-N	307.467	0.708	70	10	DCIE	
CCCCOCCOC[C@@H](O)CNC[C@]1(OC)CCOC1	160276245	WLEDRUGQGBDDLL-LSDHHAIUSA-N	305.415	0.576	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2CCO[C@H]2C)c1S(=O)(=O)Cl	157075805	NWSNSPIIOPIPBB-BQBZGAKWSA-N	307.759	0.553	70	10	DCIE	
CNC(=O)NC(=O)CN1CCN([C@H](C)c2cccc(F)c2)CC1	159486588	OIXNLFKCKORTMN-GFCCVEGCSA-N	322.384	0.960	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1C[C@H]1OC	2131647960	QRJMAIRBIPCLEL-WCBMZHEXSA-N	306.771	0.953	70	10	DCIE	
CC(C)Cn1c(CCn2cncn2)nnc1S(=O)(=O)Cl	2146559790	FJNOXGHFFNUJOD-UHFFFAOYSA-N	318.790	0.696	70	10	DCIE	
O=S(=O)(Cl)Cc1ccccc1S(=O)(=O)C1COC1	258540756	CBVTTYWGMGTJNP-UHFFFAOYSA-N	310.780	0.928	70	10	DCIE	
CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(N)cc(C)c1F	159470394	ZHMBMMJMIFTUHM-MRVPVSSYSA-N	303.359	0.519	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc(N)cc2C)CCOC1	159913988	LSBOJRCHMYYLSJ-CYBMUJFWSA-N	300.380	0.661	70	10	DCIE	
NC(=O)COc1ccc(Br)cc1S(=O)(=O)F	1989237813	RXEITYQSQWHQGW-UHFFFAOYSA-N	312.116	0.971	70	10	DCIE	
COCCn1c([C@@H]2[C@@H]3CCCO[C@@H]32)nnc1S(=O)(=O)Cl	2176467128	VCYJZIPHOUTNBV-YIZRAAEISA-N	321.786	0.744	70	10	DCIE	
COCCOCCOCCOc1ncncc1[B-](F)(F)F	2172636465	WYXQVIPJYYRQNU-UHFFFAOYSA-N	309.073	0.589	70	10	DCIE	
CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc([B-](F)(F)F)cn1	2172785725	WCWJHSJMWHSRMG-UWVGGRQHSA-N	323.125	0.384	70	10	DCIE	
O=C([C@H](O)c1ccccc1)N1CC(CCS(=O)(=O)F)C1	2199684667	SABKQEFOAYGRHW-GFCCVEGCSA-N	301.339	0.868	70	10	DCIE	
O=S1(=O)CC[C@H](COc2ccc([B-](F)(F)F)c(F)c2)N1	2089980435	SZXZBKPXYSIRNL-SSDOTTSWSA-N	312.073	0.951	70	10	DCIE	
Cc1ncnc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c1[B-](F)(F)F	2336519049	BXAWUZSVBLXSDO-SFYZADRCSA-N	306.098	0.073	70	10	DCIE	
CS(=O)(=O)c1ccc(-c2nnc(S(=O)(=O)Cl)[nH]2)cc1	133319734	ACXTXPQTAXXMKK-UHFFFAOYSA-N	321.767	0.803	70	10	DCIE	
Cn1cc(I)c(CS(=O)(=O)F)n1	1880689531	AWVBOXBPARSNSV-UHFFFAOYSA-N	304.084	0.824	70	10	DCIE	
COC(=O)c1cc(OS(=O)(=O)F)cc(N2CCNCC2)c1	1887514509	KDBFGYFLFDTPTL-UHFFFAOYSA-N	318.326	0.476	70	10	DCIE	
COC(=O)c1cc(S(=O)(=O)NCC(C)(C)OC)ccc1O	160830537	CBHWBWPWOQLOAE-UHFFFAOYSA-N	317.363	0.882	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CCCN1c1ncc([B-](F)(F)F)cn1	2116137411	XYROKHAURFZHCQ-VIFPVBQESA-N	308.114	0.544	70	10	DCIE	
C=CCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1COC	2125953099	FSKYHYRMTLGQBN-UHFFFAOYSA-N	307.759	0.259	70	10	DCIE	
NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)c2ccc3c(c2)CCC3)O1	161489443	HLSKYAYCRICCKY-KBPBESRZSA-N	316.357	0.507	70	10	DCIE	
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nncn1C	160727598	DZHROKGRZMTFKX-SECBINFHSA-N	307.379	0.414	70	10	DCIE	
Cc1conc1NC(=O)C(=O)N1CCN(CC(F)F)CC1	160900890	IMJQUGVAVVBFJL-UHFFFAOYSA-N	302.281	0.331	70	10	DCIE	
CCOC(=O)CCC(=O)N1CCOC[C@@H]1C(=O)NC(C)C	159468129	ZDYMMUWYRWUGDD-LLVKDONJSA-N	300.355	0.082	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)Cl)CC[C@H]1NC(=O)C(F)(F)F	1953572331	BYQSICDADGPABC-NTSWFWBYSA-N	308.709	0.859	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)[C@H]2CCO[C@@H]2C)c1S(=O)(=O)Cl	161838026	PJLMUISOWILBQC-SFYZADRCSA-N	321.786	0.895	70	10	DCIE	
CCN(CC)S(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2028125704	CHWMIHOQCXUTJY-UHFFFAOYSA-N	302.393	0.337	70	10	DCIE	
O=S(=O)(Cl)CCCCN1CC[C@@H]2CS(=O)(=O)C[C@@H]21	2033839402	UTAKVHSTIGQWPE-ZJUUUORDSA-N	315.844	0.454	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCOC[C@@H]2[C@@H]2CCOC2)nc1	2172785903	WPNNUJFBLCIZMW-MWLCHTKSSA-N	302.085	0.773	70	10	DCIE	
C#CCNC(=O)[C@H](C)n1cc(S(=O)(=O)Cl)nc1COC	2182345210	YJCAYXULSQCLML-QMMMGPOBSA-N	319.770	0.267	70	10	DCIE	
Cc1[nH]nc(C(=O)OCCn2cncn2)c1S(=O)(=O)Cl	2184418744	YIZCEFFGIXIQJZ-UHFFFAOYSA-N	319.730	0.094	70	10	DCIE	
COCc1ccnc(S(=O)(=O)CCS(=O)(=O)Cl)c1	2078698993	KGNYVRLKFNEJTC-UHFFFAOYSA-N	313.784	0.570	70	10	DCIE	
COCCn1c([C@@H]2CCCN2C)nnc1S(=O)(=O)Cl	2095065005	YSUBIIITMQCXJB-QMMMGPOBSA-N	308.791	0.619	70	10	DCIE	
O=S(=O)(NC1CCN(S(=O)(=O)F)CC1)c1ccco1	2112718903	UHGJLZBKIWGACA-UHFFFAOYSA-N	312.344	0.237	70	10	DCIE	
CCNc1ccccc1C(=O)NC1CN(S(=O)(=O)F)C1	2286914734	UNMIGXRRZWXUBS-UHFFFAOYSA-N	301.343	0.747	70	10	DCIE	
O=C([C@H]1OC[C@@H]2CCC[C@H]12)N1CCN(S(=O)(=O)F)CC1	2358468301	OAISDMHNVXVFIF-DCAQKATOSA-N	306.359	0.160	70	10	DCIE	
O=C(NC[C@@H](O)Cn1ccccc1=O)c1ccc2nc[nH]c2c1	218396099	WTWGEHMEZUXKIK-GFCCVEGCSA-N	312.329	0.516	70	10	DCIE	
CC(=O)N1CC(C(=O)Nc2ncc(S(=O)(=O)F)s2)C1	1331945993	GRINTEMPQQGQQI-UHFFFAOYSA-N	307.328	0.218	70	10	DCIE	
COCCCNC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1268661869	NCEXXWYYXGFORA-SECBINFHSA-N	321.374	0.417	70	10	DCIE	
CCN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)CCOC	1731811878	XGSLYWOZSSZWCF-UHFFFAOYSA-N	321.374	0.371	70	10	DCIE	
CN(C(=O)Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1)C1CC1	215906095	UZBOEVTYXMUPAW-UHFFFAOYSA-N	322.730	0.340	70	10	DCIE	
O=C(NC1(CO)CC1)[C@H]1CCCN(C(=O)NC2CCCC2)C1	160359540	QKKZIXQBUFNNJT-LBPRGKRZSA-N	309.410	0.992	70	10	DCIE	
CC(C)(C)S(=O)(=O)CC(=O)NCCCCN1CCOCC1	160682336	AMAXCAWJKHOPOX-UHFFFAOYSA-N	320.455	0.428	70	10	DCIE	
Cc1ncc(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)s1	1923166991	HXNZQBWTIMXBJN-UHFFFAOYSA-N	304.328	0.517	70	10	DCIE	
Cc1c(O)cccc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001024	LMCFBXQWQPPKOI-UHFFFAOYSA-N	302.327	0.673	70	10	DCIE	
CSCCS(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2005794894	CEIGZYJALZGWJK-UHFFFAOYSA-N	305.418	0.443	70	10	DCIE	
COC[C@@H](COC(=O)c1cc(S(=O)(=O)Cl)c[nH]1)OC	695715352	FXQLMBCELUQTPV-ZETCQYMHSA-N	311.743	0.760	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2COC3CC2C3)c1S(=O)(=O)Cl	2183067350	LCJSFKJZFYZZMQ-RRQHEKLDSA-N	319.770	0.553	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CC(Cl)C2)cc1	2223833051	AIMXLSVRACGHKN-UHFFFAOYSA-N	313.759	0.957	70	10	DCIE	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NC1CN(S(=O)(=O)F)C1	2284152327	WLZVMYKMAQKWTP-AEJSXWLSSA-N	307.391	0.262	70	10	DCIE	
CC[C@@H]1CN(c2ccc(S(=O)(=O)NC)c(N)c2)CCN1C	159624508	UXPWGOMODBEJKZ-LLVKDONJSA-N	312.439	0.707	70	10	DCIE	
CS(=O)(=O)N1CCC[C@H](CNCC2(CO)CCCC2)C1	160141282	SDTFMWSUGHGMSW-CYBMUJFWSA-N	304.456	0.800	70	10	DCIE	
NC(=O)c1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1	160475689	NFZIIGYQEYZMRJ-AWEZNQCLSA-N	305.378	0.362	70	10	DCIE	
CNC[C@@H]1CCCN1C(=O)/C=C/c1cncc(C(=O)NC)c1	161382480	WNCNHFHQOKZOCI-GJBLVYBDSA-N	302.378	0.665	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2CCO[C@H]2C)c1S(=O)(=O)Cl	235351412	JZNXRCHQXOBXSB-YUMQZZPRSA-N	321.786	0.800	70	10	DCIE	
Cn1cc(CCOC(=O)c2cccc(S(=O)(=O)F)c2)nn1	1332330916	VHHJLSBFGIMXMZ-UHFFFAOYSA-N	313.310	0.873	70	10	DCIE	
CC#CCN[C@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1674730166	ZRRQKVGCPPRJLU-NXEZZACHSA-N	315.370	0.793	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccncc1Cl	1974059342	LCKZRMOICCUCHX-UHFFFAOYSA-N	307.734	0.611	70	10	DCIE	
CCS(=O)(=O)C[C@@H](C)N(C)CCCS(=O)(=O)Cl	2003967715	OGBKIMSKYXVRRS-SECBINFHSA-N	305.849	0.700	70	10	DCIE	
C[C@H]1CCO[C@@H]1CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2157351289	XXIAYJCCNDFGAG-JGVFFNPUSA-N	322.770	0.692	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CCS(=O)(=O)C[C@H]2C)n1	2172766402	GFCDVXZBBZLSCQ-SSDOTTSWSA-N	322.141	0.771	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cn1)[C@@H]1CCCS(=O)(=O)CC1	2172785525	LIGKSMZGWXXTRV-SNVBAGLBSA-N	322.141	0.935	70	10	DCIE	
O=CNc1nc(CC(=O)N2CC(CS(=O)(=O)F)C2)cs1	2199689153	PFIVPNBDIUSMPV-UHFFFAOYSA-N	321.355	0.012	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1nccc(Cl)c1F	2268803235	CUQXILAPJFBEAB-UHFFFAOYSA-N	311.697	0.502	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)cnn1[C@]1(C)CCS(=O)(=O)C1	105361734	CGHAYGHYRPPDIT-SECBINFHSA-N	312.800	0.653	70	10	DCIE	
CCOC(C)(C)CNS(=O)(=O)c1ccc(C(N)=S)nc1	159456563	RPOYWAAUTJEPBD-UHFFFAOYSA-N	317.436	0.809	70	10	DCIE	
CNc1ccncc1S(=O)(=O)NCC(=O)NC(C)(C)C	159970036	LCRXSCTYOKPANM-UHFFFAOYSA-N	300.384	0.316	70	10	DCIE	
CCc1cc(S(=O)(=O)Cl)n([C@H]2CCS(=O)(=O)C2)n1	203239812	KJQAFODVVIZUHR-QMMMGPOBSA-N	312.800	0.733	70	10	DCIE	
COCCOCCS(=O)(=O)N1CCO[C@H]2CCCC[C@H]21	216853410	WXMRGZOIJXPELV-OLZOCXBDSA-N	307.412	0.623	70	10	DCIE	
O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1CC1	217765493	YSXKIZRZTWIIBX-ZACCUICWSA-N	312.391	0.623	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1CCCS1	715813785	BLCUVCYUAFREHU-LURJTMIESA-N	310.784	0.772	70	10	DCIE	
O=CN1CCN(C(=O)c2cccc(S(=O)(=O)Cl)c2)CC1	1858161671	PTNNSZHZGOATFX-UHFFFAOYSA-N	316.766	0.528	70	10	DCIE	
CC(C)[C@@H](C#N)CS(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	1926329417	WXHWAGCVOOOQBL-VHSXEESVSA-N	312.388	0.486	70	10	DCIE	
Cc1cc(C)n(CCC(=O)N2CC[C@@H](S(=O)(=O)F)C2)n1	1968236377	VQBVSSWXWPODDI-LLVKDONJSA-N	303.359	0.790	70	10	DCIE	
Cc1cc(C(=O)N2CCN(S(=O)(=O)F)CC2)cc(O)n1	1974000659	DKJXZUCGCYKJBF-UHFFFAOYSA-N	303.315	0.068	70	10	DCIE	
CCc1onc(C)c1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001421	SUPKKGLILATIIN-UHFFFAOYSA-N	305.331	0.518	70	10	DCIE	
CC(C)n1c(CCS(C)(=O)=O)nnc1S(=O)(=O)Cl	2057675010	MQKSFAHMEYPWBW-UHFFFAOYSA-N	315.804	0.374	70	10	DCIE	
CCn1c([C@@H]2CO[C@H]3COC[C@H]32)nnc1S(=O)(=O)Cl	2101887949	AJANIXLPVPQSRD-RNJXMRFFSA-N	307.759	0.354	70	10	DCIE	
CN1CCN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)[C@@H]2C[C@@H]21	2112074677	LEZXKJPRBSHGIH-VHSXEESVSA-N	303.771	0.471	70	10	DCIE	
C#CC1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	2112875825	AJMHBLCSXWDVKZ-UHFFFAOYSA-N	303.336	0.599	70	10	DCIE	
CS(=O)(=O)CCN(c1ncncc1[B-](F)(F)F)C1CC1	2116148861	WAAOCXYTYOSSHV-UHFFFAOYSA-N	308.114	0.544	70	10	DCIE	
Cc1oc(C(=O)NC2[C@@H]3COC[C@@H]23)cc1S(=O)(=O)Cl	2118018983	YROYDURYDPRMHJ-RNFRBKRXSA-N	305.739	0.890	70	10	DCIE	
Cc1cccc(C)c1S(=O)(=O)N1CC(S(=O)(=O)F)C1	2134971544	PNSOTYIMOLRNFO-UHFFFAOYSA-N	307.368	0.976	70	10	DCIE	
Cc1ncnc(OC[C@@H](C)N2CCOCC2)c1[B-](F)(F)F	2186851009	VJIGGZBJQRDQGS-SECBINFHSA-N	304.101	0.939	70	10	DCIE	
CS(=O)(=O)N1CC[C@@H](Oc2ccc(S(=O)(=O)F)cc2)C1	2191433014	SKDZFINMMZTFKR-SNVBAGLBSA-N	323.367	0.758	70	10	DCIE	
C[C@H]1OCC[C@H]1CC(=O)NC1CCN(S(=O)(=O)F)CC1	2196351514	DHRFUMMGNCUAGJ-ZJUUUORDSA-N	308.375	0.596	70	10	DCIE	
COCCn1c(S(=O)(=O)Cl)nnc1[C@]12CO[C@](C)(C1)C2	2202588292	IXNWRNZSYATSDX-XYPYZODXSA-N	321.786	0.673	70	10	DCIE	
C[C@H](CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1)C(F)(F)F	2271486234	VLWSJNKLCAWYRC-RQJHMYQMSA-N	306.281	0.980	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cnccc1Cl	2271502121	VZLNFUILFGLDPF-SSDOTTSWSA-N	307.734	0.753	70	10	DCIE	
CC1(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)F)C2)COC1	2271537343	SLTPVHWNWCYUSS-VIFPVBQESA-N	315.388	0.116	70	10	DCIE	
Cc1nn(C)c(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1Cl	2287070179	OMZDGIQWJIWKJM-ZETCQYMHSA-N	324.765	0.400	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)N(C)CCc2nccs2)[C@H](C)CO1	159667912	KJFAGPHVKPHATB-MNOVXSKESA-N	319.452	0.971	70	10	DCIE	
COCCn1ncc(N(C)CC2CCNCC2)c(Cl)c1=O	159781759	WGQMYTKQIRSGIH-UHFFFAOYSA-N	314.817	0.979	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cc(C)c(C)c(N)c2)CCOC1	159913587	MLXYMXGCGOVDCM-AWEZNQCLSA-N	314.407	0.969	70	10	DCIE	
CS(=O)(=O)N1CCC[C@@H](Cn2cccc2C(N)=S)C1	160108379	HGWXVZNSCMUHHD-JTQLQIEISA-N	301.437	0.794	70	10	DCIE	
C[C@H](CO)[C@H](C)NC(=O)c1ccc(NS(C)(=O)=O)cc1	160417041	LPKWTOHRUUACSR-ZJUUUORDSA-N	300.380	0.805	70	10	DCIE	
Cn1cnc2cc(C(=O)N[C@H]3CCC[C@@H](C(N)=O)C3)cnc21	160576504	ZTRYXNWHPWSLST-KOLCDFICSA-N	301.350	0.742	70	10	DCIE	
CNC(=O)c1cccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c1	161342606	RSOYWZDNZYXTBA-GFCCVEGCSA-N	314.349	0.774	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1cnc(Cl)nc1	161498505	NRUBWLFCZRUMQO-UHFFFAOYSA-N	321.786	0.292	70	10	DCIE	
C[C@@H](CO)S(=O)(=O)NCCc1ccc2c(c1)OCCO2	217760414	VTTRMPCTKRLQQP-JTQLQIEISA-N	301.364	0.301	70	10	DCIE	
C[C@@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)[S@](C)=O	1346928692	CPOWUFVIASYXIB-VIIUKITBSA-N	310.372	0.560	70	10	DCIE	
C[C@H](CC(N)=O)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1533123313	OBSJLONAYMURAT-ZCFIWIBFSA-N	322.745	0.992	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)c2c(F)cccc2F)C1	2134975872	SSTFYRDMULJCJH-UHFFFAOYSA-N	315.294	0.637	70	10	DCIE	
COC[C@@H](CN(C)c1ncc([B-](F)(F)F)c(OC)n1)OC	2172765820	XAORNQISYWLZLF-MRVPVSSYSA-N	308.089	0.637	70	10	DCIE	
CO[C@@H]1CN(c2ncc([B-](F)(F)F)c(C)n2)[C@@H]2COC[C@@H]12	2172766291	DVGWIDGQDOBOAX-FBIMIBRVSA-N	302.085	0.689	70	10	DCIE	
Cn1nnnc1COc1c(F)cc(S(=O)(=O)F)cc1F	2191425814	IIJKVLZSJDLGNR-UHFFFAOYSA-N	308.241	0.726	70	10	DCIE	
CCOc1nc(C(=O)N2CC(CCS(=O)(=O)F)C2)co1	2199698593	PEIHSAXPWVRLED-UHFFFAOYSA-N	306.315	0.835	70	10	DCIE	
O=C([C@@H]1C[C@H]2COC[C@H](C2)C1)N1CC(CS(=O)(=O)F)C1	2206844413	GPVPHLADSZZMFX-IAZYJMLFSA-N	305.371	0.807	70	10	DCIE	
COCCn1c(-c2ncncc2F)nnc1S(=O)(=O)Cl	2289594954	IIHIWYOSYATZFH-UHFFFAOYSA-N	321.721	0.448	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCCC[C@@H]2C(N)=O)cc1N	159598280	OUBQZTAFEAPQBV-LLVKDONJSA-N	312.395	0.021	70	10	DCIE	
CCOC(C)(C)CNC(=O)c1n[nH]c(CC)c1S(N)(=O)=O	159846250	WMQVCPDYJGIZLK-UHFFFAOYSA-N	318.399	0.164	70	10	DCIE	
CC(C)(C)NC(=O)CNc1cc(N)cc(S(N)(=O)=O)c1	159858902	NZVBSLZSIGQHIB-UHFFFAOYSA-N	300.384	0.243	70	10	DCIE	
C[C@H](O)c1ccc(S(=O)(=O)NCC(=O)NC(C)(C)C)cc1	159946548	RZYZSRRGTBCVFX-JTQLQIEISA-N	314.407	0.933	70	10	DCIE	
C[C@H](O)c1ccc(S(=O)(=O)NCCNC(=O)C2CC2)cc1	160915013	YPVORAWPTPWEKD-JTQLQIEISA-N	312.391	0.544	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CCN1CCOCC1	215803993	AYQZLRWKPWSXHH-UHFFFAOYSA-N	307.803	0.705	70	10	DCIE	
NCCCN(C=O)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	217287205	PYRJSJPYBMEQNX-AWEZNQCLSA-N	318.377	0.304	70	10	DCIE	
O=C(NCc1ccc(F)cc1)NC[C@@H](O)Cn1ccccc1=O	218457546	GHPIPJIJUHKPHY-CQSZACIVSA-N	319.336	0.848	70	10	DCIE	
COCC1(N(C)C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)CC1	706409980	ZLJZKCCIKCNZHE-UHFFFAOYSA-N	321.786	0.897	70	10	DCIE	
Cn1nncc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	848947767	IOSOGMKTDQYXAU-UHFFFAOYSA-N	320.327	0.274	70	10	DCIE	
O=C(Nc1nc2cnccn2n1)c1cc(S(=O)(=O)F)c[nH]1	1438508597	LJDVFXKREIKKOO-UHFFFAOYSA-N	310.270	0.363	70	10	DCIE	
COC(=O)N(C)CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1520311754	NUKMVVYNXOSELN-UHFFFAOYSA-N	321.330	0.443	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CCCSC2)[nH]1	1923166812	FLNHRPGUWPRSHI-SSDOTTSWSA-N	307.372	0.582	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)C2(Cl)CC2)C1	1941419399	JZJAZVOCAJGGGK-SSDOTTSWSA-N	305.780	0.809	70	10	DCIE	
C[C@H]1CCC[C@H]1CS(=O)(=O)NCCS(=O)(=O)Cl	1944911088	CNMICBYTRUITHS-IUCAKERBSA-N	303.833	0.911	70	10	DCIE	
COC(=O)[C@H]1C[C@H](S(=O)(=O)F)CN1C(=O)OC(C)(C)C	2081005379	NMZUVQOIUHMLEK-JGVFFNPUSA-N	311.331	0.837	70	10	DCIE	
Cc1ncc(OCCN(C)S(C)(=O)=O)cc1[B-](F)(F)F	2092449584	INFSADWPMOPLKO-UHFFFAOYSA-N	311.114	0.715	70	10	DCIE	
O=C1CC(CS(=O)(=O)N2CCC(S(=O)(=O)F)CC2)C1	2116698471	LHKPJHBAKBTPMP-UHFFFAOYSA-N	313.372	0.059	70	10	DCIE	
O=C(c1cc(O)nc(O)c1)N1CCC(S(=O)(=O)F)CC1	2144734098	XFIUHEZEZZMDKA-UHFFFAOYSA-N	304.299	0.397	70	10	DCIE	
COCCn1c(C[C@H]2OCC[C@H]2C)nnc1S(=O)(=O)Cl	2157321135	UNTFFRVHHLGULH-RKDXNWHRSA-N	323.802	0.820	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ncc([B-](F)(F)F)cc3F)C[C@@H]2C1	2172787418	FELZXZOYPZGJDG-OCAPTIKFSA-N	323.100	0.756	70	10	DCIE	
COCCn1c([C@]23CCOC[C@@H]2C3)nnc1S(=O)(=O)Cl	2194442390	DKNKKLKTXBYAFQ-KWQFWETISA-N	321.786	0.530	70	10	DCIE	
Cc1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)nc1C	2287069668	QZLCGJRLOJYKMT-SNVBAGLBSA-N	301.343	0.717	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]32)c1S(=O)(=O)Cl	2330735142	KNXJQJAGRHXPLP-HAFWLYHUSA-N	305.743	0.163	70	10	DCIE	
CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1S(=O)(=O)Cl	227587125	YKQORRLQOKCCMO-ZCFIWIBFSA-N	313.788	0.128	70	10	DCIE	
O=C(N[C@H]1CCc2nc[nH]c2C1)c1cc(S(=O)(=O)F)c[nH]1	1263791340	QDNOYEMPYQTUBY-ZETCQYMHSA-N	312.326	0.683	70	10	DCIE	
CCN(c1ncncc1[B-](F)(F)F)[C@H]1CCS(=O)(=O)C1	2116142663	POZBBIMRHNEZJV-QMMMGPOBSA-N	308.114	0.544	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(C)CC2(O)CCCC2)cc1N	161089812	MJMVDGOFVXGZET-UHFFFAOYSA-N	313.423	0.918	70	10	DCIE	
Cn1cnc2cc(C(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cnc21	160782574	HTVFRBPFBLHKOD-KBPBESRZSA-N	316.361	0.988	70	10	DCIE	
O=C(CNC(=O)c1cccnc1)Nc1nnc(-c2ccccn2)[nH]1	160882966	PDHIHLPJSZRFCZ-UHFFFAOYSA-N	323.316	0.630	70	10	DCIE	
CC(C)[C@@H]1CC[C@H](N)[C@@H](N2CCN(S(C)(=O)=O)CC2)C1	217961613	LVLHEUOZBCHKQL-RDBSUJKOSA-N	303.472	0.716	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)C[C@H]1CCS(=O)(=O)C1	1943908289	HVMRJSCAEXANIE-SECBINFHSA-N	303.833	0.312	70	10	DCIE	
CC(C)(C(=O)NCC1CN(S(=O)(=O)F)C1)C(F)(F)F	1974059693	NZHRCKDQVLOMJJ-UHFFFAOYSA-N	306.281	0.837	70	10	DCIE	
O=c1c(Cl)c(NCC[C@H]2CCCNC2)cnn1CCO	159409559	LBXYBHYWFQCJPQ-SNVBAGLBSA-N	300.790	0.691	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2CO[C@H](C)C2)c1S(=O)(=O)Cl	401468486	NISYQLLCIYBKID-RQJHMYQMSA-N	321.786	0.807	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1CC2(C1)CC21CC1	2184064492	UGLDNEKEOWHFRO-UHFFFAOYSA-N	302.371	0.829	70	10	DCIE	
Cc1cccc(OCC(=O)NC[C@@H](O)Cn2ccccc2=O)c1	218416402	GIKVAUKVNOTZAW-CQSZACIVSA-N	316.357	0.713	70	10	DCIE	
O=c1ccccn1C[C@H](O)CNS(=O)(=O)c1ccccc1	218462036	BYMWFYSUMCHEJS-GFCCVEGCSA-N	308.359	0.188	70	10	DCIE	
C[C@]12C[C@H](C1)[C@H](C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)CO2	2362913012	PRXKGDQUHFAIST-UXCLJVHYSA-N	306.359	0.206	70	10	DCIE	
CCc1ccccc1OCNC(=O)N1CCN(CCO)CC1	217309974	SLPAGUPSJGTPFU-UHFFFAOYSA-N	307.394	0.905	70	10	DCIE	
C=CCN(C)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1717489561	UIJUEVSBQSVDGU-SECBINFHSA-N	303.359	0.909	70	10	DCIE	
CN(CCc1ccncc1)C(=O)N[C@@H]1CCc2ncnn2C1	161312424	XNRZZSKZMXIQDF-CYBMUJFWSA-N	300.366	0.872	70	10	DCIE	
Cc1cc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)ncn1	161368935	WLDWRDFLIBVTPP-ZDUSSCGKSA-N	318.377	0.496	70	10	DCIE	
O=C1CC[C@H]2CN(C(=O)CCN3CCSC3=O)CC[C@@H]2N1	160596104	YUYRTJRPIDJZEU-QWRGUYRKSA-N	311.407	0.672	70	10	DCIE	
COCCC[C@H](N)C(=O)NCc1ccc(S(C)(=O)=O)cc1	159457135	CASDXVXYYXPLAF-ZDUSSCGKSA-N	314.407	0.460	70	10	DCIE	
CCN(c1cnn(CCN(C)C)c(=O)c1Cl)[C@@H]1CCNC1	159382533	XVSIDXKEMFKQQR-LLVKDONJSA-N	313.833	0.647	70	10	DCIE	
O=C([C@H](O)c1ccccc1)N1CCN(S(=O)(=O)F)CC1	1974001528	VMZNREVCDOMPCW-LLVKDONJSA-N	302.327	0.079	70	10	DCIE	
O=C(NCC1[C@@H]2COC[C@@H]12)c1cc(S(=O)(=O)Cl)c[nH]1	386016492	VCHVLMJGODTKNS-IUCAKERBSA-N	304.755	0.564	70	10	DCIE	
CCCn1cccc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287074307	DDHMRDBDHNKMPO-SNVBAGLBSA-N	303.359	0.917	70	10	DCIE	
CCO[C@@H]1C[C@H](N)[C@@H]1Nc1cnn(CCOC)c(=O)c1Cl	159697366	IYXQGSUVPKEMQR-XRNSZHNASA-N	316.789	0.460	70	10	DCIE	
C[C@H](N)[C@H]1CCN(c2cnn(CCN(C)C)c(=O)c2Cl)C1	160002594	IGCIODPDHVJPOX-QWRGUYRKSA-N	313.833	0.632	70	10	DCIE	
CC[C@@H](NC)c1cccc(S(=O)(=O)NCCNC(N)=O)c1	160939228	KVAHHJGIIVETHB-GFCCVEGCSA-N	314.411	0.304	70	10	DCIE	
CNc1ccncc1S(=O)(=O)NC[C@]1(OC)CCOC1	161202202	OZGJCPHFUWPNEV-GFCCVEGCSA-N	301.368	0.207	70	10	DCIE	
CN1CCO[C@@H](c2noc([C@@]3(C(F)(F)F)CCNC3)n2)C1	217819020	FKOJCMYTYFSAPW-LDYMZIIASA-N	306.288	0.866	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1ccc(N)cc1Cl	218124758	NLFAFRRVPYXMQN-UHFFFAOYSA-N	305.787	0.679	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(N)c(C)cc1F	218154074	DMUMBYKCGZIPEH-UHFFFAOYSA-N	303.359	0.473	70	10	DCIE	
Cn1nnnc1COc1c(F)cc(S(=O)(=O)Cl)cc1F	698607545	HUPXZGWMOFGGQF-UHFFFAOYSA-N	324.696	0.995	70	10	DCIE	
C[C@@H]1CCC[C@@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)O1	2235160345	LAIGUHCFWSMHBL-SFYZADRCSA-N	322.770	0.834	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cnc(F)c(F)c1	2287076948	UQOGGRPLDOUDJZ-SSDOTTSWSA-N	309.269	0.378	70	10	DCIE	
CC1(C#N)CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	1963994806	RHUMMUAVWBNSJE-UHFFFAOYSA-N	318.351	0.879	70	10	DCIE	
CS(=O)(=O)N1CC[C@H](Oc2cncc([B-](F)(F)F)c2)C1	689736687	IUCJDOFLVPZIHB-VIFPVBQESA-N	309.098	0.549	70	10	DCIE	
CO[C@H]1CC(c2nnc(S(=O)(=O)Cl)n2C)C[C@@H]1OC	2118264136	ODNXUSQWIHJCQU-YUMQZZPRSA-N	309.775	0.650	70	10	DCIE	
CN(C)C(=O)COc1ccc(S(=O)(=O)Cl)cc1C(=O)O	215617675	QZZKNQLQHHLGSS-UHFFFAOYSA-N	321.738	0.779	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H](CC(N)=O)C1	160896160	LJROIBZCSOFTQL-SNVBAGLBSA-N	322.365	0.598	70	10	DCIE	
O=C(Cc1ccccc1O)N1CCN(S(=O)(=O)F)CC1	1974000534	BHRJQZRBRVIRJI-UHFFFAOYSA-N	302.327	0.293	70	10	DCIE	
Cc1nc(S(=O)(=O)CCS(=O)(=O)Cl)n(C)c1C	2025493880	YZISWZURWJLARE-UHFFFAOYSA-N	300.789	0.379	70	10	DCIE	
CC(F)(F)CS(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2112724150	FKKAUFDGNOMVNS-UHFFFAOYSA-N	324.346	0.240	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C1CC(C(F)F)C1	2271484333	BZHPUFJKIXNPPF-RRQHEKLDSA-N	300.302	0.683	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccc2c(c1)CCO2	2284141424	HSYHJAJMNUZNAS-UHFFFAOYSA-N	300.311	0.250	70	10	DCIE	
Nc1cc(Cl)ccc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287064619	DZTIZQCJCLUSNK-MRVPVSSYSA-N	321.761	0.941	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)c1cc(F)ccc1F	124143113	MQBMONVUIGRSJN-UHFFFAOYSA-N	319.738	0.812	70	10	DCIE	
COC(=O)Cn1ncc(N2C[C@@H](C)C[C@@H](N)C2)c(Cl)c1=O	159799602	DCFPAALXRVUMFS-DTWKUNHWSA-N	314.773	0.243	70	10	DCIE	
COCCn1ncc(N2CC[C@H](N)C[C@H]2C)c(Cl)c1=O	159931077	SODRIHJOQGLZDS-ZJUUUORDSA-N	300.790	0.859	70	10	DCIE	
COc1cc([C@@H](O)[C@H]2CCS(=O)(=O)C2)cc2c1OCO2	160076593	CAJXWYSETHTTBJ-UFBFGSQYSA-N	300.332	0.892	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1cc(NC)nc(SC)n1	160534389	SUDUJBVIXGLSPF-VIFPVBQESA-N	311.411	0.582	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)CC[C@@H]2CCCCN2)CCOC1	160542011	ZTHMWQBLQPJICC-STQMWFEESA-N	306.428	0.244	70	10	DCIE	
CCNC(=O)[C@@H](C)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215910432	ILLGZZWYSGPJLP-RXMQYKEDSA-N	310.719	0.416	70	10	DCIE	
COCCOCCS(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21	216853378	WXMRGZOIJXPELV-CHWSQXEVSA-N	307.412	0.623	70	10	DCIE	
Cc1ccccc1OCC(=O)NC[C@H](O)Cn1ccccc1=O	218416163	OQRTZMJOQVEPOU-AWEZNQCLSA-N	316.357	0.713	70	10	DCIE	
CCOC1CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	383088676	OKEPBDSUCLQGRP-UHFFFAOYSA-N	323.367	0.754	70	10	DCIE	
C[C@@]1(C(=O)Nc2ncc(S(=O)(=O)F)s2)CCC(=O)N1	1287483198	QJIJXYROCSZPPU-VIFPVBQESA-N	307.328	0.409	70	10	DCIE	
CC(C)(C)OC(=O)NCC(=O)N1CC[C@H](S(=O)(=O)F)C1	1882250394	RRVHDLBWEMJXMW-QMMMGPOBSA-N	310.347	0.411	70	10	DCIE	
O=C1CC[C@@H]1CS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2121679839	WVOCWOSNBNVINP-BDAKNGLRSA-N	313.372	0.059	70	10	DCIE	
CC1(C(=O)Nc2ccccc2S(=O)(=O)F)CS(=O)(=O)C1	2153710761	SSGVOKQPHAGMPW-UHFFFAOYSA-N	321.351	0.718	70	10	DCIE	
CN1CCO[C@@H]2CCN(c3ncc([B-](F)(F)F)cn3)C[C@@H]21	2185496355	JQMGMMUPMIZQFO-WDEREUQCSA-N	301.101	0.440	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1CCOC[C@H]1F	2186742291	ICPMRAFCRSRARE-BDAKNGLRSA-N	324.761	0.809	70	10	DCIE	
Cc1c(OCC(=O)NCC#N)ccc(S(=O)(=O)F)c1C	2191432742	QJONKNXPHATZBD-UHFFFAOYSA-N	300.311	0.980	70	10	DCIE	
CCn1cc(C(=O)N2CC(CCS(=O)(=O)F)C2)nc1O	2199683746	DUQGZRKYZFKHAP-UHFFFAOYSA-N	305.331	0.370	70	10	DCIE	
O=S(=O)(Cc1ccccc1)NC1CN(S(=O)(=O)F)C1	2268805808	NYDMKJCRUKHWOQ-UHFFFAOYSA-N	308.356	0.005	70	10	DCIE	
COc1ccc(N)c(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)c1	2286910931	XETCTYKQDPKKQI-SECBINFHSA-N	302.327	0.791	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1snnc1C1CC1	2335746930	WWSUFRYZAUHSDB-UHFFFAOYSA-N	306.344	0.044	70	10	DCIE	
O=C(Cn1nc2ccccc2n1)N1CCn2nc(CO)cc2C1	217686414	DETMMPLZDAXINT-UHFFFAOYSA-N	312.333	0.163	70	10	DCIE	
C#CCCNCC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1320551845	ABRMFJUNPPESSQ-JTQLQIEISA-N	315.370	0.794	70	10	DCIE	
O=C(NCC1(NCC2CC2)CC1)c1cc(S(=O)(=O)F)c[nH]1	1277178309	VSRCMIXPSHUBSH-UHFFFAOYSA-N	315.370	0.935	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@@H]2CO[C@H](C)C2)c1S(=O)(=O)Cl	2115707697	RVCOTFAZCKYLHX-VDTYLAMSSA-N	308.743	0.980	70	10	DCIE	
O=S1(=O)C[C@H]2CCN(c3ccc([B-](F)(F)F)cn3)[C@@H]2C1	2116150811	VVOSAZISYMKGIR-PSASIEDQSA-N	305.110	0.759	70	10	DCIE	
CC(=O)NCCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1523330753	HSKIDAROZDAGAW-UHFFFAOYSA-N	305.331	0.271	70	10	DCIE	
CC(C)(C)NC(=O)CNC(=O)Cc1ccc(C(N)=S)cc1	159879135	GEHXVUKIPIXLDQ-UHFFFAOYSA-N	307.419	0.894	70	10	DCIE	
COC(=O)Cn1ncc(N2C[C@@H](N)C[C@@H](C)C2)c(Cl)c1=O	159799233	DCFPAALXRVUMFS-BDAKNGLRSA-N	314.773	0.243	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1CCOCC12CC2	1915586246	PXTQXCBAFABCPH-UHFFFAOYSA-N	318.782	0.958	70	10	DCIE	
CCCS(=O)(=O)C[C@@]1(C)CC(=O)N1S(=O)(=O)Cl	2003987235	SSPIUFVOLWSHMC-MRVPVSSYSA-N	303.789	0.286	70	10	DCIE	
COCCn1c([C@@H]2C[C@H]3C[C@H]3CO2)nnc1S(=O)(=O)Cl	2151725314	JNZKNHLUWZZCTH-VGMNWLOBSA-N	321.786	0.950	70	10	DCIE	
O=[S@](NC1CCN(S(=O)(=O)F)CC1)c1ccccc1	2112722591	JYLZVQKNBWJMNK-SFHVURJKSA-N	306.384	0.978	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCc2ccnc(C)n2)cc1N	159609074	XFJLDNOZHIMRQV-UHFFFAOYSA-N	307.379	0.887	70	10	DCIE	
CCc1n[nH]c(=O)c(CNC(=O)NC[C@@H](O)C(C)C)c1CC	160414103	AIKUHRMVCNNKLI-CYBMUJFWSA-N	310.398	0.711	70	10	DCIE	
Cc1cccc(OCNC(=O)N2CCN(CCO)CC2)c1C	217291280	QJPPOFAHZDDPKO-UHFFFAOYSA-N	307.394	0.959	70	10	DCIE	
O=C1CN(c2ccccc2CS(=O)(=O)Cl)C(=O)CN1	258560139	BLZWQBVCWPIAKI-UHFFFAOYSA-N	302.739	0.218	70	10	DCIE	
COCc1nc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)cs1	1968236582	XTLIDJLKSGEFJV-ZETCQYMHSA-N	308.356	0.803	70	10	DCIE	
CS(=O)(=O)CCN(CCCCS(=O)(=O)Cl)C1CC1	2050778408	QXOAYRSWBXOJJP-UHFFFAOYSA-N	317.860	0.844	70	10	DCIE	
O=C(Nc1ccc(S(=O)(=O)Cl)cc1)[C@H]1CCS1(=O)=O	2094339993	CPUAJQQBIJDEGG-SECBINFHSA-N	323.779	0.740	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@H]2C(F)(F)F)[nH]1	2156846369	WPJNJGBAOKQIAZ-RFZPGFLSSA-N	315.248	0.637	70	10	DCIE	
CCn1ncc(-c2nnc(S(=O)(=O)Cl)n2CCOC)n1	2172443240	URNVVTCAEJWSTF-UHFFFAOYSA-N	320.762	0.130	70	10	DCIE	
CC[C@@H]1CC[C@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)O1	2201411264	ZZGVUFVUDWYRAH-HTQZYQBOSA-N	322.770	0.834	70	10	DCIE	
C[C@@H]1O[C@H](C)[C@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)[C@H]1C	2287069814	RTEGOHLSGJCYCB-FBDQPXRJSA-N	308.375	0.451	70	10	DCIE	
COc1ccc(S(=O)(=O)CCS(=O)(=O)Cl)c(C#N)n1	2337017821	IDGWTKYRJDWRLC-UHFFFAOYSA-N	324.767	0.304	70	10	DCIE	
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(CC)CCCO	160466993	MYAYJYKSHJWNLI-GFCCVEGCSA-N	306.428	0.422	70	10	DCIE	
C[C@H]([C@@H](Cc1cncc(Br)c1)NN)S(C)(=O)=O	161156694	TZUFICHVWHMCLP-GMSGAONNSA-N	322.228	0.652	70	10	DCIE	
C[C@@H](CNC[C@@H]1CCCN(S(C)(=O)=O)C1)N1CCCC1	161198015	CSMUVSXYWWDNHC-KBPBESRZSA-N	303.472	0.732	70	10	DCIE	
CC(=O)NCCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	217287369	XWHAHQJWWPGJHI-CQSZACIVSA-N	318.377	0.223	70	10	DCIE	
CC[C@@H]1CC[C@@H](N)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217970780	DDBMJXZRRGYWKV-MGPQQGTHSA-N	303.472	0.717	70	10	DCIE	
Cn1nnc(C(=O)NCc2ccc(S(=O)(=O)Cl)s2)n1	700409505	OWEUOBKLXGKWJF-UHFFFAOYSA-N	321.771	0.129	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1CCC2(COC2)C1	1915562780	CIHCOEKHVWAXGB-UHFFFAOYSA-N	304.755	0.805	70	10	DCIE	
Cc1cc(O)cc(C(=O)N2CCN(S(=O)(=O)F)CC2)c1	1974000971	KKFNIXVUHLSIMY-UHFFFAOYSA-N	302.327	0.673	70	10	DCIE	
C[C@]1(C(=O)NCC2CN(S(=O)(=O)F)C2)C[C@H]1C(F)(F)F	1974054806	IYZGGJXCBOUTLC-APPZFPTMSA-N	318.292	0.837	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2C[C@H]3C[C@H]2CS3(=O)=O)n1	2116126371	DNWCHBMWAARWMW-DTWKUNHWSA-N	305.110	0.820	70	10	DCIE	
CCCS(=O)(=O)CCN(C)c1ncc([B-](F)(F)F)cn1	2116146206	UEQYUALDODFPIW-UHFFFAOYSA-N	310.130	0.792	70	10	DCIE	
Cc1ncc(S(=O)(=O)N2CC(CCS(=O)(=O)F)C2)[nH]1	2134973213	NWJVMIAPTVRUPE-UHFFFAOYSA-N	311.360	0.028	70	10	DCIE	
COc1nc(N2CC[S@](=O)C(C)(C)C2)ncc1[B-](F)(F)F	2172768078	CTLLFBWKKPRRNM-NRFANRHFSA-N	322.141	0.887	70	10	DCIE	
Cc1ncnc(N(C)[C@H]2CS(=O)(=O)C2(C)C)c1[B-](F)(F)F	2172768786	NNQHDNPVBZGXDG-QMMMGPOBSA-N	322.141	0.851	70	10	DCIE	
Cc1cc(N2CC(N(C)C3COC3)C2)ncc1[B-](F)(F)F	2173111238	GNIHSTKJRJYJMG-UHFFFAOYSA-N	300.113	0.964	70	10	DCIE	
CN1CCN(C[B-](F)(F)F)[C@H](CNC(=O)C(F)(F)F)C1	1954657164	VWKCHXAQTCGONL-SSDOTTSWSA-N	306.039	0.668	70	10	DCIE	
COC[C@H](O)CN(C)C(=O)/C=C\S(=O)(=O)c1ccccc1	218120451	IQAWLIYCZAXHOB-JLVNDZCYSA-N	313.375	0.440	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2C[C@@H](C)CO2)c1S(=O)(=O)Cl	2166247864	CLFZFFKMYKUSCW-SVRRBLITSA-N	321.786	0.800	70	10	DCIE	
COCC1(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1	697494911	IIPNKPCDHPSNJN-UHFFFAOYSA-N	323.367	0.802	70	10	DCIE	
C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(S(=O)(=O)F)C1	1897482197	SQKFDOPTHIYBQZ-SECBINFHSA-N	322.358	0.576	70	10	DCIE	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1ncc([B-](F)(F)F)cn1	2116149011	XRNZLYPYYZNMOL-JGVFFNPUSA-N	310.130	0.789	70	10	DCIE	
CN1CCO[C@@H](c2nnc(S(=O)(=O)Cl)n2C2CC2)C1	2131265691	GLLDDTRZHLOVEP-MRVPVSSYSA-N	306.775	0.544	70	10	DCIE	
N#Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)cc1	2134974385	DZQRSAZTGQPKDG-UHFFFAOYSA-N	304.324	0.230	70	10	DCIE	
CN1CCC[C@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)C1	1974401402	BFZQURBYMBYQAZ-JTQLQIEISA-N	307.391	0.123	70	10	DCIE	
C[C@H](NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(N)cc1	159475050	JOQSDAOIZMCHDX-JOYOIKCWSA-N	318.420	0.436	70	10	DCIE	
COCCOCCN(C)C(=O)c1cc(S(=O)(=O)Cl)c[nH]1	380731857	KIYATFNTKNPVBC-UHFFFAOYSA-N	324.786	0.677	70	10	DCIE	
Cc1ncnc(N(C)CCN2CCOCC2)c1[B-](F)(F)F	2172758381	PDTWUNUNQYWIPI-UHFFFAOYSA-N	303.117	0.608	70	10	DCIE	
Cc1nc(N(C)C[C@H]2CCS(=O)(=O)C2)ncc1[B-](F)(F)F	2172766592	IUIHQTKJBZIVEV-SECBINFHSA-N	322.141	0.710	70	10	DCIE	
O=C([C@H]1CCc2nccn2C1)N1CC(CS(=O)(=O)F)C1	2199683259	WNWVVSJWMRUKCC-JTQLQIEISA-N	301.343	0.203	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)[C@@H]2CCCC[C@H]2F)C1	2118937205	QIPGZPRHDZPBCD-OPRDCNLKSA-N	317.379	0.971	70	10	DCIE	
O=C(N1CC(CS(=O)(=O)F)C1)[C@]1(O)C[C@@H]1C(F)(F)F	2344048866	UJTQPPKGJMSOET-XPUUQOCRSA-N	305.249	0.057	70	10	DCIE	
CCNc1nnc(CN2CCSC[C@@H]2S(C)(=O)=O)s1	159465905	RPMDOVRTQVXZEJ-VIFPVBQESA-N	322.481	0.889	70	10	DCIE	
COc1ccc(N)cc1S(=O)(=O)NC[C@@]1(OC)CCOC1	159908842	USRZKGXXMZCANY-ZDUSSCGKSA-N	316.379	0.361	70	10	DCIE	
C[C@@H](N)c1nc(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cs1	160222646	RCWWEQXRXNOZNV-BBBLOLIVSA-N	308.407	0.904	70	10	DCIE	
CCCNc1nnc(CN2CCOC[C@H]2C(=O)NCC)s1	160377720	YZQOADOGZIMMBF-JTQLQIEISA-N	313.427	0.697	70	10	DCIE	
CCCCN(CCCC)S(=O)(=O)N[C@@H]1CCN(C)C1=O	160468495	BAGUBHBBFPHGFV-GFCCVEGCSA-N	305.444	0.954	70	10	DCIE	
CN(C)C(=O)NCCNS(=O)(=O)c1cc(N)c(F)cc1F	160694921	KPJRMLHXGUOVLJ-UHFFFAOYSA-N	322.337	0.097	70	10	DCIE	
COCCn1c([C@H]2CCOC[C@H]2C)nnc1S(=O)(=O)Cl	305962678	KDYIMOOBEMYQQT-BDAKNGLRSA-N	323.802	0.992	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CC[C@@H]1CCNC1=O	395880698	CAQCNWAFQDEIHJ-QMMMGPOBSA-N	305.787	0.899	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CN(C)C(=O)O1	690555895	DUVMYZZUSBDLHP-ZETCQYMHSA-N	307.759	0.824	70	10	DCIE	
CCC[C@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C(N)=O	1525660790	JKCQLCRSJIKGHS-NSHDSACASA-N	316.354	0.658	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccc(F)cc1F	1974058697	HDBGQFLNADIZSF-UHFFFAOYSA-N	308.281	0.841	70	10	DCIE	
CP(C)(=O)CCC(=O)NC1CCN(S(=O)(=O)F)CC1	1974395032	TXMWJKGGWQSFDN-UHFFFAOYSA-N	314.319	0.794	70	10	DCIE	
CCn1c([C@@]2(OC)CCCOC2)nnc1S(=O)(=O)Cl	2109868990	OWHCZQALZBAPRU-SNVBAGLBSA-N	309.775	0.878	70	10	DCIE	
CO[C@@H]1COC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2120785266	LHXNHQFQPDTDHC-DTWKUNHWSA-N	308.743	0.086	70	10	DCIE	
CO[C@@H]1CN(c2ncnc(C)c2[B-](F)(F)F)[C@@H]2COC[C@H]12	2172766585	IRZBMBFRLVESPH-IVZWLZJFSA-N	302.085	0.689	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@H]2CCO[C@H]21	2176536137	XJCFRZGCBRXAPW-FBIMIBRVSA-N	318.782	0.953	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC12CCC(CC1)O2	2192020668	YMSAYUOBEBKNPV-UHFFFAOYSA-N	320.754	0.588	70	10	DCIE	
COCC1(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CCCC1	2287076136	HALVDRQSEUXCSF-JTQLQIEISA-N	308.375	0.598	70	10	DCIE	
CC[C@@](C)(C(=O)N1CCOC[C@H]1C(=O)NC(C)C)C(N)=S	159784182	VPCHLBTVHPDRLH-IINYFYTJSA-N	315.439	0.441	70	10	DCIE	
Cc1cncc(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)c1	160791367	IDVAFZRUDVHAHW-UHFFFAOYSA-N	304.350	0.874	70	10	DCIE	
COC[C@H](C)S(=O)(=O)N(C)CC1CCN(C[C@@H](C)O)CC1	161448363	GRTMYXJHSBNOBS-OLZOCXBDSA-N	322.471	0.376	70	10	DCIE	
COc1cccc(OC)c1NC(=O)NCCN1CCNCC1	217270634	RTFJEXDEZJNAEA-UHFFFAOYSA-N	308.382	0.731	70	10	DCIE	
CCN(CC)CCCNS(=O)(=O)c1c(CO)n[nH]c1C	218651178	VEVOKTJSOSJGQS-UHFFFAOYSA-N	304.416	0.221	70	10	DCIE	
Cc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H]3C2)c1S(=O)(=O)Cl	718191794	FGQHWDDKESQKIV-HTQZYQBOSA-N	319.770	0.364	70	10	DCIE	
O=C(NNC(=O)c1cccnn1)c1ccc(S(=O)(=O)F)cc1	1132946147	LQLDFXFGPIJAOD-UHFFFAOYSA-N	324.293	0.210	70	10	DCIE	
CCN[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1490714756	YVOKWYBLLKXCGO-LLVKDONJSA-N	303.359	0.791	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1CCC(F)(F)C1	1974054740	HZNRAWKMCZKNPY-QMMMGPOBSA-N	300.302	0.684	70	10	DCIE	
CS(=O)(=O)Cc1cc2c(cc1S(=O)(=O)F)OCCO2	2089932150	BFJBTHQFDDBNFA-UHFFFAOYSA-N	310.324	0.661	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ncccc3[B-](F)(F)F)C[C@H]2C1	2116142771	RAYLWALQVTVFDX-IUCAKERBSA-N	305.110	0.617	70	10	DCIE	
COc1nc(N(C)Cc2cn(C)cn2)ncc1[B-](F)(F)F	2172757994	KDGVNDYFLKLIOP-UHFFFAOYSA-N	300.073	0.910	70	10	DCIE	
Cc1nc(N2CCC[C@@H]2CS(C)(=O)=O)ncc1[B-](F)(F)F	2172770165	HUVDAYOMSXVTQG-SECBINFHSA-N	322.141	0.853	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1(CC(F)(F)F)CC1	2176739115	PJFMTMHZTKVQIK-UHFFFAOYSA-N	318.292	0.981	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@@H](C)C(=O)NC1CC1	2182342057	BTPJHAABFZCDAV-ZETCQYMHSA-N	321.786	0.797	70	10	DCIE	
Cc1cc(C)c(C(=O)N2CC(CS(=O)(=O)F)C2)c(O)n1	2199683017	SGHNWGTZBLXNIQ-UHFFFAOYSA-N	302.327	0.775	70	10	DCIE	
O=C(N1CC(CCS(=O)(=O)F)C1)[C@]12CO[C@](CF)(C1)C2	2202585914	CPTYIKMWYGIWGT-HAQNSBGRSA-N	309.334	0.653	70	10	DCIE	
C[C@@H](OCc1ccccc1)C(=O)NC1CN(S(=O)(=O)F)C1	2241568865	HXPGTHNUHLOTAE-SNVBAGLBSA-N	316.354	0.606	70	10	DCIE	
O=C(N1CC[C@@H](S(=O)(=O)F)C1)[C@@]12CC[C@@](CF)(C1)OC2	2290485239	PHCFGDCRABAZTD-USWWRNFRSA-N	309.334	0.795	70	10	DCIE	
CO[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@](C)(CO)C1	1123819109	HXXHWBVAVVWYRB-UFBFGSQYSA-N	320.342	0.285	70	10	DCIE	
C[C@H](CC(=O)N1CC(S(=O)(=O)F)C1)NC(=O)OC(C)(C)C	1897481685	OJTGPCDTCIWUEJ-MRVPVSSYSA-N	324.374	0.800	70	10	DCIE	
COc1ccccc1N1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)C1	161050401	CBGGAUQCMCPLJN-NSHDSACASA-N	314.345	0.787	70	10	DCIE	
CCNC(=O)NC1(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)CCCC1	160002087	NGCDKKZIERLCQR-BETUJISGSA-N	308.426	0.971	70	10	DCIE	
Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1	160201957	JVWDRDCWVXFQIY-NXEZZACHSA-N	301.368	0.614	70	10	DCIE	
O=C(c1ccc(F)c(O)c1)N1CCN(S(=O)(=O)F)CC1	1974000770	GOWFLVRSSZVHAF-UHFFFAOYSA-N	306.290	0.503	70	10	DCIE	
O=C(c1cccc(O)c1O)N1CCN(S(=O)(=O)F)CC1	1974001711	ZGVFTOFNVNLFMX-UHFFFAOYSA-N	304.299	0.070	70	10	DCIE	
CCCn1cc(S(=O)(=O)N(C)[C@@H](CN)C2CC2)nc1C	159959719	HRHJQGNBSGZMJK-LBPRGKRZSA-N	300.428	0.959	70	10	DCIE	
C[C@@H]1C[C@@H]1CNS(=O)(=O)N1CCC(CNC2CC2)CC1	160796074	SGGYBOQIABKAIJ-DGCLKSJQSA-N	301.456	0.941	70	10	DCIE	
CNCCn1nc(C)c(S(=O)(=O)NC[C@@H]2C[C@@H]2C)c1C	160806842	FPQASQXIXRVNHJ-CABZTGNLSA-N	300.428	0.654	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CCOC1	161075533	NOBOKEPLJMULMR-LLVKDONJSA-N	322.770	0.112	70	10	DCIE	
Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)F)CC2)c1	2163651056	IMSOJWDYXSMZSL-UHFFFAOYSA-N	322.383	0.516	70	10	DCIE	
O=S1(=O)CC[C@@H](CCn2cc(S(=O)(=O)Cl)cn2)C1	694592430	FPKOBORZGYWLCK-MRVPVSSYSA-N	312.800	0.635	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1[C@@H]1COC[C@H]1OC	2182344503	QJPNAOJNVSOJKO-RKDXNWHRSA-N	324.786	0.933	70	10	DCIE	
O=S1(=O)C[C@H]2CCN(c3nc([B-](F)(F)F)cs3)[C@@H]2C1	2052597474	QXKKQQBZZDUWHP-RNFRBKRXSA-N	311.139	0.821	70	10	DCIE	
Cn1c([C@H]2CCc3nccn3C2)nnc1S(=O)(=O)Cl	2103643881	MRWBCLQYFNXIAS-ZETCQYMHSA-N	301.759	0.669	70	10	DCIE	
COc1ccsc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271492472	NVHVRLSKJPVDTL-SSDOTTSWSA-N	308.356	0.775	70	10	DCIE	
O=C([C@@H]1OC[C@H]2CCC[C@H]21)N1CC(CCS(=O)(=O)F)C1	2233192149	VBQCASAGRWNJPC-IJLUTSLNSA-N	305.371	0.949	70	10	DCIE	
CCc1ccnc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1	2287066253	VTLINIOVNTWQKD-JTQLQIEISA-N	301.343	0.662	70	10	DCIE	
C[C@@H](C[S@@](C)=O)NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	135264052	LATVJKSJHHOTJF-HQRLLJBISA-N	312.800	0.439	70	10	DCIE	
NC(=S)c1ncccc1N1CCOC[C@@H]1C(=O)NC1CC1	159808618	KRVXUWGDSWBPNX-LLVKDONJSA-N	306.391	0.200	70	10	DCIE	
O=C(NC1(CO)CC1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1	160489252	ODDWPMIHCGJFQE-VIFPVBQESA-N	310.300	0.959	70	10	DCIE	
CN(C)C[C@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCO1	160537474	KGKXIEZKHJFEFB-LBPRGKRZSA-N	303.366	0.371	70	10	DCIE	
CCc1nnc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)o1	700446607	FZDLGYWGXVGVID-UHFFFAOYSA-N	321.702	0.713	70	10	DCIE	
Cc1nn(CCc2cn(C)nn2)c(C)c1S(=O)(=O)Cl	2108150520	GSYXAZWSMVGDHQ-UHFFFAOYSA-N	303.775	0.799	70	10	DCIE	
CC(C)n1c([C@H]2CN(C)CCO2)nnc1S(=O)(=O)Cl	2131266814	UJJZBPFXBRTOGE-MRVPVSSYSA-N	308.791	0.790	70	10	DCIE	
Cc1ccccc1S(=O)(=O)N1CC(CS(=O)(=O)F)C1	2134977833	YEHQAOFUHYZZRD-UHFFFAOYSA-N	307.368	0.915	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@]12CCOC[C@H]1C2	2194419649	HFHUTLFZRNNNQR-PELKAZGASA-N	318.782	0.861	70	10	DCIE	
COC1(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CC(C)C1	2281086997	YSAVROCMWDOIAF-UHFFFAOYSA-N	305.331	0.254	70	10	DCIE	
CNC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](CN)C2CC2)cc1	159913913	PQBSAAWYNNWYBK-ZDUSSCGKSA-N	311.407	0.404	70	10	DCIE	
N[C@H]1CCCc2c1ccc(=O)n2CC(=O)NCC(F)(F)F	161061927	JYCTYOOGVGQUSY-VIFPVBQESA-N	303.284	0.863	70	10	DCIE	
CNC(=O)CN1CCC(NCCNC(=O)OC(C)(C)C)CC1	218103187	CDPXZXUHQDAPIO-UHFFFAOYSA-N	314.430	0.311	70	10	DCIE	
C[C@@H](O)CN(C)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1265036550	GOKKMVUREGNIJY-SECBINFHSA-N	321.374	0.105	70	10	DCIE	
COCC(COC)COCCOCCS(=O)(=O)Cl	2085932989	WYYUXCQZGCXROF-UHFFFAOYSA-N	304.792	0.497	70	10	DCIE	
CC(C)n1c(CCn2cncn2)nnc1S(=O)(=O)Cl	2090394700	VCOYWEVMTLBRHJ-UHFFFAOYSA-N	304.763	0.621	70	10	DCIE	
Cc1cnc(N2CC(CS(C)(=O)=O)C2)c([B-](F)(F)F)c1	2116157293	DYJDXPJARBIJLG-UHFFFAOYSA-N	307.126	0.925	70	10	DCIE	
COC[C@@H]1C[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	2117727220	GHNJOEJLGJRLRX-IONNQARKSA-N	306.771	0.717	70	10	DCIE	
COCCn1c([C@@]23C[C@@H]2[C@H](OC)C3)nnc1S(=O)(=O)Cl	2157485385	DKERXOUXGYQLRN-SOCHQFKDSA-N	321.786	0.528	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@]12CCC[C@@H]1OCC2	2164434922	FVPQCWJYDNMSNV-JQWIXIFHSA-N	306.359	0.208	70	10	DCIE	
O=C(c1ccc([N+](=O)[O-])c(F)c1)N1CC(S(=O)(=O)F)C1	2199698660	PROBZBABUPVPRP-UHFFFAOYSA-N	306.246	0.858	70	10	DCIE	
CC1(C)[C@H]2CO[C@@]1(C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)C2	2289246700	MNPOMEARNVCJEX-KBVBSXBZSA-N	306.359	0.206	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1C[C@@H]2[C@H](C1)CS2(=O)=O	2336397135	JGARBUOSEHGWMA-PSASIEDQSA-N	305.110	0.678	70	10	DCIE	
CN(C[C@H]1C[C@@H]2OCC[C@@H]2O1)c1ncc([B-](F)(F)F)cn1	2355241050	GVGUDTAYOSCIBW-VWYCJHECSA-N	302.085	0.914	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2[C@@H]3CCCO[C@@H]32)c1S(=O)(=O)Cl	2355583607	QXLAKSJCMXVAST-ZKWXMUAHSA-N	319.770	0.553	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1C(=O)c1csc([C@@H](C)N)n1	159546392	XPRHNFYOSCQNGK-PSASIEDQSA-N	312.395	0.140	70	10	DCIE	
CCC[C@H](C(=O)N1CCOC[C@H]1C(=O)NC1CC1)C(N)=S	159783241	HCORPFFUVBBJBP-QWRGUYRKSA-N	313.423	0.195	70	10	DCIE	
O=C(NC[C@@H](O)c1cccc(F)c1)N[C@H]1CCc2ncnn2C1	161024608	GXUHUEHWFVMXLF-QWHCGFSZSA-N	319.340	0.765	70	10	DCIE	
CC(C)[C@@H](O)CC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O	161110909	BBFXDQWYOHGYLJ-NEPJUHHUSA-N	308.382	0.439	70	10	DCIE	
CCN1CCC[C@@H]1CNS(=O)(=O)c1ccsc1CN	217533349	UASUJLQEHYMYLX-SNVBAGLBSA-N	303.453	0.969	70	10	DCIE	
O=C(CN1C(=O)CCC1=O)NC[C@H]1CCCN1c1ccccc1	217810437	JPTVHHVUSWAKHX-CQSZACIVSA-N	315.373	0.921	70	10	DCIE	
CO[C@@H](CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl)C1CC1	378850507	VNPVJWQRDZXNCX-QMMMGPOBSA-N	321.786	0.800	70	10	DCIE	
CCC(=O)N[C@@H](C)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1337473131	QOHCNYHLSBATJN-QMMMGPOBSA-N	319.358	0.660	70	10	DCIE	
CCc1nnsc1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923178048	NCMVWVJQZSBCKK-UHFFFAOYSA-N	319.343	0.166	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2CCC23COC3)c1	1964010707	GOFMBWKVGHEQIW-UHFFFAOYSA-N	321.351	0.508	70	10	DCIE	
Cn1nc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)cc1C(F)F	1968235756	OQUCDAONRGQHRD-ZCFIWIBFSA-N	311.285	0.872	70	10	DCIE	
COc1ccsc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001618	XJDGKWAFLFGGMC-UHFFFAOYSA-N	308.356	0.729	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1snnc1C1CC1	1974055108	MRNBFCUCGKHGJL-UHFFFAOYSA-N	320.371	0.291	70	10	DCIE	
COC[C@@H](C)S(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2028131123	SFZIJHZGFRRDSX-BDAKNGLRSA-N	303.377	0.115	70	10	DCIE	
CC1(CS(C)(=O)=O)CN(CCCCS(=O)(=O)Cl)C1	2052967468	GRBXVCMQTCPTST-UHFFFAOYSA-N	317.860	0.702	70	10	DCIE	
CNC(=O)CCCn1cc(S(=O)(=O)Cl)nc1COC	2125953033	DXMHHFXBYBRDLD-UHFFFAOYSA-N	309.775	0.483	70	10	DCIE	
CO[C@@H]1CC[C@H]1CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2187023775	WWHSMLAGUWRKTP-JGVFFNPUSA-N	322.770	0.692	70	10	DCIE	
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC(CS(=O)(=O)F)C1	2199682271	GVEAKBZGRAHVLO-MRVPVSSYSA-N	308.375	0.295	70	10	DCIE	
CC(C)(C)OC(=O)NC[C@]1(C)CC(=O)N1S(=O)(=O)Cl	704201826	GTBUWEMEFGTKLZ-JTQLQIEISA-N	312.775	0.986	70	10	DCIE	
O=C([C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21)N1CCN(S(=O)(=O)F)CC1	2163657039	VOIADWGCZMPMCO-KKJSVHSVSA-N	302.371	0.637	70	10	DCIE	
COc1cc(NS(N)(=O)=O)ccc1S(=O)(=O)Cl	100643518	CBSVOSYIIFJMRW-UHFFFAOYSA-N	300.745	0.238	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)CCCS(C)(=O)=O)n1	2116129621	JRMRTONMOAYNEA-UHFFFAOYSA-N	310.130	0.710	70	10	DCIE	
C#CCCN[C@@H](C)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1717741181	NXGHTGZVRUGHAA-JTQLQIEISA-N	315.370	0.746	70	10	DCIE	
CC[C@@H](C)NC(=O)Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215929609	TWQBYMPQPOTTPW-ZCFIWIBFSA-N	324.746	0.634	70	10	DCIE	
CNC[C@@H]1COCCN1c1ccccc1S(=O)(=O)N(C)C	160423539	KOJILIATMJMYJC-GFCCVEGCSA-N	313.423	0.362	70	10	DCIE	
CNc1nc(Cl)nc(N2CCOC[C@@H]2C(=O)NC(C)C)n1	160578319	FENFBUYANCCWBF-MRVPVSSYSA-N	314.777	0.297	70	10	DCIE	
CCCN(CC(=O)NC)S(=O)(=O)c1cc(N)cc(C)c1F	159489677	FYFBTTZUFVISGR-UHFFFAOYSA-N	317.386	0.863	70	10	DCIE	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCCCN)c1C	159645445	CDMHAWOEMHMYJN-UHFFFAOYSA-N	303.384	0.435	70	10	DCIE	
CN1C(=O)C[C@@H](n2cc(S(=O)(=O)Cl)nc2C2CC2)C1=O	2152397073	XYXWXRVJTGTBAI-SSDOTTSWSA-N	317.754	0.618	70	10	DCIE	
O=S(=O)(Cl)CCCN1CCC[C@@]12CCS(=O)(=O)C2	2040652887	DHOLMHFHNDQDHM-JTQLQIEISA-N	315.844	0.598	70	10	DCIE	
C[C@@](F)(C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)C(F)(F)F	2271493351	DPADDTWGXQBYJT-IYSWYEEDSA-N	310.244	0.682	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccnn1C1CC1	2287064106	XONNWUWALQKZLO-QMMMGPOBSA-N	302.331	0.236	70	10	DCIE	
CC1(C)CC(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2271508517	ZPLYXZXPQLGWOT-QMMMGPOBSA-N	314.404	0.383	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H](C)[C@H]2CCCO2)c1S(=O)(=O)Cl	115793231	XNFGIHSKQCYBGS-POYBYMJQSA-N	321.786	0.943	70	10	DCIE	
CN1C[C@@H](NS(=O)(=O)c2c(F)cccc2F)CCC1=O	160086645	UKRBHHOOICMMJC-QMMMGPOBSA-N	304.318	0.864	70	10	DCIE	
O=C(NC[C@]1(CCO)CCOC1)C(=O)Nc1cccc(F)c1	160898406	QBGVCUHJNKHQAS-HNNXBMFYSA-N	310.325	0.670	70	10	DCIE	
CCc1[nH]nc(C(=O)N(C)[C@H]2CCOC2)c1S(=O)(=O)Cl	161840273	ZHWKYCXPGFHKID-ZETCQYMHSA-N	321.786	0.761	70	10	DCIE	
CC(C)n1c([C@@H](C)S(C)(=O)=O)nnc1S(=O)(=O)Cl	168026996	NZUHLQPACLNVJV-ZCFIWIBFSA-N	315.804	0.892	70	10	DCIE	
O=C(N[C@H]1C[C@H]2CC[C@H]1O2)c1cc(S(=O)(=O)Cl)c[nH]1	250754336	PYPDNFVWSYPSEJ-KDILMLJESA-N	304.755	0.992	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@]12COC[C@H]1C2	689330233	RKCNZLCHIRTKGW-PRHODGIISA-N	318.782	0.719	70	10	DCIE	
CC#CCNC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1698845669	MYCKKLQJNOKZPO-JTQLQIEISA-N	315.370	0.746	70	10	DCIE	
CC(C)(C)OC(=O)NCC[C@@H]1CN(S(=O)(=O)F)CCO1	1881911021	FCQARPJTNDFTGW-SECBINFHSA-N	312.363	0.816	70	10	DCIE	
O=C1C[C@H](Cn2cc(S(=O)(=O)Cl)nc2C2CCC2)N1	1922272108	NIYNUHBJNLKTQD-MRVPVSSYSA-N	303.771	0.967	70	10	DCIE	
CC(C)(C)OC(=O)NCC[S@](C)(=O)=NS(=O)(=O)F	1953264241	JRGIYQUYXHRVKU-KRWDZBQOSA-N	304.365	0.823	70	10	DCIE	
C#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CC1	1963996871	VANDOMGTAMJYFA-UHFFFAOYSA-N	303.336	0.789	70	10	DCIE	
O=C(Cc1cccc([N+](=O)[O-])c1)N1CC(S(=O)(=O)F)C1	1968216211	UQQNRKXBBMQWFX-UHFFFAOYSA-N	302.283	0.647	70	10	DCIE	
CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](S(=O)(=O)F)C1	1968234860	GKJRAVJOGHWZJI-MNOVXSKESA-N	308.375	0.437	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cnc(F)c(F)c1	1974054551	FMBSCXKQMTWPFF-UHFFFAOYSA-N	309.269	0.236	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CCc1cn(C)nn1	2108150436	FUHGRRZJBSBNSZ-UHFFFAOYSA-N	303.775	0.744	70	10	DCIE	
Cn1c([C@H]2CCn3ccnc3C2)nnc1S(=O)(=O)Cl	2108980377	VOPPNBXAMDEONP-ZETCQYMHSA-N	301.759	0.669	70	10	DCIE	
O=S1(=O)C[C@@H]2[C@@H](CCN2c2ccc([B-](F)(F)F)cn2)C1	2116150813	VVOSAZISYMKGIR-WCBMZHEXSA-N	305.110	0.759	70	10	DCIE	
COCCn1c([C@@H]2[C@@H]3CCO[C@@H]32)nnc1S(=O)(=O)Cl	2119955469	UUKRCAAGRDZNQL-RNJXMRFFSA-N	307.759	0.354	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCO[C@H]3COCC[C@H]32)n1	2172764974	KXYLBAFOCBHCDB-MNOVXSKESA-N	302.085	0.834	70	10	DCIE	
CN(c1ncccc1[B-](F)(F)F)[C@H]1CCN(S(C)(=O)=O)C1	2172784569	PKRGFTOZWRHWQJ-VIFPVBQESA-N	322.141	0.606	70	10	DCIE	
COC[C@H]1CC[C@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C1	2181786199	GOXUVDSPTBASIW-ONGXEEELSA-N	308.375	0.311	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC1CC2(COC2)C1	2182208937	XTFKEXDNNJJJCA-UHFFFAOYSA-N	318.782	0.861	70	10	DCIE	
COCCn1c(Cn2ccnc2C)nnc1S(=O)(=O)Cl	2186052117	ZAKUUBXUZSKYRP-UHFFFAOYSA-N	319.774	0.405	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N(C)C2COCCOC2)n1	2280642607	AXQFZHPWFPMJOS-UHFFFAOYSA-N	305.085	0.996	70	10	DCIE	
C#CCNS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1F	105721338	IIMPYWDWCPVRMO-UHFFFAOYSA-N	311.743	0.665	70	10	DCIE	
CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2NCCc3ccccc32)C1	159397739	WLSHGOZWBAERJD-TZMCWYRMSA-N	323.418	0.024	70	10	DCIE	
O=C(N[C@H]1CC[C@H](O)[C@H](O)CC1)c1cc(S(=O)(=O)F)c[nH]1	1596717170	HTJIEGKNCXTCRH-IJRMOIDVSA-N	320.342	0.067	70	10	DCIE	
CN(Cc1nnn(C)n1)c1ncc([B-](F)(F)F)cc1Cl	1892996967	GRQCQAGBGJDAHZ-UHFFFAOYSA-N	305.480	0.949	70	10	DCIE	
Cc1cc(CS(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)no1	2088468521	CQLDEOLFOGZQPE-VIFPVBQESA-N	312.344	0.186	70	10	DCIE	
CO[C@@H](c1nnc(S(=O)(=O)Cl)n1C)[C@H]1CCCOC1	2093880733	XOWRSBZDEFFKNS-JGVFFNPUSA-N	309.775	0.857	70	10	DCIE	
CO[C@H](C(=O)N1CC(CCS(=O)(=O)F)C1)[C@H]1CCOC1	2199683838	GERXTFNOJJIKSC-QWRGUYRKSA-N	309.359	0.186	70	10	DCIE	
COCC12CC(C(=O)N3CC[C@@H](S(=O)(=O)F)C3)(CO1)C2	2206051351	ZMTGCYCXXOCHFR-OIKLOGQESA-N	307.343	0.082	70	10	DCIE	
O=C(C[C@@H]1CCCOCC1)N[C@@H]1CCN(S(=O)(=O)F)C1	2287065389	MANNEYRBTXFVAJ-GHMZBOCLSA-N	308.375	0.598	70	10	DCIE	
Cc1nccn1[C@@H](C)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287075759	ORWOWIQGPOMJKA-WCBMZHEXSA-N	304.347	0.157	70	10	DCIE	
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([B-](F)(F)F)C1	2342470819	LXHZVDDRYUKNGC-BDAKNGLRSA-N	313.130	0.860	70	10	DCIE	
COCCn1c([C@H]2C[C@@H]3C[C@@H]3CO2)nnc1S(=O)(=O)Cl	2355827045	JNZKNHLUWZZCTH-DJLDLDEBSA-N	321.786	0.950	70	10	DCIE	
CO[C@@H]1CN(c2ncc([B-](F)(F)F)cn2)[C@@H](CF)[C@H]1OC	2366546298	OMXCAWQHBBPMJN-IVZWLZJFSA-N	308.064	0.719	70	10	DCIE	
CCOc1cc(N)cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c1	159708819	OCYZUTUGUAVIPP-CQSZACIVSA-N	312.391	0.975	70	10	DCIE	
CCCCn1ncc(N2CCO[C@@H](CN)C2)c(Cl)c1=O	160063633	HGRXQAQZNUUGPK-JTQLQIEISA-N	300.790	0.861	70	10	DCIE	
Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCC[C@H](C(N)=O)C1	160213314	JNCGKZSUAUSHBT-QWRGUYRKSA-N	314.411	0.359	70	10	DCIE	
CCNCc1ccc(S(=O)(=O)NC[C@]2(OC)CCOC2)o1	161491311	ULRYAOWEAUEQPS-CYBMUJFWSA-N	318.395	0.473	70	10	DCIE	
COCCN(C(=O)NC(F)(F)F)[C@@H]1CCS(=O)(=O)C1	217266930	KHXPKNJCIXOBSS-SSDOTTSWSA-N	304.290	0.351	70	10	DCIE	
Cc1cc(S(=O)(=O)CCS(=O)(=O)Cl)nc(C)c1C#N	396412815	NJYSZZARIZRAFC-UHFFFAOYSA-N	322.795	0.912	70	10	DCIE	
O=c1c2cnn(-c3ccccc3)c2cnn1CCS(=O)(=O)F	883953604	BUKJASIYKBJMNF-UHFFFAOYSA-N	322.321	0.882	70	10	DCIE	
C[C@@H](O)CNC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1319533300	CRFKEKXVILDVAC-RKDXNWHRSA-N	321.374	0.104	70	10	DCIE	
Cn1cc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)ccc1=O	1915583365	IFNNLVRIRREYCZ-SNVBAGLBSA-N	302.327	0.289	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)[nH]1	1923158565	QYMCQSQQJYXGMJ-XLPZGREQSA-N	303.315	0.006	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1CCOC2(CC2)C1	2112011102	ZCJNTVQPDLDYQW-UHFFFAOYSA-N	304.755	0.947	70	10	DCIE	
CC(C)CO[C@H](C)Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2165514420	UOJYWRCKAXGGHG-MRVPVSSYSA-N	324.786	0.938	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCO[C@@H]([C@H]3CCCO3)C2)nc1	2172774985	VOEIPQZYWUYVLL-GHMZBOCLSA-N	302.085	0.915	70	10	DCIE	
CN1CCO[C@H](C(=O)Nc2ccccc2S(=O)(=O)F)C1	2187818097	YZZWEJOVWSBYOC-JTQLQIEISA-N	302.327	0.614	70	10	DCIE	
CC(F)(F)c1cc(C(=O)NC2CN(S(=O)(=O)F)C2)no1	2284150073	GMEJBWUZPMHFSE-UHFFFAOYSA-N	313.257	0.415	70	10	DCIE	
Cc1nn(CCS(C)(=O)=O)c(Cl)c1S(=O)(=O)Cl	126374980	ZUCHDTZMKYRBPZ-UHFFFAOYSA-N	321.207	0.817	70	10	DCIE	
C[C@](O)(Cc1ccc(F)cc1)[C@]1(CN)CCS(=O)(=O)C1	159423969	UMLLBUWIRUZXON-KBPBESRZSA-N	301.383	0.883	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCC[C@H]2CN(C)C)cc1N	159618489	KYNHFQNPNQGOHN-LBPRGKRZSA-N	312.439	0.707	70	10	DCIE	
CCNCC1CCN(c2cnn(CCO)c(=O)c2Cl)CC1	159821560	IVTOKXAQJMJWSG-UHFFFAOYSA-N	314.817	0.715	70	10	DCIE	
COc1ccccc1N1C[C@@H](C(=O)NC2(CO)CC2)CC1=O	160253311	VTRBTTBSNIPKLR-NSHDSACASA-N	304.346	0.689	70	10	DCIE	
O=C(NC1CC1)[C@@H]1COCCN1c1nc(Cl)nnc1Cl	160279456	ZSUUNKVBJOLCIO-ZETCQYMHSA-N	318.164	0.662	70	10	DCIE	
CCn1cnnc1[C@@H]1CCCN([C@@H](C)C(=O)NCC(=O)OC)C1	161282347	DTPQZKIEGGGGOY-NWDGAFQWSA-N	323.397	0.155	70	10	DCIE	
CN(C)S(=O)(=O)NC[C@@H]1CCCN(c2nccs2)C1	218188899	NOOVVZRXWFJEBR-JTQLQIEISA-N	304.441	0.756	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1ccc(C(N)=S)cc1	218200521	DPGMXRJBZGEPMK-UHFFFAOYSA-N	315.420	0.077	70	10	DCIE	
Cn1cnnc1Cn1cc(S(=O)(=O)Cl)nc1C1CC1	704278614	DZXAIEQTRJWQSG-UHFFFAOYSA-N	301.759	0.865	70	10	DCIE	
Cn1cc(C(=O)Nc2ncc(S(=O)(=O)F)s2)nc1O	1543644184	JFMMETXLCDOZGA-UHFFFAOYSA-N	306.300	0.493	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nc2c(s1)CCC2	1942527448	SBYHIMHYTCHEGL-UHFFFAOYSA-N	315.825	0.974	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)Cl)CC[C@@H]1NC(=O)C(F)(F)F	1953572334	BYQSICDADGPABC-RITPCOANSA-N	308.709	0.859	70	10	DCIE	
Cc1nc[nH]c1S(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2093398394	MGPMEYAHMNYMIT-UHFFFAOYSA-N	311.360	0.171	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1OCC[C@H]1F	2122533292	SYSINPNANUIWQO-RITPCOANSA-N	312.706	0.003	70	10	DCIE	
COc1nc(N(C)[C@@H]2COC[C@H]2OC)ncc1[B-](F)(F)F	2177286286	YPQYCUWERUOYHF-RKDXNWHRSA-N	306.073	0.390	70	10	DCIE	
CC(F)(F)C1(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CC1	2271502927	MDVGTUOVDZNPRV-SSDOTTSWSA-N	300.302	0.827	70	10	DCIE	
C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1c1ncncc1[B-](F)(F)F	2279413643	HANBLYRVGWRZJZ-RKDXNWHRSA-N	322.141	0.933	70	10	DCIE	
CC(=O)c1c[nH]c(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1	2287067892	FVDSGPZZWVDSBL-VIFPVBQESA-N	303.315	0.236	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)C[C@H]2CCO2)c1S(=O)(=O)Cl	2341217118	VFJPVNPVAHWICE-SSDOTTSWSA-N	307.759	0.507	70	10	DCIE	
O=C(Cn1cc(S(=O)(=O)Cl)cn1)NCC(F)(F)F	127438669	WHCVIZWCGPQBHG-UHFFFAOYSA-N	305.665	0.489	70	10	DCIE	
O=S1(=O)C[C@@H](NCCc2cccc3cccnc23)[C@@H](O)C1	159390965	WFPWAZGDPSFIQA-KGLIPLIRSA-N	306.387	0.525	70	10	DCIE	
O=C(NC1CC1)[C@@H]1COCCN1C(=O)c1ccnc(Cl)c1	159514546	RPHIAXUKSZAGHV-NSHDSACASA-N	309.753	0.855	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1c1cccc(C(N)=S)n1	159811830	MOOQEOYKRJOYMG-NSHDSACASA-N	308.407	0.446	70	10	DCIE	
C[C@@H](NC[C@H]1CCCS1(=O)=O)C(=O)NCC(F)(F)F	159836127	MKQVDPOYHHITNI-HTQZYQBOSA-N	302.318	0.220	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2c(C)cccc2N)CCOC1	159895649	MSAIMYWXTYDDLP-ZDUSSCGKSA-N	300.380	0.661	70	10	DCIE	
O=C(NC[C@@]1(CCO)CCOC1)c1ncn(-c2ccccc2)n1	160221371	VGLSYUHRWFGPMI-MRXNPFEDSA-N	316.361	0.786	70	10	DCIE	
CCCN(CC(=O)NC)C(=O)CCc1cccc(C(=O)NC)c1	160297590	RUQHAEPUQRKIIH-UHFFFAOYSA-N	319.405	0.963	70	10	DCIE	
C[C@@H](CO)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1	160400757	BTZHVNNZRIRFLO-DTWKUNHWSA-N	304.368	0.277	70	10	DCIE	
NN[C@@H]([C@@H]1CCCCS1(=O)=O)[C@@H]1CCO[C@@]2(CCOC2)C1	217490940	VBRICLRJXRLTPN-RQJABVFESA-N	318.439	0.371	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2O)cc1	1614994803	IVNNQUAQUXEQTK-MNOVXSKESA-N	323.367	0.537	70	10	DCIE	
COCC1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CCC1	1974394666	MYWDBMDWUQUHRX-UHFFFAOYSA-N	308.375	0.598	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2CC(CS(C)(=O)=O)C2)n1	2116136058	CRAZKBRXEIVPJD-UHFFFAOYSA-N	307.126	0.925	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@@H](C)C(=O)N(C)C	2125953301	HZAPOBGQOHMHTE-ZETCQYMHSA-N	309.775	0.606	70	10	DCIE	
CCCn1c(C2COCCOC2)nnc1S(=O)(=O)Cl	2138823946	KCPUZSRDGOBORY-UHFFFAOYSA-N	309.775	0.746	70	10	DCIE	
Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](S(=O)(=O)F)C1	2144733901	VEWXROVJJKGAFK-JTQLQIEISA-N	303.359	0.859	70	10	DCIE	
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H](S(=O)(=O)F)C1	2144734283	ZDCVDFQAQSQWHK-ZETCQYMHSA-N	305.287	0.827	70	10	DCIE	
Cc1ncnc(N2CCO[C@@H](CN(C)C)C2)c1[B-](F)(F)F	2172758241	NCRDUPOOLDOHCV-JTQLQIEISA-N	303.117	0.606	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1[C@H]2CCCO[C@H]21	2176466955	UJIYLMSFSSDFTL-GMTAPVOTSA-N	306.359	0.206	70	10	DCIE	
COCCn1c(C[C@H]2CCO[C@H]2C)nnc1S(=O)(=O)Cl	2196352231	JABPNLAZCARSAI-DTWKUNHWSA-N	323.802	0.820	70	10	DCIE	
Cc1cnc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c([B-](F)(F)F)c1	2336404446	GJKCYKYGHSIPNR-PSASIEDQSA-N	305.110	0.678	70	10	DCIE	
NS(=O)(=O)c1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1	105764355	RUPMKVAIOHZYJQ-UHFFFAOYSA-N	300.701	0.170	70	10	DCIE	
C[C@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)[S@@](C)=O	1346928689	CPOWUFVIASYXIB-LWESTGQBSA-N	310.372	0.560	70	10	DCIE	
O=C(N[C@@H]1C[C@H]1[C@H]1CCCO1)c1cc(S(=O)(=O)F)c[nH]1	1639402052	GXMHAWOONSEKPJ-FXPVBKGRSA-N	302.327	0.970	70	10	DCIE	
Cn1nnc2cc(C(=O)NC[C@H](O)CN3CCCCC3)ccc21	160538879	LXICBCMZRLMENZ-ZDUSSCGKSA-N	317.393	0.545	70	10	DCIE	
NC(=O)NCc1ccc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)cc1	159817458	UZDZZTRJJIDMTI-OKILXGFUSA-N	302.378	0.821	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1ccc(OC)c(N)c1	218136205	HALXWVJRLSFHAZ-UHFFFAOYSA-N	301.368	0.034	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ccc(Cl)nn2)[nH]1	1923162464	VZZBTIHLCBDHQA-UHFFFAOYSA-N	319.705	0.196	70	10	DCIE	
O=C([C@@H]1COCCC1(F)F)N1CCC[C@H](S(=O)(=O)F)C1	1973212429	HSWWFUKDWXQSCE-IUCAKERBSA-N	315.313	0.949	70	10	DCIE	
Cc1ccc(C(=O)NCC2CN(S(=O)(=O)F)C2)c(C)n1	1974055841	WXRHCEMNUCPQHT-UHFFFAOYSA-N	301.343	0.574	70	10	DCIE	
CCC[C@H](C(=O)N1CCOC[C@H]1C(=O)NCC)C(N)=S	159774855	YRIDQBFBACQAMY-UWVGGRQHSA-N	301.412	0.052	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1ncn(C)c1Cl	161498808	QZFDPDLLTNDZFO-UHFFFAOYSA-N	323.802	0.236	70	10	DCIE	
C[C@@H](C(=O)N1CCN(S(=O)(=O)F)CC1)[C@@H]1CCCCO1	2163667819	QJRXPFMXRRDPTR-MNOVXSKESA-N	308.375	0.550	70	10	DCIE	
CC(C)n1c([C@H]2Cc3nncn3C2)nnc1S(=O)(=O)Cl	2167745664	KEIMPBCTZZAISY-ZETCQYMHSA-N	316.774	0.718	70	10	DCIE	
COc1cc(OC)c(-c2nnc(S(=O)(=O)Cl)n2C)cn1	2177509182	XSVXPWHVDGFIRZ-UHFFFAOYSA-N	318.742	0.822	70	10	DCIE	
CN1CC[C@@H]2OCCN(c3ncncc3[B-](F)(F)F)[C@@H]2C1	2185498298	WPETVTYFUHFBJW-MNOVXSKESA-N	301.101	0.440	70	10	DCIE	
N#Cc1ccc(CS(=O)(=O)N2CC(S(=O)(=O)F)C2)cc1	2199691894	GDZGRURTHHFCOW-UHFFFAOYSA-N	318.351	0.372	70	10	DCIE	
C[C@H]1C[C@H]1CS(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	2108443356	HIHUMWNSASYTOS-BQBZGAKWSA-N	311.360	0.476	70	10	DCIE	
CCCCN(C)S(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2088468729	FQDHIPXEQVEDCB-UHFFFAOYSA-N	316.420	0.727	70	10	DCIE	
CCn1c([C@H]2CN(C)CCN2C)nnc1S(=O)(=O)Cl	2099567317	YRAMENDUJDJJCO-MRVPVSSYSA-N	307.807	0.144	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cnn(C2CC2)c1	2287064966	HVFRWZVBALAXSE-SECBINFHSA-N	302.331	0.236	70	10	DCIE	
NC(=O)NC(=O)COc1ccc(F)cc1S(=O)(=O)Cl	215671876	PGRLAWWUTNACMQ-UHFFFAOYSA-N	310.690	0.327	70	10	DCIE	
CC(C)[C@H]1CC[C@@H](O)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217973525	DAVRTQUTAMZSPG-RRFJBIMHSA-N	318.483	0.997	70	10	DCIE	
Cc1nc(Br)cc(NCCNS(C)(=O)=O)n1	160582214	YICNUFJBIZXHGK-UHFFFAOYSA-N	309.189	0.509	70	10	DCIE	
CSC1CCC(C(=O)NC2CN(S(=O)(=O)F)C2)CC1	2268806308	SYAZPMLXARHODX-UHFFFAOYSA-N	310.416	0.923	70	10	DCIE	
CS(=O)(=O)C[C@H]1CCN(CCCS(=O)(=O)Cl)C1	1940304588	SJROISFMVFOAQE-VIFPVBQESA-N	303.833	0.312	70	10	DCIE	
CC(C)(C)NS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2028132038	XYOKQGROKZHGDE-QMMMGPOBSA-N	302.393	0.383	70	10	DCIE	
CCO[C@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C1	2174880161	IQGODSZFFZVLQF-QWRGUYRKSA-N	308.375	0.550	70	10	DCIE	
COCCn1c([C@@]23CCOC[C@H]2C3)nnc1S(=O)(=O)Cl	2194442391	DKNKKLKTXBYAFQ-LDYMZIIASA-N	321.786	0.530	70	10	DCIE	
O=C(O)c1ccc(O[C@@H]2CCNC2=O)c(S(=O)(=O)F)c1	2191426063	KURALNNYMYTWNG-MRVPVSSYSA-N	303.267	0.310	70	10	DCIE	
O=C(c1ccc([N+](=O)[O-])cc1F)N1CC(S(=O)(=O)F)C1	2199682297	HJSJOUSOZYNXOB-UHFFFAOYSA-N	306.246	0.858	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)c2cncc(F)c2)C1	2088468899	HLTMJMWSAVSSPW-QMMMGPOBSA-N	312.319	0.283	70	10	DCIE	
CO[C@@H]1C[C@@H](C(=O)NC2CN(S(=O)(=O)F)C2)C12CCC2	2284152164	XVBRCWVXXMFCRW-VHSXEESVSA-N	306.359	0.206	70	10	DCIE	
Cc1cccnc1CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287074422	FJOCCFYXKILXSB-JTQLQIEISA-N	301.343	0.337	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1c1ccc(C(N)=S)cn1	159811554	DHQDTINGKLRDJQ-NSHDSACASA-N	308.407	0.446	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1c1ncnc(Cl)c1CO	160087164	YRTWPBDGRJAIID-SNVBAGLBSA-N	314.773	0.354	70	10	DCIE	
COc1ccc(N2C[C@@H](C(=O)NC3(CO)CC3)CC2=O)cc1	160217060	RERWGKVHDVRZIU-NSHDSACASA-N	304.346	0.689	70	10	DCIE	
N[C@@H]1CCC[C@@H](CCC(=O)N[C@@H]2CCCS(=O)(=O)C2)C1	161035095	BYZUJDDPMVBKPK-YNEHKIRRSA-N	302.440	0.978	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1cc(C(F)F)ncn1	724650440	CRMRGPCLIMYXRS-UHFFFAOYSA-N	320.726	0.757	70	10	DCIE	
C[C@]1(c2ccsc2)NC(=O)N(CCS(=O)(=O)F)C1=O	883952921	ATPCZSJFBRMJTL-SNVBAGLBSA-N	306.340	0.814	70	10	DCIE	
C[C@@H](O)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1263854776	PJXPRPYPVBZLRV-MRVPVSSYSA-N	304.343	0.906	70	10	DCIE	
C=CCN[C@@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1282193149	PLMIKRCZCQPSQH-DTWKUNHWSA-N	303.359	0.955	70	10	DCIE	
CONC(=O)CNC(=O)c1ccc(S(=O)(=O)F)cc1C	1463155052	BWWIVLUOPTXBRP-UHFFFAOYSA-N	304.299	0.061	70	10	DCIE	
C#CCNC[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1723939684	KHTBEXRJANWRBS-JTQLQIEISA-N	313.354	0.500	70	10	DCIE	
N#CC1CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	1963989705	WGMMDEMZIQVGPS-UHFFFAOYSA-N	304.324	0.489	70	10	DCIE	
CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H](S(=O)(=O)F)C1	1968234859	GKJRAVJOGHWZJI-GHMZBOCLSA-N	308.375	0.437	70	10	DCIE	
O=C(CC(F)(F)C(F)F)N1CCN(S(=O)(=O)F)CC1	1974015766	XPQZUKDDWCHDSC-UHFFFAOYSA-N	310.244	0.635	70	10	DCIE	
Cc1ocnc1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2097657247	HBXRXCNGGHHEOI-UHFFFAOYSA-N	305.699	0.221	70	10	DCIE	
CN(CC(C)(C)S(C)(=O)=O)c1ncncc1[B-](F)(F)F	2116145700	QOYZFXKNPXUUFT-UHFFFAOYSA-N	310.130	0.790	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C[C@@H]2C(F)(F)F)[nH]1	2156846371	WPJNJGBAOKQIAZ-WHFBIAKZSA-N	315.248	0.637	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCS(=O)(=O)[C@@H](C)[C@H]2C)n1	2172757409	AXSKTNKPWTWGMX-SFYZADRCSA-N	322.141	0.851	70	10	DCIE	
Cc1nc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)ncc1[B-](F)(F)F	2172765609	UGUCBEVOTPOBET-RKDXNWHRSA-N	320.125	0.320	70	10	DCIE	
Cc1nc(OCCCN2CCOCC2)ncc1[B-](F)(F)F	2175867113	ZUCUNRYTNONSQZ-UHFFFAOYSA-N	304.101	0.941	70	10	DCIE	
COc1nn(CCN(C)C2CC2)c(OC)c1S(=O)(=O)Cl	2193700412	GBHVXVPIGXPIQJ-UHFFFAOYSA-N	323.802	0.922	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCOCCF	2224103730	JZZRWTDTOMITKM-UHFFFAOYSA-N	300.739	0.943	70	10	DCIE	
CC(C)(C)c1nnsc1C(=O)NC1CN(S(=O)(=O)F)C1	2284150183	HUBYQTWUBJGNRO-UHFFFAOYSA-N	322.387	0.464	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)c1c(N)cccc1F	159845981	GWGVRBNALXLABL-UHFFFAOYSA-N	303.359	0.601	70	10	DCIE	
Cc1cccc2[nH]c(CNC(=O)CN3CC(=O)NC3=O)nc12	160440927	IVCBMNKZQZRFNF-UHFFFAOYSA-N	301.306	0.039	70	10	DCIE	
COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H](N(C)C)C1)CC2	160800731	FEUFUFUBDSMOLT-RYUDHWBXSA-N	322.413	0.085	70	10	DCIE	
CCCNC(=O)[C@@H](C)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215917100	WKCFBMMLXGTMJK-ZCFIWIBFSA-N	324.746	0.806	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(Cl)cc(N)c1C	218122041	GGLAEKRRTCDDQO-UHFFFAOYSA-N	319.814	0.987	70	10	DCIE	
CCCN(CCO)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1266571249	MOHOZNZNZDZWPJ-UHFFFAOYSA-N	321.374	0.107	70	10	DCIE	
O=C(NC[C@@]12CCCN(CC1)C2)c1cc(S(=O)(=O)F)c[nH]1	1352413039	RVEVMOZTLCYWMJ-CYBMUJFWSA-N	315.370	0.889	70	10	DCIE	
O=C(O)c1cc(OS(=O)(=O)F)cc(N2CCNCC2)c1	1887577424	NWJGBCWHRYTFBY-UHFFFAOYSA-N	304.299	0.388	70	10	DCIE	
O=C(c1cccc(OC(F)F)n1)N1CC(S(=O)(=O)F)C1	1972981757	VBMPREYRVRVBHV-UHFFFAOYSA-N	310.253	0.807	70	10	DCIE	
CC(C)(C)S(=O)(=O)C[C@]1(C)CC(=O)N1S(=O)(=O)Cl	2051044554	SEHQXBSXPHVMRK-VIFPVBQESA-N	317.816	0.674	70	10	DCIE	
O=[N+]([O-])c1nn(CC2[C@H]3COC[C@H]23)cc1S(=O)(=O)Cl	2132391581	AJKADCDGKNYIEM-RNFRBKRXSA-N	307.715	0.611	70	10	DCIE	
O=C(N1CC(CS(=O)(=O)F)C1)C(F)(F)[C@H]1CCOC1	2134989995	NYTZRGJBTBFVPC-QMMMGPOBSA-N	301.286	0.416	70	10	DCIE	
CCCc1nc(C(=O)N2CCC(S(=O)(=O)F)CC2)n[nH]1	2144733547	RFLVYZAVKLLULI-UHFFFAOYSA-N	304.347	0.661	70	10	DCIE	
Cc1ncnc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)c1[B-](F)(F)F	2172766016	ZUNJOGXRMAWOAY-RKDXNWHRSA-N	320.125	0.463	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@]1(OC)CCOC1	2182345371	XROJTZBSJZXYEH-LLVKDONJSA-N	324.786	0.763	70	10	DCIE	
O=S(=O)(NC1CN(S(=O)(=O)F)C1)C1CC2(CCC2)C1	2268779447	ZZBGLFLUVSFREC-UHFFFAOYSA-N	312.388	0.137	70	10	DCIE	
CC(F)(F)[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271488373	DRGJFXAYPCRCCY-XLPZGREQSA-N	300.302	0.683	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCCSCC1	2271502397	JDMZCGOIJZRLLR-VHSXEESVSA-N	310.416	0.925	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1C[C@H]1C1CCOCC1	2284143082	SPCYCJCKJGDBER-QWRGUYRKSA-N	306.359	0.064	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CCC[C@@H]1C(F)(F)F	2284150486	KACWXISGJJIFMN-SFYZADRCSA-N	318.292	0.980	70	10	DCIE	
O=S(=O)(C=Cc1ccccc1)NC1CN(S(=O)(=O)F)C1	2284152174	YALMUHCCYYVQQZ-UHFFFAOYSA-N	320.367	0.475	70	10	DCIE	
C[C@H](NC1CCS(=O)(=O)CC1)C(=O)NCC(F)(F)F	159777115	KWABKWUEEBQYCQ-ZETCQYMHSA-N	302.318	0.220	70	10	DCIE	
CN(C)S(=O)(=O)CCCN1CC[C@@]2(O)CCCC[C@@H]2C1	161145616	FORTYSRSHCXAKR-KGLIPLIRSA-N	304.456	0.895	70	10	DCIE	
CCNC(=O)CN(CC)C(=O)c1cc(S(C)(=O)=O)cs1	161503639	ZCMQEVFKIBIVLM-UHFFFAOYSA-N	318.420	0.750	70	10	DCIE	
CCc1nn([C@@H]2CCNC2=O)c(CC)c1S(=O)(=O)Cl	691827714	ADFAUUMECXUMPQ-SECBINFHSA-N	305.787	0.996	70	10	DCIE	
CC(=O)N[C@@H](C(=O)Nc1ncc(S(=O)(=O)F)s1)C(C)C	1534602893	BHZHDKSVQNAWOC-MRVPVSSYSA-N	323.371	0.901	70	10	DCIE	
O=S(=O)(N1CC[C@H](O)C1)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	1879798255	ZIACKHRAGWJTHA-GUBZILKMSA-N	313.130	0.611	70	10	DCIE	
Cn1c(C(F)(F)[C@@H]2CCOC2)nnc1S(=O)(=O)Cl	2065522583	BPCGFTXTTCIQPN-RXMQYKEDSA-N	301.702	0.871	70	10	DCIE	
CC(=O)N1CCC(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)CC1	2144733595	RQWJTOHTTPUAGI-LLVKDONJSA-N	306.359	0.145	70	10	DCIE	
CCCS(=O)(=O)NC1CN(c2ccc([B-](F)(F)F)cn2)C1	2172776313	NSIOKCASPZTVOD-UHFFFAOYSA-N	322.141	0.654	70	10	DCIE	
CN(C)CCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)F	2241372894	GFFAUDZJZQOYPF-UHFFFAOYSA-N	313.395	0.589	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cc(F)ccc1O	2287066724	CNYYWOHLTLEEME-MRVPVSSYSA-N	306.290	0.550	70	10	DCIE	
CCn1nc(C)cc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287069333	AYBSIMQLHJHFLE-SECBINFHSA-N	304.347	0.230	70	10	DCIE	
CC1(C)[C@H]2CO[C@]1(C(=O)N1CCN(S(=O)(=O)F)CC1)C2	2359849188	BUCYDDIMMKCDGK-SKDRFNHKSA-N	306.359	0.160	70	10	DCIE	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)F)CCO1	1954657625	ZEAGPIZGFQJHIZ-RKDXNWHRSA-N	312.363	0.815	70	10	DCIE	
CS(=O)(=O)N1CCC[C@@H](C[C@@H](NN)c2cncc(F)c2)C1	217366045	ITOVYELWMRZQJI-GXFFZTMASA-N	316.402	0.787	70	10	DCIE	
C#CCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1CCC	215834421	ZRGIRPFHSNQMFS-UHFFFAOYSA-N	303.771	0.513	70	10	DCIE	
CCC(=O)N[C@H](C)C(=O)Nc1ncc(S(=O)(=O)F)s1	1132039194	PCBHBGCRDXCFLZ-RXMQYKEDSA-N	309.344	0.655	70	10	DCIE	
CNC(=O)CCNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	1162211053	PJNKREBADDBLSN-UHFFFAOYSA-N	319.314	0.942	70	10	DCIE	
N#CCNC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1269116236	QHQFUAVEKKDMGQ-NSHDSACASA-N	314.342	0.294	70	10	DCIE	
CN(CCS(=O)(=O)N(C)C)c1ncccc1[B-](F)(F)F	2116146001	PVAQVNLLZYLDRN-UHFFFAOYSA-N	310.130	0.464	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(C2CC2)CC1	1527566416	TVDJMVFBWZKARU-UHFFFAOYSA-N	301.343	0.593	70	10	DCIE	
CN1C[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1	1520006930	LRKBBWYKMNNGEP-KWQFWETISA-N	301.343	0.449	70	10	DCIE	
CC(C)(C)S(=O)(=O)CC(=O)NCc1nnc2n1CCCC2	160847654	QBPXZGRDFFIYNX-UHFFFAOYSA-N	314.411	0.444	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1C(=O)[C@@H](C(N)=S)C(C)C	159785789	XBKSSEPXCUJRKF-WDEREUQCSA-N	315.439	0.297	70	10	DCIE	
Cc1noc(C)c1S(=O)(=O)N1CC(CS(=O)(=O)F)C1	2134975926	GESDRJQQAMIGFH-UHFFFAOYSA-N	312.344	0.211	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2nccnc2Cl)[nH]1	1923142339	APCJFDJCSQEKSQ-UHFFFAOYSA-N	319.705	0.196	70	10	DCIE	
O=C(COc1ccc(F)cc1)N1CC(CS(=O)(=O)F)C1	1968216361	XNTPJXIWUYZLBJ-UHFFFAOYSA-N	305.302	0.962	70	10	DCIE	
COc1nn(C)cc1C(=O)N1CCC[C@H](S(=O)(=O)F)C1	1968235933	QPGGLVDWNAZTLF-QMMMGPOBSA-N	305.331	0.333	70	10	DCIE	
CN1CCO[C@H]2CN(C(=O)c3cc(Br)c[nH]3)C[C@@H]21	159730172	CAXCHUROBRKNHD-QWRGUYRKSA-N	314.183	0.932	70	10	DCIE	
CO[C@]1(C)CCN(C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	380513688	HCFGIDTXUQAJLN-LLVKDONJSA-N	321.786	0.897	70	10	DCIE	
C[C@H]1OCC[C@H]1CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2196505735	VPRYKACDXCRDLT-HTQZYQBOSA-N	322.770	0.692	70	10	DCIE	
CCc1c(C(=O)N2CC(CCS(=O)(=O)F)C2)nnn1C	2199690044	VNCFDQYDKIDQPP-UHFFFAOYSA-N	304.347	0.139	70	10	DCIE	
COc1nn(CCC2COC2)c(OC)c1S(=O)(=O)Cl	2104669127	RNRVCBGRMTZSFO-UHFFFAOYSA-N	310.759	0.864	70	10	DCIE	
Cc1ncnc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)c1C	2206520378	LHCWFQYSUMAWIZ-JTQLQIEISA-N	301.343	0.997	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccc(F)c(O)c1	2287067364	GEWMCZBYXQKBSV-MRVPVSSYSA-N	306.290	0.550	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@]12CCC[C@H]1CSC2	2287069200	PNXOXLZRCNFAAD-UMNHJUIQSA-N	322.427	0.925	70	10	DCIE	
C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(S(=O)(=O)F)C1	1897482198	SQKFDOPTHIYBQZ-VIFPVBQESA-N	322.358	0.576	70	10	DCIE	
O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(S(=O)(=O)F)c[nH]1	1339033433	HHABXMLNJYKVQC-XLDPMVHQSA-N	318.326	0.207	70	10	DCIE	
CN1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@H]21	1520301813	AOKHFWIWVATSSU-BXKDBHETSA-N	315.370	0.839	70	10	DCIE	
COCCN[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1567054163	LNWGUNDSDWRVPU-MRVPVSSYSA-N	307.347	0.027	70	10	DCIE	
COCCNC/C=C\CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1699311669	RUYHNDCZXCMRPS-IHWYPQMZSA-N	319.358	0.195	70	10	DCIE	
COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1OCC[C@@H]1C	160269966	DVSXQUFEPCXGBQ-QPUJVOFHSA-N	314.363	0.706	70	10	DCIE	
CC(C)CN(CC(N)=O)C(=O)c1ccc(-n2cncn2)cc1	159766155	NPJLUYFSPNIIJA-UHFFFAOYSA-N	301.350	0.851	70	10	DCIE	
COC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCC[C@@H]2C)C1	218055100	HOWILNAFMJVSTG-NWDGAFQWSA-N	304.412	0.991	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CC(F)(F)C2)cc1	1917262366	PVEPQMAHZJPMTL-UHFFFAOYSA-N	315.294	0.984	70	10	DCIE	
CCn1nnc(C(=O)N2CCC(S(=O)(=O)F)CC2)c1C	1923533586	SMBWBYYJQCXKKL-UHFFFAOYSA-N	304.347	0.510	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nnc(C2CC2)o1	1945078796	CGBXYQRQWUWSNV-UHFFFAOYSA-N	300.745	0.289	70	10	DCIE	
CC(C)c1[nH]nc(C(=O)NCC2COC2)c1S(=O)(=O)Cl	2154131354	JTDUKZDCYMYAMQ-UHFFFAOYSA-N	321.786	0.837	70	10	DCIE	
COc1cscc1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2156355529	SFZNYMQGKHEQOI-UHFFFAOYSA-N	319.339	0.823	70	10	DCIE	
Cc1ncnc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)c1[B-](F)(F)F	2172768785	NNQHDNPVBZGXDG-MRVPVSSYSA-N	322.141	0.851	70	10	DCIE	
C#CCNC(=O)COc1c(F)cc(F)cc1S(=O)(=O)F	2191425504	FTQSDTXMWSDJOU-UHFFFAOYSA-N	307.249	0.751	70	10	DCIE	
O=C(COCC(F)(F)F)N1CCC[C@H](S(=O)(=O)F)C1	2088473054	WYJLXYVPJSWHLU-ZETCQYMHSA-N	307.265	0.856	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ccc2cccnc2n1	2226625019	HEIJQWMZQDABOU-UHFFFAOYSA-N	320.779	0.972	70	10	DCIE	
Cc1noc(C)c1CCC(=O)NC1CN(S(=O)(=O)F)C1	2284149282	AJCOLNREMFCKEG-UHFFFAOYSA-N	305.331	0.239	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C1CC2(CCCO2)C1	2287065818	RBJOVCGQIPVEFU-YZRBJQDESA-N	306.359	0.350	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)C[C@H]2CCCCO2)C1	2338748888	DKPBDQSLXFEPLH-ZJUUUORDSA-N	315.388	0.259	70	10	DCIE	
CCCNC(=O)c1ccc(N2CCS(=O)(=O)[C@H](C)C2)nc1	160738966	MIKYFTSSDHHHEW-LLVKDONJSA-N	311.407	0.845	70	10	DCIE	
Cc1cc(OC[C@@H](O)CNCCNC(N)=O)ccc1Cl	160964329	ANRYARHLZBQDLX-JTQLQIEISA-N	301.774	0.646	70	10	DCIE	
COC1(CCn2cc(S(=O)(=O)Cl)c(O)nc2=O)CCC1	383891301	JSTQMAZIEDGKJE-UHFFFAOYSA-N	322.770	0.836	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2COC[C@@H]2F)c1S(=O)(=O)Cl	1875999989	NGGMIWBTXQYUID-WDSKDSINSA-N	311.722	0.112	70	10	DCIE	
O=C([C@@H]1CC[C@H]2[C@H]1C2(F)F)N1CCN(S(=O)(=O)F)CC1	1974014143	FNUADODDFSPWQD-VGMNWLOBSA-N	312.313	0.636	70	10	DCIE	
CCCc1nnc(S(=O)(=O)CCS(=O)(=O)Cl)s1	2024953906	OCZOOAMBVWLKKE-UHFFFAOYSA-N	318.829	0.833	70	10	DCIE	
C[C@@H]1CCO[C@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2096143718	RDLMOIWXQLMQJQ-RQJHMYQMSA-N	308.743	0.301	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)c2ccccc2)C1	2134973513	RRGCYVXJSSAGIZ-UHFFFAOYSA-N	307.368	0.997	70	10	DCIE	
COc1ccc(CC(=O)NC2COC2)cc1S(=O)(=O)Cl	2165339869	HBLWDKATIOUXCQ-UHFFFAOYSA-N	319.766	0.680	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)C[C@H]2CCCS2(=O)=O)n1	2172767322	SGOCDPKKOWRBDI-SECBINFHSA-N	322.141	0.853	70	10	DCIE	
CC(=O)c1c[nH]c(C(=O)N2CC(CCS(=O)(=O)F)C2)c1	2199690478	XPTTZWMDINTQFW-UHFFFAOYSA-N	302.327	0.979	70	10	DCIE	
COCc1cc(C(=O)NC2COC2)cc(S(=O)(=O)Cl)c1	2165346237	SCOMMOBWGVUCFM-UHFFFAOYSA-N	319.766	0.889	70	10	DCIE	
C[C@H](C(=O)Nc1ncc(S(=O)(=O)F)s1)S(C)(=O)=O	1534595549	KYEGDNSVZHHOFV-SCSAIBSYSA-N	316.357	0.173	70	10	DCIE	
C#CCN(CCC)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1713550563	GWPLZVMTUXVQKK-UHFFFAOYSA-N	315.370	0.748	70	10	DCIE	
Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCC(=O)N(C)C1	160078881	AQDHBHUVPPFRRY-QMMMGPOBSA-N	320.802	0.281	70	10	DCIE	
COc1ccccc1[C@H](O)CNS(=O)(=O)Cc1ccon1	159367487	CFLJRMAGKZUPII-GFCCVEGCSA-N	312.347	0.836	70	10	DCIE	
CN1CCCC[C@@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2146232446	ABSFQDRPBJZSGK-MRVPVSSYSA-N	321.786	0.361	70	10	DCIE	
O=C(C[C@@H]1CN2CCC1CC2)N1CC[C@@H](S(=O)(=O)F)C1	2151301543	VGNUXKMTZUFUFW-VXGBXAGGSA-N	304.387	0.619	70	10	DCIE	
Cc1nc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)cs1	2022182935	KNQBAPJCIGARJK-UHFFFAOYSA-N	300.358	0.124	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCO[C@@H]([C@@H]2CCCO2)C1	2172775517	CYGNXXVDBCGBLO-WDEREUQCSA-N	302.085	0.915	70	10	DCIE	
Cc1cncc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)c1	2088472058	MYYIZQZAEXSFBS-SECBINFHSA-N	308.356	0.452	70	10	DCIE	
O=C1N[C@H](C(=O)Nc2ccc(S(=O)(=O)F)nc2)CS1	2110214102	DBCNJIBIJDYJRM-LURJTMIESA-N	305.312	0.503	70	10	DCIE	
Cc1cc(C(=O)NC2CN(S(=O)(=O)F)C2)cc(C)c1O	2284150864	MVSTYMDYYAFGSP-UHFFFAOYSA-N	302.327	0.637	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccn(C2CC2)n1	2287065620	OPJDBNFAODVQFR-QMMMGPOBSA-N	302.331	0.236	70	10	DCIE	
O=C(N1CC(CS(=O)(=O)F)C1)[C@@]1(O)C[C@H]1C(F)(F)F	2344048863	UJTQPPKGJMSOET-HTRCEHHLSA-N	305.249	0.057	70	10	DCIE	
CC(C)CC(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218621286	VKKHSMFZMGGZRD-UHFFFAOYSA-N	315.381	0.752	70	10	DCIE	
COc1ccc([C@H](O)CNC(=O)C(=O)NC(C)C)cc1OC	217378326	GMKULALCYAXJRR-LLVKDONJSA-N	310.350	0.378	70	10	DCIE	
COC(=O)[C@H](O)CNC(=O)/C=C/c1c(C)nn(C)c1Cl	217742319	IMNYMZFTFOQMAE-XNPJLODASA-N	301.730	0.045	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2CC[C@H]2OC)c1S(=O)(=O)Cl	724418410	DJHLTIABXOABLZ-JGVFFNPUSA-N	321.786	0.807	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1CCCCCC(=O)OCC	160035866	CIDORTGXVQFAAC-ZDUSSCGKSA-N	300.399	0.947	70	10	DCIE	
O=C1CCC(=O)N1CCN1CC[C@H](CNc2ccccn2)C1	160906253	HWHCXKWHSWOFJK-CYBMUJFWSA-N	302.378	0.964	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1c1ccnc(C(N)=S)c1	159806493	ZCAYRHYXUIPKRF-GFCCVEGCSA-N	308.407	0.447	70	10	DCIE	
COCCn1ncc(N2CC[C@H](N)[C@H](C)C2)c(Cl)c1=O	159791054	TWULHRWXKVVOKD-ZJUUUORDSA-N	300.790	0.717	70	10	DCIE	
COC[C@@H]1CN(c2ncncc2[B-](F)(F)F)C[C@@H]1COC	2172772921	UJYNWIHZBCELCT-AOOOYVTPSA-N	304.101	0.876	70	10	DCIE	
O=S1(=O)CCC[C@@H]2CN(c3ncc([B-](F)(F)F)cn3)C[C@@H]21	2172783445	FMFSSFRHPRLZHX-SCZZXKLOSA-N	320.125	0.544	70	10	DCIE	
O=S(=O)(Cl)c1cnn(C[C@H]2CCCCS2(=O)=O)c1	694491673	AHFKRFIYELLAOO-MRVPVSSYSA-N	312.800	0.778	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@]2(C)CCCOC2)[nH]1	2190129932	IGKQXOLMHLDPAU-NSHDSACASA-N	305.331	0.255	70	10	DCIE	
CC1(C)C[C@H](S(C)(=O)=O)CN1CCCS(=O)(=O)Cl	2059345502	YAERRQYRQVGKSQ-VIFPVBQESA-N	317.860	0.843	70	10	DCIE	
O=C([C@@H]1OCC[C@H]1C(F)(F)F)N1CC(CS(=O)(=O)F)C1	2240546718	JLNWVDORTDMUCF-HTQZYQBOSA-N	319.276	0.712	70	10	DCIE	
Cc1ccc(CCC(=O)NC2CN(S(=O)(=O)F)C2)cc1	2284141823	KAYDXLWSBRLEIN-UHFFFAOYSA-N	300.355	0.942	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1Cc1cn(C)nn1	233379569	FLRRNMARJFXDEH-UHFFFAOYSA-N	303.775	0.940	70	10	DCIE	
CC1(C#N)CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	1963995042	XHPCBZQTHLOTDP-UHFFFAOYSA-N	318.351	0.879	70	10	DCIE	
CCCCNC(=O)Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215908341	AXURGGYITLWXKI-UHFFFAOYSA-N	324.746	0.635	70	10	DCIE	
CN(CCS(=O)(=O)c1ccc(C(=N)N)cc1)[C@@H]1CCOC1	159628417	LUQASYIHAVUVQA-GFCCVEGCSA-N	311.407	0.465	70	10	DCIE	
CCNC(=O)N1CC[C@@H](NC(=O)N2CCCN(CC)CC2)C1	159992178	QSZDNITXBMYULU-CYBMUJFWSA-N	311.430	0.527	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1ccc(N)c(OC)c1	218147862	GOOVSYWVPYGDCG-UHFFFAOYSA-N	301.368	0.034	70	10	DCIE	
CCS(=O)(=O)[C@@H]1CSCCN1C(=O)[C@H](N)CCCOC	159494614	XVDBMAKZFQIQMZ-GHMZBOCLSA-N	324.468	0.077	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@H](CO)CC(C)C)cc1N	159583249	XDGOBCHDYNRRKO-NSHDSACASA-N	301.412	0.996	70	10	DCIE	
Cc1[nH]nc(C(=O)N2CC[C@@]3(CCO3)C2)c1S(=O)(=O)Cl	2153322639	GVXYXGZZKYMJPY-LLVKDONJSA-N	319.770	0.651	70	10	DCIE	
COCCn1c([C@]2(C)CCCN2C)nnc1S(=O)(=O)Cl	2154950088	YYJAHODGHUDJOP-NSHDSACASA-N	322.818	0.793	70	10	DCIE	
Cc1ncnc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)c1[B-](F)(F)F	2172767878	ZRUUPIVDQLJWHW-DTWKUNHWSA-N	320.125	0.463	70	10	DCIE	
O=C(Cn1ccc(O)nc1=O)N1CCC[C@@H]([B-](F)(F)F)C1	2190464604	MRPPEXHPVUOPMT-MRVPVSSYSA-N	304.057	0.789	70	10	DCIE	
O=S(=O)(Cl)c1ccc(S(=O)(=O)NC2COC2)cc1	2046682900	LBAFBTKKJWMPBN-UHFFFAOYSA-N	311.768	0.291	70	10	DCIE	
CC(C)CNS(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2110222966	VZHLAODHGBWJOB-UHFFFAOYSA-N	311.360	0.642	70	10	DCIE	
Cc1noc2ncnc(N3CCn4nc([C@H](O)CO)cc4C3)c12	217138379	AOYUUVWRZBPPKY-LLVKDONJSA-N	316.321	0.169	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CO[C@H]2C3)c1S(=O)(=O)Cl	2286252528	PVHYUZLNMNMBOP-CSMHCCOUSA-N	319.770	0.553	70	10	DCIE	
Cc1nn(CCN2CCNC2=O)c(C)c1S(=O)(=O)Cl	103116052	HLFGAINTMKCKGL-UHFFFAOYSA-N	306.775	0.453	70	10	DCIE	
Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CC(=O)NC(=O)[C@H]1C	217840131	BTLKVJBGKSRJJZ-PULIVWKDSA-N	310.741	0.269	70	10	DCIE	
O=S(=O)(Cl)CCCN1CC[C@]2(CCCS2(=O)=O)C1	708694235	SPHBZOIBELYJJM-SNVBAGLBSA-N	315.844	0.598	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1[C@H]2CC[C@H]1[C@H](CO)C2	1351947364	WCHOAWBGUJRFSL-LAEOZQHASA-N	302.327	0.658	70	10	DCIE	
COC(=O)c1c(Br)c(S(=O)(=O)Cl)nn1C	2069569333	VUHUYEGXJNJQRD-UHFFFAOYSA-N	317.548	0.897	70	10	DCIE	
Cc1ncnc(N(C)CC2(S(C)(=O)=O)CC2)c1[B-](F)(F)F	2172764656	GOEYSUWXMCKLSG-UHFFFAOYSA-N	322.141	0.853	70	10	DCIE	
CN(CC1[C@H]2CS(=O)(=O)C[C@H]12)c1ncc([B-](F)(F)F)cn1	2174650675	XVXDTGSZKXNQKC-NXEZZACHSA-N	320.125	0.258	70	10	DCIE	
O=C([C@@H]1OC[C@H]2CCC[C@@H]21)N1CCN(S(=O)(=O)F)CC1	2233186770	OAISDMHNVXVFIF-OUAUKWLOSA-N	306.359	0.160	70	10	DCIE	
O=C(Cc1ccc(O)cc1)N[C@H]1CCN(S(=O)(=O)F)C1	2287075781	OVCWWOMWZBMREJ-JTQLQIEISA-N	302.327	0.340	70	10	DCIE	
CNC(=O)[C@H]1COCCN1C(=O)c1cc(Cl)nc(Cl)c1	159507844	NFBANSFYENTXDN-MRVPVSSYSA-N	318.160	0.975	70	10	DCIE	
NC(=S)c1ccncc1N1CCOC[C@@H]1C(=O)NC1CC1	159810698	LLMRHMYVVHAACP-GFCCVEGCSA-N	306.391	0.200	70	10	DCIE	
CC(=O)N1CCC[C@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1	159926953	IEUANEUSOVLYKL-LBPRGKRZSA-N	316.423	0.281	70	10	DCIE	
CCN(CCCO)C(=O)Cc1csc(NS(C)(=O)=O)n1	160512219	LTVVNULKOVQDCQ-UHFFFAOYSA-N	321.424	0.288	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCNC(=O)[C@H]1CC	160524996	WOCGJUVXGGTHII-SNVBAGLBSA-N	308.338	0.221	70	10	DCIE	
CS(=O)(=O)C[C@@H](Cc1cncc(Br)c1)NN	161168096	BBRGCPHVHGQXOG-SECBINFHSA-N	308.201	0.263	70	10	DCIE	
CCNCc1ccc(S(=O)(=O)NCCCN(C)C)nc1	217426341	GFUVMMFFJQNTCV-UHFFFAOYSA-N	300.428	0.421	70	10	DCIE	
COCCn1c([C@@H](C)n2cccn2)nnc1S(=O)(=O)Cl	234669981	RXZRALMTROSSCW-MRVPVSSYSA-N	319.774	0.658	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@]23COC[C@H]2C3)c1S(=O)(=O)Cl	718100550	RAUDHQGPLVUTBB-LHLIQPBNSA-N	305.743	0.164	70	10	DCIE	
C[C@@H]1CCN(S(=O)(=O)Cl)C[C@H]1NC(=O)C(F)(F)F	1953573040	GPDCSPFAPZVSOT-PHDIDXHHSA-N	308.709	0.859	70	10	DCIE	
COc1ncc(C(=O)N2CC(S(=O)(=O)F)C2)cc1Cl	1972979065	INCMGXPQMNJHBK-UHFFFAOYSA-N	308.718	0.867	70	10	DCIE	
CC(F)(F)CS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2028128408	KNOGOMQDLIISQE-ZETCQYMHSA-N	309.331	0.735	70	10	DCIE	
CO[C@H](C)CCS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2109250386	VRHSXJFICNOGMS-NXEZZACHSA-N	317.404	0.505	70	10	DCIE	
COc1nc(N2CC[S@@](=O)C[C@@H]2C)ncc1[B-](F)(F)F	2116128075	CTEARJPMCGLLTD-SVWIBVJCSA-N	308.114	0.497	70	10	DCIE	
CCCCN(C)S(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2134973220	OBOAWMGTTQEYOZ-UHFFFAOYSA-N	316.420	0.584	70	10	DCIE	
O=C([C@H]1CCn2nccc2C1)N1CC[C@@H](S(=O)(=O)F)C1	2165273371	LCFSZAZFEHTYKO-GXSJLCMTSA-N	301.343	0.346	70	10	DCIE	
Cc1ncnc(N2CCC[C@@H](S(C)(=O)=O)C2)c1[B-](F)(F)F	2172769902	DGHVVVBELICHEA-SECBINFHSA-N	322.141	0.853	70	10	DCIE	
CCN1CC[C@H](n2cc(S(=O)(=O)Cl)nc2COC)C1=O	2182342979	FHKGJVSIOUZSJM-QMMMGPOBSA-N	321.786	0.750	70	10	DCIE	
Cc1ncnc(C(=O)N2CCC(S(=O)(=O)F)CC2)c1C	2206521502	XVGCVDMDMJPOPE-UHFFFAOYSA-N	301.343	0.997	70	10	DCIE	
CC[C@@]1(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CC1(F)F	2271498693	TZJGMEQYEOHCGR-CBAPKCEASA-N	300.302	0.827	70	10	DCIE	
CNC(=O)[C@@H]1CNCCN1C(=O)/C=C\c1ccc(Cl)cc1	216846311	MPMXOIOFDCBJTC-IRBQFCFKSA-N	307.781	0.900	70	10	DCIE	
O=C(N[C@@H]1C[C@@H]2CC[C@@H]1O2)c1cc(S(=O)(=O)Cl)c[nH]1	133520690	PYPDNFVWSYPSEJ-IONOHQLYSA-N	304.755	0.992	70	10	DCIE	
CO[C@@H]1CCOC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	725040599	FCUFQLCBLMOJSF-NXEZZACHSA-N	322.770	0.476	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1Cc1nnnn1CC	698601812	BTHMELMFKAHLMS-UHFFFAOYSA-N	304.763	0.428	70	10	DCIE	
O=S(=O)(Cl)C[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1	958678123	BLXBHYINTACJEU-BDAKNGLRSA-N	302.801	0.539	70	10	DCIE	
Cc1nc(N2CCS(=O)(=O)CCO2)ccc1[B-](F)(F)F	2116145235	KVQHGIPWUCRAPU-UHFFFAOYSA-N	309.098	0.611	70	10	DCIE	
CC(C)(CC(N)=O)NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1515043458	CBXYKVYEWAPESZ-UHFFFAOYSA-N	316.354	0.658	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](CNCCF)C1	1714365095	ACWMVADDTOPEHL-SECBINFHSA-N	321.349	0.694	70	10	DCIE	
CS(=O)(=O)Cc1ccc(C(=O)N2CCN(C3CC3)CC2)o1	161427564	ROGCGESKLVKDTR-UHFFFAOYSA-N	312.391	0.744	70	10	DCIE	
CN(C)C(=O)NCCNS(=O)(=O)c1c(F)cc(N)cc1F	160686653	ZUOGLJGLQBUEGF-UHFFFAOYSA-N	322.337	0.097	70	10	DCIE	
CC(C)[C@@H](C(=O)N1CCOC[C@@H]1C(=O)NC1CC1)C(N)=S	159782309	QCWCYFUZHZFVLE-GHMZBOCLSA-N	313.423	0.051	70	10	DCIE	
C[C@@H]1CCCCN1S(=O)(=O)N1CC(CS(=O)(=O)F)C1	2134977022	NOMQCFZYKIZVLT-SECBINFHSA-N	314.404	0.337	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2CCC[C@@H](F)C2)[nH]1	1923174035	MSPPQSAMVJPOBE-JGVFFNPUSA-N	307.322	0.967	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)[C@H]2COC[C@@H]2C)c1S(=O)(=O)Cl	688263047	PSMKBIYWJOAUCC-XPUUQOCRSA-N	321.786	0.753	70	10	DCIE	
C[C@H]1CCC[C@H](S(=O)(=O)NC2CN(S(=O)(=O)F)C2)C1	2268805788	NQXVARYZDPPHKB-WPRPVWTQSA-N	314.404	0.383	70	10	DCIE	
COC[C@@]1(C)C[C@@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2284683006	RGFQTAMANIFGKB-RDDDGLTNSA-N	305.331	0.111	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@]12CCCOC2	2287071693	JIGZBFXYFDBCMX-SCVCMEIPSA-N	306.359	0.208	70	10	DCIE	
CCCS(=O)(=O)CCn1cnc(S(=O)(=O)Cl)c1	233267922	XPCGIUTVQHDZTN-UHFFFAOYSA-N	300.789	0.635	70	10	DCIE	
COCCNC(=O)[C@H](C)n1nc(C)c(S(=O)(=O)Cl)c1C	215786411	WZSRSUCKLDWYPJ-VIFPVBQESA-N	323.802	0.751	70	10	DCIE	
CCc1cc(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)[nH]n1	160809775	ASYWWPUOSGSKNW-UHFFFAOYSA-N	307.354	0.456	70	10	DCIE	
O=C(N[C@@H]1CCOC[C@@H]1F)c1cc(S(=O)(=O)Cl)c[nH]1	2130186716	GCFSXCXJMXPCFF-JGVFFNPUSA-N	310.734	0.799	70	10	DCIE	
COc1nn(C[C@@H]2C[C@@H]2OC)c(OC)c1S(=O)(=O)Cl	2131677462	MRVCAJXJTAXETC-BQBZGAKWSA-N	310.759	0.863	70	10	DCIE	
Cc1ncc(S(=O)(=O)NCCS(=O)(=O)Cl)s1	235835682	CCYKDXDMBOHTOC-UHFFFAOYSA-N	304.802	0.298	70	10	DCIE	
CC(C)[C@@H](CN)C(=O)Nc1cc(S(C)(=O)=O)ccc1O	160320014	IHPUYHNRIJBVIU-SNVBAGLBSA-N	300.380	0.965	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2C[C@H]3C[C@@H]3C2)cc1	380381432	LNJMQYASVMQRDO-RKDXNWHRSA-N	305.352	0.985	70	10	DCIE	
CO[C@@]1(C)C[C@@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	694439361	SQGYBCIUNPAUIY-WKEGUHRASA-N	307.759	0.553	70	10	DCIE	
CO[C@H](C)c1noc(Cn2cnc(S(=O)(=O)Cl)c2)n1	2113363216	LVYXDQJTEFRPLT-ZCFIWIBFSA-N	306.731	0.949	70	10	DCIE	
Cc1cc(C)c(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cn1	2287076900	KILLYYZKWYDTFE-JTQLQIEISA-N	301.343	0.717	70	10	DCIE	
CCc1c(C(=O)NCCCN(C)CCOC)[nH]c(C)c1C(N)=O	161485721	ZDPPWHAKPJLXJH-UHFFFAOYSA-N	324.425	0.683	70	10	DCIE	
CCn1nnnc1-c1cccc(NC(=O)[C@@H]2C[C@H](O)CN2)c1	159585114	UFWQUTOSCQKWQD-RYUDHWBXSA-N	302.338	0.021	70	10	DCIE	
O=S(=O)(Cl)CCCN1C[C@@H]2[C@H](CCS2(=O)=O)C1	1941408610	IJIVVLNSLHNCKN-RKDXNWHRSA-N	301.817	0.064	70	10	DCIE	
COCCn1ncc(N2CC[C@@H]([C@@H](C)N)C2)c(Cl)c1=O	160004666	JXJJFTPUDATWPW-NXEZZACHSA-N	300.790	0.717	70	10	DCIE	
C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)[C@@H](C)CO	160416947	LPKWTOHRUUACSR-UWVGGRQHSA-N	300.380	0.805	70	10	DCIE	
C[C@H]1C[C@H]1CNS(=O)(=O)N1CCC(CNC2CC2)CC1	160796452	SGGYBOQIABKAIJ-AAEUAGOBSA-N	301.456	0.941	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1	163318949	MCRGEPYRNSZALY-VIFPVBQESA-N	323.367	0.660	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1Cc1nnn(CC)n1	2197873665	FWVNANKTBNYAEL-UHFFFAOYSA-N	318.790	0.818	70	10	DCIE	
O=C([C@@H]1OC[C@H]2CCCC[C@H]21)N1CC(CS(=O)(=O)F)C1	2233186277	NNIGORPJFOOWLW-IJLUTSLNSA-N	305.371	0.949	70	10	DCIE	
Cc1cc(C)c(C(=O)NC2CN(S(=O)(=O)F)C2)c(O)n1	2284151026	NTJZNOSZZPSBGW-UHFFFAOYSA-N	303.315	0.032	70	10	DCIE	
Cc1ccccc1CCC(=O)NC1CN(S(=O)(=O)F)C1	2284151207	PCCREOFLOAEFNK-UHFFFAOYSA-N	300.355	0.942	70	10	DCIE	
C[C@H]1CC[C@@H](CN)CN1c1cnn(CCO)c(=O)c1Cl	159530551	NAKLPNHOQUFZFW-UWVGGRQHSA-N	300.790	0.453	70	10	DCIE	
COCCn1ncc(N(C)[C@@H](CN)C2CC2)c(Cl)c1=O	160050388	JHOJJDQTMGUJIO-JTQLQIEISA-N	300.790	0.717	70	10	DCIE	
CN1C[C@@H](NS(=O)(=O)Cc2ccc(Cl)nc2)CCC1=O	160083263	XPINULUUYFHADJ-JTQLQIEISA-N	317.798	0.775	70	10	DCIE	
NC(=O)NCCNC[C@@H](O)COCc1ccc(Cl)cc1	160979602	OONAXPRXZGTNKR-GFCCVEGCSA-N	301.774	0.475	70	10	DCIE	
Cc1nn([C@H](C)C(=O)NC(N)=O)c(C)c1S(=O)(=O)Cl	215815007	ZCRLPRLRTGMXAC-ZCFIWIBFSA-N	308.747	0.183	70	10	DCIE	
CS(=O)(=O)N1CC[C@@H](n2cnc(S(=O)(=O)Cl)c2)C1	689687542	BAYBYRKONZLDPB-SSDOTTSWSA-N	313.788	0.017	70	10	DCIE	
C[C@H](C#N)CS(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2110220588	ZYHJCWOIOOLEIX-SSDOTTSWSA-N	307.328	0.641	70	10	DCIE	
CO[C@H]1COC[C@H]1CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2154133293	PNEGFANGTMZGFA-XCBNKYQSSA-N	322.770	0.333	70	10	DCIE	
CCCc1nnsc1C(=O)NCC1CN(S(=O)(=O)F)C1	2164432416	XATNZTGDYHUATK-UHFFFAOYSA-N	322.387	0.367	70	10	DCIE	
O=S(=O)(C[C@H]1CCCO1)Nc1ccc(S(=O)(=O)F)nc1	2166520214	XKIXKGIFQACOLS-SECBINFHSA-N	324.355	0.661	70	10	DCIE	
Cc1ccnc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)c1[B-](F)(F)F	2172771515	ASPJMJXPPJFDKJ-AOOOYVTPSA-N	319.137	0.925	70	10	DCIE	
C[C@H]1CCC[C@H](CS(=O)(=O)NCCS(=O)(=O)Cl)O1	2316694074	NIHAZSWKXPIKMV-DTWKUNHWSA-N	319.832	0.432	70	10	DCIE	
C[S@@](=O)CCCNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	135264149	UAXZDBYVUBBZGE-KRWDZBQOSA-N	312.800	0.441	70	10	DCIE	
CC[C@H](CO)NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	217287095	DUQPDBZVWHHRDW-ZIAGYGMSSA-N	305.378	0.858	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H]1CNCCF	1277940252	GKEZTFNYZPSQJI-SECBINFHSA-N	321.349	0.837	70	10	DCIE	
Cc1nc(N2CC(CS(C)(=O)=O)C2)ncc1[B-](F)(F)F	2116131487	YKPFXRKPUNNMEG-UHFFFAOYSA-N	308.114	0.320	70	10	DCIE	
COc1cc(C(=O)Nc2cnnn2C)ccc1S(=O)(=O)F	1544393214	XHRUXSQWMNDJRD-UHFFFAOYSA-N	314.298	0.734	70	10	DCIE	
COc1cc(C(=O)Nc2ncc(S(=O)(=O)F)s2)ncn1	1543643664	CBJYWEHKHYRYQA-UHFFFAOYSA-N	318.311	0.852	70	10	DCIE	
COC(C)(C)CNC(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O	161485367	IUEDXAMNGYYDOH-UHFFFAOYSA-N	318.399	0.335	70	10	DCIE	
CC1CCC(OC[C@@H](O)CNCCNC(=O)N(C)C)CC1	160930029	SVLLIRJUYVGTFU-MOKVOYLWSA-N	301.431	0.803	70	10	DCIE	
CN[C@@H]1CC[C@H](C)C[C@@H]1CN1CCN(S(C)(=O)=O)CC1	217970616	GUOQODZDXFEZCX-BFHYXJOUSA-N	303.472	0.588	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2CC(CF)C2)c1	1972706417	PCLURROMJSYQSF-UHFFFAOYSA-N	311.331	0.935	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2CCO[C@@H]2C)c1S(=O)(=O)Cl	157052418	QXOKFCVVWBTXRQ-SVRRBLITSA-N	321.786	0.807	70	10	DCIE	
C[C@H]1C[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CO1	401466450	MDUHDEOSIFBQFS-IUCAKERBSA-N	323.367	0.801	70	10	DCIE	
COCCNC(=O)COc1ccc(S(=O)(=O)F)c(C)c1	2191435017	QXGOADVENHSVSU-UHFFFAOYSA-N	305.327	0.795	70	10	DCIE	
CS(=O)(=O)CS(=O)(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2073783384	VTSHHKACCUXDLK-SFYZADRCSA-N	320.143	0.632	70	10	DCIE	
CO[C@H]1CN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)C[C@H]1F	2090291321	NUQBJGDXRRIQEP-APPZFPTMSA-N	310.734	0.751	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCC(F)(F)C1	2271493039	CPFAPMDGSYWRCI-HTQZYQBOSA-N	300.302	0.827	70	10	DCIE	
C[C@@H]1CCC[C@H]1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271504838	IHCCIVXVFLABGZ-OPRDCNLKSA-N	314.404	0.383	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@]12CCC[C@H]1OCC2	2287075128	LIGJAENKMVXHHE-CKYFFXLPSA-N	306.359	0.350	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)Nc2nncs2)c1	460094595	NNWSJWHNZXVZJC-UHFFFAOYSA-N	323.352	0.997	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2CCOC2)c1S(=O)(=O)Cl	115020701	VOWICOTUDOQOGA-ZETCQYMHSA-N	307.759	0.412	70	10	DCIE	
COC(=O)Cn1ncc(N2C[C@@H](C)NC[C@@H]2C)c(Cl)c1=O	159569053	DUUCMRIODDCDIE-BDAKNGLRSA-N	314.773	0.256	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc([C@@H](C)O)cc2)CCOC1	161088703	MCZSIDBKUSTAEV-BXUZGUMPSA-N	315.391	0.824	70	10	DCIE	
Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1	161259140	BUVQSGXMFAUUPB-SECBINFHSA-N	324.768	0.719	70	10	DCIE	
CO[C@@]1(CNC(=O)c2cc(S(=O)(=O)Cl)c[nH]2)CCOC1	161475536	NEHXIECCUZYYAG-LLVKDONJSA-N	322.770	0.478	70	10	DCIE	
Cc1cc(S(=O)(=O)Cl)ccc1O[C@H](C)C(=O)NC(N)=O	215996742	JCWCVJACVGVCHR-SSDOTTSWSA-N	320.754	0.885	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2CCO[C@@H](C)C2)c1S(=O)(=O)Cl	235690834	DWPQJFWEWKFEGX-XPUUQOCRSA-N	321.786	0.943	70	10	DCIE	
CCCC(=O)NCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1736869062	ZEDYZFUJDSNUAX-UHFFFAOYSA-N	319.358	0.709	70	10	DCIE	
COC1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CCCC1	1974394043	BRGJTMJFKOUYRF-UHFFFAOYSA-N	308.375	0.741	70	10	DCIE	
COCCn1c([C@H]2CCCN2C)nnc1S(=O)(=O)Cl	2095065004	YSUBIIITMQCXJB-MRVPVSSYSA-N	308.791	0.619	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)C[C@@H]2CC[C@H](F)C2)C1	2134975027	NCCGCJWHQWLCGX-SCZZXKLOSA-N	317.379	0.686	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CCCN1C(=O)CCC1=O	2169724089	PNYHWIDFPDDZDT-UHFFFAOYSA-N	319.770	0.658	70	10	DCIE	
CC(C)N1CCN(CCn2cnc(S(=O)(=O)Cl)c2)CC1	2169944854	BVZANRMVUBYHFP-UHFFFAOYSA-N	320.846	0.837	70	10	DCIE	
Cc1nc(N2CCN(S(C)(=O)=O)CC2)ccc1[B-](F)(F)F	2172781082	YXSDYGDGWBHFMU-UHFFFAOYSA-N	322.141	0.526	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)NC1[C@@H]2COC[C@@H]12	2174646819	FEPBIOOACPKHSC-RKDXNWHRSA-N	318.782	0.810	70	10	DCIE	
C[C@@H]1CCC[C@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)O1	2235192149	AUMJREBQKXHDMB-MWLCHTKSSA-N	308.375	0.739	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2CCCOC2)c1S(=O)(=O)Cl	115803334	TXVOCABBTAKSAW-ZETCQYMHSA-N	321.786	0.808	70	10	DCIE	
CN(CCc1ccncc1)C(=O)N[C@H]1CCc2ncnn2C1	161312568	XNRZZSKZMXIQDF-ZDUSSCGKSA-N	300.366	0.872	70	10	DCIE	
CCc1[nH]nc(C(=O)NC2CC(OC)C2)c1S(=O)(=O)Cl	234320241	HXDSXXIYAGPOSU-UHFFFAOYSA-N	321.786	0.807	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CCOC1CCC1	689014808	IBVNAPDGJODIGJ-UHFFFAOYSA-N	308.743	0.446	70	10	DCIE	
C#CCC1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOCC1	1339112813	AULOGORGYNYADJ-UHFFFAOYSA-N	314.338	0.975	70	10	DCIE	
O=C(NC1(c2ncon2)CCC1)c1cc(S(=O)(=O)F)c[nH]1	1636056563	ZKIXUUCVYRKUAB-UHFFFAOYSA-N	314.298	0.865	70	10	DCIE	
COC(=O)c1cc(OS(=O)(=O)F)cc(S(=O)(=O)F)c1	1887518514	CYYGMKPGCSQYNF-UHFFFAOYSA-N	316.259	0.725	70	10	DCIE	
CC(C)CO[C@@H](C)C(=O)NC1CCN(S(=O)(=O)F)CC1	1974402238	LKMZZLCRBZKCDH-JTQLQIEISA-N	310.391	0.842	70	10	DCIE	
O=C(c1cc(Cl)ncn1)N1CCN(S(=O)(=O)F)CC1	2107413269	WSQPYYMLAPGFJC-UHFFFAOYSA-N	308.722	0.102	70	10	DCIE	
CCCN(CCC)S(=O)(=O)N1CC(CS(=O)(=O)F)C1	2134976941	MTIZQQXKURUBLJ-UHFFFAOYSA-N	316.420	0.584	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1[C@H]2COCC[C@@H]21	2150094785	RDDCXYLYAZIUML-PRJMDXOYSA-N	320.754	0.159	70	10	DCIE	
CN1CCOC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)F)nc1	2166534309	PEVHSXZANWWBMO-SECBINFHSA-N	303.315	0.009	70	10	DCIE	
Cc1ncnc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c1[B-](F)(F)F	2172767877	ZRUUPIVDQLJWHW-BDAKNGLRSA-N	320.125	0.463	70	10	DCIE	
COCCn1c([C@]2(C)CCCOC2)nnc1S(=O)(=O)Cl	2190128927	BEKKQUYUGVDKGO-LLVKDONJSA-N	323.802	0.920	70	10	DCIE	
CCCc1c(C(=O)N2CC(CS(=O)(=O)F)C2)nnn1C	2199684211	LDOIEOJROGLMIQ-UHFFFAOYSA-N	304.347	0.139	70	10	DCIE	
CC(C)(C)C(=O)NCC(=O)N1CC(CCS(=O)(=O)F)C1	2199688435	FYZVSRZFEBCRJQ-UHFFFAOYSA-N	308.375	0.297	70	10	DCIE	
CCn1nnc(C(=O)N2CC(CCS(=O)(=O)F)C2)c1C	2199688620	MMICGVOJTCYBPY-UHFFFAOYSA-N	304.347	0.368	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@H]2C=C[C@H]1CC2	2287076161	HFLAUEHYSUAYMT-BJDJZHNGSA-N	302.371	0.994	70	10	DCIE	
C[C@]1([B-](F)(F)F)CCN(S(=O)(=O)N2CCOCC2)C1	2319682863	MZQKLNWOSJPZTO-VIFPVBQESA-N	301.119	0.877	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC[C@@H]2C[C@H]1CO2	2359646941	HDYHERNDZPEVCY-UKKRHICBSA-N	306.359	0.206	70	10	DCIE	
COCCn1c([C@H]2COCC2(C)C)nnc1S(=O)(=O)Cl	2361325074	ZFULYZYBCLPDRU-MRVPVSSYSA-N	323.802	0.992	70	10	DCIE	
CC1(C)COC[C@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	2361340624	RKWCWLCHYPCPDH-JTQLQIEISA-N	308.375	0.454	70	10	DCIE	
COC(=O)[C@H]1C[C@@H](N(O)C(N)=O)CN1C(=O)OC(C)(C)C	217872975	CIAWLJUAYIEOQY-HTQZYQBOSA-N	303.315	0.307	70	10	DCIE	
O=C(N1CCN(S(=O)(=O)F)CC1)[C@]12CCC[C@H]1OCC2	2163668518	YFRSRQNVARTKRS-PWSUYJOCSA-N	306.359	0.304	70	10	DCIE	
Cc1cnc(N2CC(NS(C)(=O)=O)C2)c([B-](F)(F)F)c1	2116161201	DMVXBURCJURLTP-UHFFFAOYSA-N	308.114	0.182	70	10	DCIE	
CN1CCN(C(=O)COC(=O)c2cccc(N)c2Cl)CC1	161363624	FSLOZMTWUJMGKP-UHFFFAOYSA-N	311.769	0.853	70	10	DCIE	
Cc1c(C(=O)N2CCO[C@@H](C)[C@H]2C)cccc1S(N)(=O)=O	160038579	DQTWIXIWGDWSGM-MNOVXSKESA-N	312.391	0.892	70	10	DCIE	
CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1c(C)cccc1C	159475750	SHLFZYQPXDZKSM-LBPRGKRZSA-N	303.362	0.979	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c1S(=O)(=O)Cl	2151829495	FKBSYGYLIIUDOB-XLPZGREQSA-N	319.770	0.553	70	10	DCIE	
O=C(CCc1cccnc1)N[C@@H]1CCN(S(=O)(=O)F)C1	2287065444	MQYMIWKNCVZTLF-LLVKDONJSA-N	301.343	0.419	70	10	DCIE	
CC1(CS(=O)(=O)Nc2ccc(S(=O)(=O)F)nc2)COC1	2287124804	AEDUTBXMFFKAKT-UHFFFAOYSA-N	324.355	0.518	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1C[C@H]2CS(=O)(=O)[C@H]2C1	2336508044	JGARBUOSEHGWMA-WPRPVWTQSA-N	305.110	0.678	70	10	DCIE	
Cc1nnc(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)s1	698363544	ANOPOHXLQOLQMH-UHFFFAOYSA-N	322.755	0.085	70	10	DCIE	
O=C(N[C@H]1C[C@H](NCCCF)C1)c1cc(S(=O)(=O)F)c[nH]1	1317086900	IYVUIWOBGGQFIF-KYZUINATSA-N	321.349	0.883	70	10	DCIE	
CCC(=O)NC[C@H](CC)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1285027583	IJFNCGITNHCTIX-QMMMGPOBSA-N	319.358	0.708	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]32)c1S(=O)(=O)Cl	2120028988	KNXJQJAGRHXPLP-SHYZEUOFSA-N	305.743	0.163	70	10	DCIE	
CC[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCF	1481851228	CGYVYHGIWOUEBC-MRVPVSSYSA-N	309.338	0.740	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC(=O)NC1CC1	2125953041	FBJLCFONIIDMTE-UHFFFAOYSA-N	307.759	0.236	70	10	DCIE	
CCN(CC)S(=O)(=O)NC[C@H](O)c1ccccc1OC	159373970	ZZHRFZGDMAIPOF-LBPRGKRZSA-N	302.396	0.905	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1C(=O)C(C)(C)C(N)=S	159784976	GHZAMXPWBPMKDX-SECBINFHSA-N	301.412	0.051	70	10	DCIE	
CN1C[C@H](NS(=O)(=O)c2c(F)cccc2F)CCC1=O	160086505	UKRBHHOOICMMJC-MRVPVSSYSA-N	304.318	0.864	70	10	DCIE	
CC(C)(Cn1cc(S(=O)(=O)Cl)cn1)S(C)(=O)=O	2002497274	OLZFBPZQDZZHTP-UHFFFAOYSA-N	300.789	0.634	70	10	DCIE	
Cc1nc(N2CC[C@@H](CS(C)(=O)=O)C2)ncc1[B-](F)(F)F	2172764571	FNZCLYYJSVQRSQ-SECBINFHSA-N	322.141	0.710	70	10	DCIE	
Cc1nc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)ncc1[B-](F)(F)F	2172765467	RJTKREQMJHDMSA-WCBMZHEXSA-N	320.125	0.463	70	10	DCIE	
COc1cncc(C(=O)N2CC(CCS(=O)(=O)F)C2)c1	2199690304	WZBXTLGGWBNZRB-UHFFFAOYSA-N	302.327	0.852	70	10	DCIE	
COCC#CCn1nc(OC)c(S(=O)(=O)Cl)c1OC	2093409940	FBMXRCAILFEWJC-UHFFFAOYSA-N	308.743	0.478	70	10	DCIE	
C[C@@H](CCCN1CC(N2CCOCC2)C1)S(=O)(=O)Cl	2113195194	KISSDXJCMFRNOV-NSHDSACASA-N	310.847	0.740	70	10	DCIE	
CC[S@](=O)CCNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	135264728	OJXOLTCWQWSQOQ-QGZVFWFLSA-N	312.800	0.441	70	10	DCIE	
Cn1cnc2cc(C(=O)NC[C@H]3CN(C4CC4)CCO3)cnc21	159849787	YETSEVLNAFJSSC-ZDUSSCGKSA-N	315.377	0.561	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)NCCCN1CCOCC1	159945908	CETGVXTVPTVMNK-UHFFFAOYSA-N	324.381	0.322	70	10	DCIE	
Nc1cc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccn1	160895841	VTVJOIGWZKZBKZ-RISCZKNCSA-N	311.407	0.980	70	10	DCIE	
NC(=O)NCCNC[C@H](O)COc1ccc(Cl)cc1Cl	160983753	NSYYVODLOMBFBD-VIFPVBQESA-N	322.192	0.991	70	10	DCIE	
CC(C)[C@H](O)CC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O	161111007	BBFXDQWYOHGYLJ-NWDGAFQWSA-N	308.382	0.439	70	10	DCIE	
COC(=O)[C@H](O)CNC(=O)CCOc1cccc(Cl)c1	217742860	HDIUSQLFDABPFH-LLVKDONJSA-N	301.726	0.759	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CNC(=O)C1	400255380	POSXSRIGUADLRN-MRVPVSSYSA-N	305.787	0.899	70	10	DCIE	
Cn1nncc1S(=O)(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	1879786709	CDRGOJSKSXKZLG-CBAPKCEASA-N	309.102	0.817	70	10	DCIE	
CC(C)(C)OC(=O)NCCC(=O)N1CC[C@@H](S(=O)(=O)F)C1	1885609958	GOYCPPRVYSDMHS-SECBINFHSA-N	324.374	0.801	70	10	DCIE	
O=C([C@H]1C[C@H]2[C@@H](C1)C2(F)F)N1CCN(S(=O)(=O)F)CC1	1974015773	XRJXBHFXRVUKOC-PSVAKVPMSA-N	312.313	0.636	70	10	DCIE	
O=S(=O)(F)c1ccc(NS(=O)(=O)c2ncc[nH]2)cn1	2110222027	RGYYVGPVMBAALF-UHFFFAOYSA-N	306.300	0.264	70	10	DCIE	
CCCn1c(-c2nccnc2O)nnc1S(=O)(=O)Cl	2110828941	RNGIDKKRDHLDCQ-UHFFFAOYSA-N	303.731	0.778	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCO[C@]2(CCCOC2)C1	2172772056	ITKOOUZNTURGNM-GFCCVEGCSA-N	302.085	0.917	70	10	DCIE	
Cc1nc(OC[C@H](C)N2CCOCC2)ncc1[B-](F)(F)F	2186848989	HBKCNZQFEOPFJS-VIFPVBQESA-N	304.101	0.939	70	10	DCIE	
C[C@H]1CCCC[C@H]1S(=O)(=O)NC1CN(S(=O)(=O)F)C1	2268776961	BSUNICAHPBYQBE-WCBMZHEXSA-N	314.404	0.383	70	10	DCIE	
Cn1c([C@@H](C2CC2)S(C)(=O)=O)nnc1S(=O)(=O)Cl	2314354874	WUYJEKWOLQLMJI-ZCFIWIBFSA-N	313.788	0.238	70	10	DCIE	
CN(C)S(=O)(=O)N1CCC[C@]2(C1)OC(=O)c1ccccc12	217625543	OJBPTBJPOCKNPQ-CQSZACIVSA-N	310.375	0.955	70	10	DCIE	
C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(S(=O)(=O)F)C1	1954655856	JYRJLLZBDGWRIT-RNFRBKRXSA-N	306.281	0.980	70	10	DCIE	
COc1ccc(CNC(=O)N2CCN(C=O)CC2)cc1OC	217313460	FUSOHOWSMUCFPS-UHFFFAOYSA-N	307.350	0.687	70	10	DCIE	
O=S(=O)(Cl)C[C@H]1CCO[C@@]2(CCCS(=O)(=O)C2)C1	958530032	AGPSVULUOGFACT-UWVGGRQHSA-N	316.828	0.929	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]21	2120030094	UWNNBVSTNSQOLA-SFGNSQDASA-N	304.755	0.470	70	10	DCIE	
Cc1ccn(-c2ccccc2NC(=O)CN2CC(=O)NC2=O)n1	161293108	GUXVWZRRUPDRFT-UHFFFAOYSA-N	313.317	0.671	70	10	DCIE	
Cc1noc(C)c1CC(=O)N1CCS(=O)(=O)C(C)(C)C1	160167751	XCSPZGKZUZNUKG-UHFFFAOYSA-N	300.380	0.870	70	10	DCIE	
Cc1ccc(S(=O)(=O)NCCNC(N)=O)c2c1NCCC2	160906636	HRWXKQLTPGATGK-UHFFFAOYSA-N	312.395	0.300	70	10	DCIE	
C[C@@H]1CCC[C@@H]1CS(=O)(=O)N1CC(CS(=O)(=O)F)C1	2134974780	KBQOCHSXZWYUNS-MWLCHTKSSA-N	313.416	0.984	70	10	DCIE	
COc1ccc(C(=O)N2CCN(S(=O)(=O)F)CC2)nc1	1974000547	BPCCFLIWFHNSBX-UHFFFAOYSA-N	303.315	0.062	70	10	DCIE	
Cc1cc(=O)c(C(=O)N2CCC(S(=O)(=O)F)CC2)c[nH]1	2144733456	QEIXDUMWGNXSBG-UHFFFAOYSA-N	302.327	0.587	70	10	DCIE	
COc1nc(N2C[C@H]3CN(C)C[C@@H]3C2)ncc1[B-](F)(F)F	2172769805	CGJBWSWYQVTBCB-RKDXNWHRSA-N	301.101	0.537	70	10	DCIE	
CN(CC1[C@H]2CS(=O)(=O)C[C@H]12)c1ccc([B-](F)(F)F)cn1	2174649256	QHQGMOKSLKMSJR-GHMZBOCLSA-N	319.137	0.863	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C23CC(CCO2)C3)[nH]1	2196604184	VOXJSVURANHLCM-UHFFFAOYSA-N	303.315	0.008	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1CCOCC(N)=O	2232294353	CPRXBHYCSAOYMD-UHFFFAOYSA-N	309.775	0.265	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1OC[C@@H]2CCCC[C@@H]21	2284153022	GEUNVKIKVUAULX-INTQDDNPSA-N	306.359	0.206	70	10	DCIE	
COC[C@]1(C)C[C@@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2284683005	RGFQTAMANIFGKB-HQJQHLMTSA-N	305.331	0.111	70	10	DCIE	
Cc1ccc(O)cc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287071954	JTTQLZOHIVBHJC-SECBINFHSA-N	302.327	0.719	70	10	DCIE	
C[C@@H](CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1)[S@@](C)=O	135262757	NLEHLXBXVSYMDH-HQRLLJBISA-N	312.800	0.439	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1CC[C@@H]2[C@H]1C2(F)F	2359646731	BWODEWYCZXHGPQ-MAUMQABQSA-N	312.313	0.683	70	10	DCIE	
COc1nc(N2CCC[S@](=O)CC2)ncc1[B-](F)(F)F	2116132133	JYLFMZHSMXTSER-FQEVSTJZSA-N	308.114	0.498	70	10	DCIE	
COCC[C@H](COC)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1528214850	NOODTDMIYNYJAH-MRVPVSSYSA-N	308.331	0.454	70	10	DCIE	
CCN1CCC[C@H]1CNS(=O)(=O)c1cc(CN)oc1C	217526106	OZFPBJPWJUFSRG-NSHDSACASA-N	301.412	0.809	70	10	DCIE	
CN(C)c1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cn1	160352882	BVNOQSLCRAKZKI-AWEZNQCLSA-N	306.410	0.724	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccccc1	160519210	LJJBXJVRLAEOGR-CYBMUJFWSA-N	312.391	0.601	70	10	DCIE	
O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(C2CCCC2)CC1	160982419	ZUISPIISXWPYPX-CYBMUJFWSA-N	318.425	0.863	70	10	DCIE	
COC[C@@H](N)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C	159431165	HPCDYJMQFZKKMH-LLVKDONJSA-N	315.395	0.158	70	10	DCIE	
CC(C)(C)OC(=O)NC1(C(=O)N2CC(S(=O)(=O)F)C2)CC1	1968216352	XIURMWJPJBHQJT-UHFFFAOYSA-N	322.358	0.554	70	10	DCIE	
CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)CS(=O)(=O)F	1952737202	IWVNXMLPRMZOJV-SSDOTTSWSA-N	319.376	0.224	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1C[C@]12CC2(F)F	1974394361	HXUMZACKOWXZDE-SCZZXKLOSA-N	312.313	0.827	70	10	DCIE	
C[C@@H](NC[C@@H]1CCCS1(=O)=O)C(=O)NCC(F)(F)F	159835912	MKQVDPOYHHITNI-SFYZADRCSA-N	302.318	0.220	70	10	DCIE	
Cc1cc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)ncc1[B-](F)(F)F	2172773905	IEBYCVARZMLJKU-NXEZZACHSA-N	319.137	0.925	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)c1ccc(F)c(F)c1	124134312	MNIMQIYAZAXGKU-UHFFFAOYSA-N	319.738	0.812	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccc(N)cc2C)CCOC1	159914119	LSBOJRCHMYYLSJ-ZDUSSCGKSA-N	300.380	0.661	70	10	DCIE	
CCNC(=O)N1CC[C@H](NC(=O)NCc2ncccc2F)C1	160414994	CKWUXWQJBBGALQ-JTQLQIEISA-N	309.345	0.824	70	10	DCIE	
CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2O)co1	160440040	GUDPZYHIOQWNGP-UWVGGRQHSA-N	302.352	0.173	70	10	DCIE	
CN(C)c1cccc(CNC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)n1	161435563	NNPRRRVBUAHSGD-VXGBXAGGSA-N	319.409	0.991	70	10	DCIE	
C[C@H](Cn1cncn1)NC(=O)c1csc(S(C)(=O)=O)c1	161502253	INAWNCHQFUFITQ-MRVPVSSYSA-N	314.392	0.562	70	10	DCIE	
Cc1cccc(CC(=O)NC[C@H](O)Cn2ccccc2=O)c1	218417926	KVSYSNMPISVIHP-HNNXBMFYSA-N	300.358	0.877	70	10	DCIE	
C#CCNC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1268084406	DYBYGVNDOVRJCF-SECBINFHSA-N	301.343	0.356	70	10	DCIE	
CC#CCN[C@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1317405092	DXJXWZXCBVBBKQ-SNVBAGLBSA-N	315.370	0.794	70	10	DCIE	
O=C(Cc1cccc(O)c1)N1CCN(S(=O)(=O)F)CC1	1974000723	FPFZHWUCNACJKL-UHFFFAOYSA-N	302.327	0.293	70	10	DCIE	
COc1nn([C@H](C)CN(C)C)c(OC)c1S(=O)(=O)Cl	2093411660	MUBZOBUZTREAHH-SSDOTTSWSA-N	311.791	0.950	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCS(=O)(=O)[C@H](C)C2)n1	2116132726	TZAYPAXYOSEPHJ-SSDOTTSWSA-N	308.114	0.463	70	10	DCIE	
O=S1(=O)C[C@H]2CN(c3ncc(F)cc3[B-](F)(F)F)C[C@@H]2C1	2188591080	WGEYIVZPGHUMTK-HTQZYQBOSA-N	323.100	0.756	70	10	DCIE	
CC[C@]1(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CC1(F)F	2271498695	TZJGMEQYEOHCGR-VXNVDRBHSA-N	300.302	0.827	70	10	DCIE	
O=S(=O)(N[C@@H]1CCN(S(=O)(=O)F)C1)C1CCCCC1	2271512722	BAFGJCHGRINTDH-SECBINFHSA-N	314.404	0.527	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CSc2ccccc21	2284153547	NPQNBQGDSNJLJC-JTQLQIEISA-N	316.379	0.891	70	10	DCIE	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C[C@@H]2S(=O)(=O)Cl	100484848	OMOACBMXFQZECR-QMMMGPOBSA-N	311.724	0.992	70	10	DCIE	
C=CCNC/C=C\CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1274367324	AQJSXKNOMSIUEA-ARJAWSKDSA-N	301.343	0.735	70	10	DCIE	
Cc1ccnc(N2CC(NS(C)(=O)=O)C2)c1[B-](F)(F)F	2116143083	VWIXNVSADDWGQI-UHFFFAOYSA-N	308.114	0.182	70	10	DCIE	
CCS(=O)(=O)CCN(C)c1ncnc(C)c1[B-](F)(F)F	2116125343	ITMGABWXUKWUGT-UHFFFAOYSA-N	310.130	0.710	70	10	DCIE	
C#CCNC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1670523081	RRMLIDRSQOAYCD-GFCCVEGCSA-N	313.354	0.404	70	10	DCIE	
COC(=O)C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)c1ccccc1	160065612	NOGWFGNXHUGACO-QWHCGFSZSA-N	304.346	0.933	70	10	DCIE	
O=C1CC[C@@H]2CN(S(=O)(=O)C[C@@H]3CCCCN3)CC[C@H]2N1	160449793	TYJHNRFBXVHCHE-FRRDWIJNSA-N	315.439	0.059	70	10	DCIE	
O=C(C[C@@H]1CCS(=O)(=O)C1)N1CC[C@@]2(O)CCCC[C@H]2C1	160464326	ALKGJJBAVPFJBB-YDHLFZDLSA-N	315.435	0.965	70	10	DCIE	
CS(=O)(=O)NC1CN(c2ncc(F)cc2[B-](F)(F)F)C1	2132077490	OSCALBISBRUYPX-UHFFFAOYSA-N	312.077	0.013	70	10	DCIE	
O=S1(=O)CC[C@@H](COCc2ccc([B-](F)(F)F)cc2)N1	2136015010	PEHDIVHKKJBDGG-NSHDSACASA-N	308.110	0.949	70	10	DCIE	
COCCC1(NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)CC1	2157895837	NQKPGUXSOJQKIY-UHFFFAOYSA-N	321.786	0.945	70	10	DCIE	
O=C1C[C@@H](C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)NC(=O)N1	2194129448	KLTLMOSEVYECCG-PTZCXBDSSA-N	304.057	0.425	70	10	DCIE	
CO[C@H]1C[C@@H](C(=O)N2CC(CS(=O)(=O)F)C2)C12CCC2	2199691513	BDPYDUGCMLGNQM-QWRGUYRKSA-N	305.371	0.949	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CC2(CCCC2)CO1	2284152421	ZZVOPOFGUZJYJX-JTQLQIEISA-N	306.359	0.350	70	10	DCIE	
COc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)c(O)c1	2284152651	ANMGIVPYIFTMDA-UHFFFAOYSA-N	304.299	0.029	70	10	DCIE	
C[C@@H](NC(=O)N1CCN(CCN)CC1)Oc1ccc(O)cc1	217277672	PSSICUKNIJZCOU-LBPRGKRZSA-N	308.382	0.403	70	10	DCIE	
CCCc1nnsc1C(=O)N1CCN(S(=O)(=O)F)CC1	2163657270	HZICXNSWEAQEGP-UHFFFAOYSA-N	322.387	0.463	70	10	DCIE	
COCCn1c(-c2n[nH]c(C)c2C)nnc1S(=O)(=O)Cl	716730687	YDPFSCGTVRJOGI-UHFFFAOYSA-N	319.774	0.859	70	10	DCIE	
C[C@H]1C[C@@H]1CNC(=O)c1ccc(N(C)C)c(S(N)(=O)=O)c1	160337645	UERFWYXCACMGDA-GXSJLCMTSA-N	311.407	0.786	70	10	DCIE	
CC[C@@H](O)CCNC(=O)NC1CCN(c2ncccn2)CC1	160931843	WLXNWOOGJKHQDF-CYBMUJFWSA-N	307.398	0.906	70	10	DCIE	
C[C@](O)(Cc1ccccc1F)[C@]1(CN)CCS(=O)(=O)C1	159416135	TYIYLMBQPKXUJY-KBPBESRZSA-N	301.383	0.883	70	10	DCIE	
CC(=O)C[C@H](C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O	159969665	OWHIDQFWGQMORN-VIFPVBQESA-N	303.318	0.174	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1[C@@H]2COC[C@@H]21	2132393293	SRWIJTRSTNWWKJ-AYMMMOKOSA-N	306.771	0.849	70	10	DCIE	
CO[C@H](C(=O)N1CCC[C@@H](S(=O)(=O)F)C1)[C@H]1CCCO1	1973216796	SWLYBYCQWCEXST-MXWKQRLJSA-N	309.359	0.471	70	10	DCIE	
Cc1nc(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)cs1	2031744048	GKWUNGCFLBQNOM-ZETCQYMHSA-N	314.385	0.514	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2CO[C@@H](C)C2)c1S(=O)(=O)Cl	401468483	NISYQLLCIYBKID-BQBZGAKWSA-N	321.786	0.807	70	10	DCIE	
CN(c1ncncc1[B-](F)(F)F)[C@@H]1CCN(S(C)(=O)=O)C1	2172774507	PAWYDXMUHVFCBW-MRVPVSSYSA-N	323.129	0.001	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2C[C@@H](C)CO2)c1S(=O)(=O)Cl	2166247862	CLFZFFKMYKUSCW-HTRCEHHLSA-N	321.786	0.800	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1[C@H]2OCC[C@@H]21	2176536139	XJCFRZGCBRXAPW-IEBDPFPHSA-N	318.782	0.953	70	10	DCIE	
Cn1c(-c2cccc3nnn(C)c23)nnc1S(=O)(=O)Cl	2184193442	FDXFLCVQMXWNGN-UHFFFAOYSA-N	312.742	0.691	70	10	DCIE	
CN1C(=O)C[C@@H](Oc2ccc(F)cc2S(=O)(=O)F)C1=O	2191426788	UMDQOMQKKMBSPA-MRVPVSSYSA-N	305.258	0.620	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1CC[C@@H]1C(F)(F)F	2232576297	IXTKEQBKUHSHMM-YUMQZZPRSA-N	318.292	0.837	70	10	DCIE	
NC(=S)c1ccc(OC[C@H](O)CN2CCC[C@@H](O)C2)cc1	218448471	ZIPZZUMXVXDWNZ-CHWSQXEVSA-N	310.419	0.517	70	10	DCIE	
C[C@@H](Oc1ccc(S(=O)(=O)Cl)cc1)C(=O)NC(N)=O	216001793	PKLSXIUKQIQYDI-ZCFIWIBFSA-N	306.727	0.576	70	10	DCIE	
O=C(c1cc(O)cc(O)c1)N1CCN(S(=O)(=O)F)CC1	2163655126	LHDQBYOXXZKHQK-UHFFFAOYSA-N	304.299	0.070	70	10	DCIE	
CS(=O)(=O)N1CC[C@@H](n2cc(S(=O)(=O)Cl)cn2)C1	689692763	ZILJCBXHPUFKLM-SSDOTTSWSA-N	313.788	0.017	70	10	DCIE	
NC(=O)C1(NC(=O)Cc2ccc(S(=O)(=O)F)cc2)CC1	1356201787	SUAJFOJLFQKBRH-UHFFFAOYSA-N	300.311	0.021	70	10	DCIE	
CN(CCN(C)S(C)(=O)=O)c1ccc([B-](F)(F)F)cn1	2116144400	FIHHSSPYDSIVLY-UHFFFAOYSA-N	310.130	0.464	70	10	DCIE	
C#CCN[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1566724446	IRZQPGDFGYORSX-LBPRGKRZSA-N	313.354	0.404	70	10	DCIE	
CCNC(=O)C(C)(C)CNC(=O)C(=O)Nc1c(CC)noc1C	161136410	YDGAKXJCOHBZKG-UHFFFAOYSA-N	324.381	0.762	70	10	DCIE	
Cc1c(C(=O)NC[C@@H]2CN(C)CCO2)cnn1C1CCOCC1	161169442	KSAXKUJSZKWQMV-CQSZACIVSA-N	322.409	0.603	70	10	DCIE	
C[C@]1(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)CCCO1	160263871	RZDOGWYKPNWCNN-GMXVVIOVSA-N	304.412	0.390	70	10	DCIE	
COC(=O)CCCS(=O)(=O)NC[C@H]1CCCN1CC(C)C	160276018	BBNNTZIRLBXPFU-CYBMUJFWSA-N	320.455	0.979	70	10	DCIE	
Cn1cc(CC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cn1	159411038	LRNPCAWIKHGERH-UONOGXRCSA-N	319.361	0.907	70	10	DCIE	
CNCCCN(C)c1cnn(CCN(C)C)c(=O)c1Cl	159811594	WDLUYBVRESOQGJ-UHFFFAOYSA-N	301.822	0.504	70	10	DCIE	
COCCn1ncc(N2CC[C@@H]([C@H](C)N)C2)c(Cl)c1=O	160004532	JXJJFTPUDATWPW-VHSXEESVSA-N	300.790	0.717	70	10	DCIE	
CN[C@H](c1c(Cl)cnn1CCOC)[C@H]1CN(C)CCO1	161051594	QNQTZUCATRUWGR-NEPJUHHUSA-N	302.806	0.774	70	10	DCIE	
COC[C@@H](C)S(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2028129509	NEVLGADCLGNXTL-MRVPVSSYSA-N	303.377	0.115	70	10	DCIE	
Cc1nc(N(C)CC2(S(C)(=O)=O)CC2)ncc1[B-](F)(F)F	2172764761	IBIRPUBFLPZXRV-UHFFFAOYSA-N	322.141	0.853	70	10	DCIE	
CCCCc1nc(S(=O)(=O)Cl)cn1CC(=O)NC(N)=O	2237589490	TYVQPWZCTXBFER-UHFFFAOYSA-N	322.774	0.348	70	10	DCIE	
Cc1nc(N(C)[C@@H]2COC3(COC3)C2)ncc1[B-](F)(F)F	2286260756	QDUBHYZZWHJAFI-VIFPVBQESA-N	302.085	0.834	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CC2(CCC2)CO1	2287071316	IIEVQGKELWBKPK-NXEZZACHSA-N	306.359	0.350	70	10	DCIE	
NS(=O)(=O)c1ccc(SCCS(=O)(=O)Cl)cc1	112083877	WPUBHRHPMNNKSA-UHFFFAOYSA-N	315.825	0.995	70	10	DCIE	
COCCn1cc(S(=O)(=O)Cl)cc1C(=O)OC1COC1	123197041	VMMZVDCSSGFVGF-UHFFFAOYSA-N	323.754	0.618	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1C(=O)c1cnc(Cl)c(Cl)c1	159509402	BACVIIFKYSTVIN-VIFPVBQESA-N	318.160	0.975	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cc(C)c(F)c(N)c2)CCOC1	159896241	YHDGEFAWZRYHKL-ZDUSSCGKSA-N	318.370	0.800	70	10	DCIE	
O=C(NC1(CO)CC1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1	160211068	WUFZVZGDLODZJL-SECBINFHSA-N	310.300	0.959	70	10	DCIE	
C[C@H](CO)[C@H](C)NC(=O)Cc1csc(NS(C)(=O)=O)n1	160350430	YVMANTVLKWNKBC-SFYZADRCSA-N	321.424	0.190	70	10	DCIE	
Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@H](NS(C)(=O)=O)C1	160612776	RWWOYQRAORKAFR-JTQLQIEISA-N	314.411	0.605	70	10	DCIE	
CCS(=O)(=O)N(C)CC(=O)N1CCc2c(F)cccc2C1	160840028	YILTUQBJJMEUCB-UHFFFAOYSA-N	314.382	0.992	70	10	DCIE	
COCCn1c([C@H]2COC[C@H]2C)nnc1S(=O)(=O)Cl	705143520	HDYKEDHZMXDPPY-SFYZADRCSA-N	309.775	0.602	70	10	DCIE	
COCCn1c(CCOC2CCC2)nnc1S(=O)(=O)Cl	716958527	JLFNDEMOUNLXHP-UHFFFAOYSA-N	323.802	0.964	70	10	DCIE	
O=S1(=O)CC(Cn2cc(S(=O)(=O)Cl)nc2C2CC2)C1	723179798	YIAXSIKTDAKYNQ-UHFFFAOYSA-N	324.811	0.733	70	10	DCIE	
CO[C@@H]1CN(S(=O)(=O)Cl)C[C@H]1NC(=O)OC(C)(C)C	1880793255	CVPQLLGDKUPHNA-HTQZYQBOSA-N	314.791	0.694	70	10	DCIE	
CC(=O)Nc1nc(C(=O)N2CC(S(=O)(=O)F)C2)cs1	1968215160	APUFIRLEXAHCIP-UHFFFAOYSA-N	307.328	0.225	70	10	DCIE	
O=C(Cc1ccc(Cl)nc1)NCC1CN(S(=O)(=O)F)C1	1974060522	UMTPWTNOGAIOMM-UHFFFAOYSA-N	321.761	0.540	70	10	DCIE	
Cc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1OCC(N)=O	2098793396	ASJIFVMAYBYAND-UHFFFAOYSA-N	307.711	0.485	70	10	DCIE	
CC(C)c1nc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)n[nH]1	2144732069	BBWMWFXKKHVXFZ-MRVPVSSYSA-N	304.347	0.832	70	10	DCIE	
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H](S(=O)(=O)F)C1	2144734120	XHJYCEBESMEOLT-QMMMGPOBSA-N	305.287	0.827	70	10	DCIE	
C[C@H]1C[C@@H](CCn2cc(S(=O)(=O)Cl)c(O)nc2=O)CO1	2159303147	VLTBEENYWNXUDX-JGVFFNPUSA-N	322.770	0.692	70	10	DCIE	
Cc1nc(N2CC[C@H](CS(C)(=O)=O)C2)ncc1[B-](F)(F)F	2172764572	FNZCLYYJSVQRSQ-VIFPVBQESA-N	322.141	0.710	70	10	DCIE	
COCCn1c(-c2coc(OC)n2)nnc1S(=O)(=O)Cl	2172850247	DHIIZHUZMWTIQP-UHFFFAOYSA-N	322.730	0.516	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@H]32)c1S(=O)(=O)Cl	2174646605	DGSIVMUTHAIDDY-BDINMYNLSA-N	319.770	0.274	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CC(=O)N(C)C1	2182342444	BEGRMHBXMDPKMN-QMMMGPOBSA-N	321.786	0.435	70	10	DCIE	
O=C([C@@H]1C[C@H]2COC[C@H](C2)C1)N1CC[C@H](S(=O)(=O)F)C1	2206846431	WLZBDAWVODNJAN-QCNOEVLYSA-N	305.371	0.949	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCC(F)(F)C1	2271493042	CPFAPMDGSYWRCI-JGVFFNPUSA-N	300.302	0.827	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CCO[C@H]2C)c1S(=O)(=O)Cl	157075657	NWSNSPIIOPIPBB-NKWVEPMBSA-N	307.759	0.553	70	10	DCIE	
CC[C@H](CCO)NC(=O)Cc1csc(NS(C)(=O)=O)n1	160082740	RZMFLQMQSVIHKY-MRVPVSSYSA-N	321.424	0.334	70	10	DCIE	
Cc1cc(S(=O)(=O)Cl)ccc1OCC(=O)NCC#N	216008716	KIUXZTHTJVGWSN-UHFFFAOYSA-N	302.739	0.941	70	10	DCIE	
COC(=O)[C@H](C[C@@H]1CCCO1)OS(=O)(=O)C(F)(F)F	216469989	UVBCNYPMJSSUSF-BQBZGAKWSA-N	306.258	0.963	70	10	DCIE	
CC(=O)Oc1cccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)c1	217265403	JBLHDVQBXKIPSJ-NSHDSACASA-N	312.347	0.921	70	10	DCIE	
COc1ccccc1OCNC(=O)N1CCN(C(C)=O)CC1	217308742	TVQUIXPCUNJERZ-UHFFFAOYSA-N	307.350	0.905	70	10	DCIE	
CC(C)CNC[C@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1497056958	FBJXJFUIGMOZSR-VIFPVBQESA-N	321.374	0.009	70	10	DCIE	
CC(C)NC/C=C/CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1699312100	WVQMMTHKGPTSQN-ONEGZZNKSA-N	303.359	0.957	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1COC[C@H]1F	1875999656	JZVIXFLZDAYYTA-HTQZYQBOSA-N	310.734	0.419	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2CCCCS2)[nH]1	1923168605	XOUCQYWKPJOUPP-SSDOTTSWSA-N	307.372	0.724	70	10	DCIE	
Nc1cc(Cl)ccc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001723	ZPSMOBAKZJNOCJ-UHFFFAOYSA-N	321.761	0.894	70	10	DCIE	
NC(=O)c1cccc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)c1	2144733275	OHBBNTLYHHYRPV-SNVBAGLBSA-N	300.311	0.299	70	10	DCIE	
CN(C)CCN1CCN(c2ccncc2[B-](F)(F)F)CC1	2172783511	GJSODPYHKCUGGX-UHFFFAOYSA-N	301.145	0.820	70	10	DCIE	
COCCC[C@@H](N)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	159407735	IYPIPUGGPKRTQU-LLVKDONJSA-N	315.395	0.335	70	10	DCIE	
CNC[C@H]1CN(c2c(Cl)cnn(CC3CC3)c2=O)CCO1	159846908	HSTKBKHOSCMGIL-NSHDSACASA-N	312.801	0.731	70	10	DCIE	
CC1(O)CCN(S(=O)(=O)c2ccc(C(N)=S)cc2)CC1	160752692	MKNRMSQYOHIWGZ-UHFFFAOYSA-N	314.432	0.856	70	10	DCIE	
C[C@H](NCCF)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1282191131	GFMHILXIGABPIB-YUMQZZPRSA-N	309.338	0.739	70	10	DCIE	
C#CCN(CC)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1567348032	RDOJEYXFPBQWPM-UHFFFAOYSA-N	301.343	0.358	70	10	DCIE	
CC(C)(C)n1nnnc1Cn1cnc(S(=O)(=O)Cl)c1	1885486660	HOJQHWRFJSWTHY-UHFFFAOYSA-N	304.763	0.600	70	10	DCIE	
Cc1c(N)cc(CS(=O)(=O)F)cc1OS(=O)(=O)F	1887561496	REXZDODFPLQZMV-UHFFFAOYSA-N	301.292	0.970	70	10	DCIE	
COCCn1c(-c2cnc(C)n2C)nnc1S(=O)(=O)Cl	2172269105	WRVWADKBZFWRHD-UHFFFAOYSA-N	319.774	0.561	70	10	DCIE	
CO[C@H]1CC[C@H]1CC(=O)Nc1nn(C)cc1S(=O)(=O)F	2186902995	KQNTWVABMSFULG-YUMQZZPRSA-N	305.331	0.832	70	10	DCIE	
COCCn1c([C@]23CCOC[C@H]2C3)nnc1S(=O)(=O)Cl	2194442389	DKNKKLKTXBYAFQ-KCJUWKMLSA-N	321.786	0.530	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2[C@H]3COC[C@H]2C3)c1	2198728011	WBINCWBMNJZDSV-RKDXNWHRSA-N	321.351	0.507	70	10	DCIE	
CS(=O)(=O)c1ccc([C@@H]2CC(=O)N2S(=O)(=O)Cl)cc1	117360240	FLPVVYQQVYULJV-VIFPVBQESA-N	323.779	0.847	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2CCOC2)c1S(=O)(=O)Cl	115020703	VOWICOTUDOQOGA-SSDOTTSWSA-N	307.759	0.412	70	10	DCIE	
COCCn1c([C@@H]2OCC[C@@H]2C)nnc1S(=O)(=O)Cl	133332582	YIUGBTGRGYKJBM-JGVFFNPUSA-N	309.775	0.950	70	10	DCIE	
Cc1[nH]nc(C(=O)OCC2[C@@H]3COC[C@@H]23)c1S(=O)(=O)Cl	2367586712	OXGLMKCUMZFDOS-RNFRBKRXSA-N	320.754	0.695	70	10	DCIE	
O=C(c1ncoc1C(F)F)N1CCN(S(=O)(=O)F)CC1	2163664387	NKOXBLLVCDZELQ-UHFFFAOYSA-N	313.257	0.584	70	10	DCIE	
N#CCNC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1269116235	QHQFUAVEKKDMGQ-LLVKDONJSA-N	314.342	0.294	70	10	DCIE	
C[C@@H](N)[C@H]1CCN(c2cnn(CCN(C)C)c(=O)c2Cl)C1	160002722	IGCIODPDHVJPOX-MNOVXSKESA-N	313.833	0.632	70	10	DCIE	
NC(=O)c1ccc(Oc2ncccc2S(N)(=O)=O)cc1F	160196191	XRMZVFSEOMZTBS-UHFFFAOYSA-N	311.294	0.759	70	10	DCIE	
CS(=O)(=O)N1CCC[C@@H](C(=O)NCC2(CO)CCCC2)C1	160275721	NXRQOSCWQUOWSJ-GFCCVEGCSA-N	318.439	0.327	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CC[C@H](CN)O2)c1	160301592	YEFGDQIQGSIGHC-PRHODGIISA-N	314.363	0.241	70	10	DCIE	
Cc1cc(N)nc(CN2C(=O)c3ccccc3S2(=O)=O)n1	159866377	UDPUQQJTCNEZMB-UHFFFAOYSA-N	304.331	0.712	70	10	DCIE	
COc1ccc(S(=O)(=O)NC[C@@]2(OC)CCOC2)cc1N	159905021	YZJDLHXVHCYYKM-ZDUSSCGKSA-N	316.379	0.361	70	10	DCIE	
CCC[C@H](C(=O)N1CCOC[C@H]1C(=O)NC(C)C)C(N)=S	159786467	JRTDKXYXODNLBA-QWRGUYRKSA-N	315.439	0.441	70	10	DCIE	
O=C(NCCC(=O)N1CC(S(=O)(=O)F)C1)c1ccsc1	1968218571	WWYLMFCDXIYPKO-UHFFFAOYSA-N	320.367	0.378	70	10	DCIE	
CC1(C)CO[C@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)C1	1974394063	CCGHOMXAVDDXAU-JTQLQIEISA-N	308.375	0.596	70	10	DCIE	
CCCNCCn1cc(S(=O)(=O)NC[C@H]2C[C@@H]2C)cn1	160891550	PGTINBBEKVLUDQ-NWDGAFQWSA-N	300.428	0.817	70	10	DCIE	
CCn1c(-c2c([N+](=O)[O-])cnn2C)nnc1S(=O)(=O)Cl	2186530475	DQHZLWOTSLUICJ-UHFFFAOYSA-N	320.718	0.534	70	10	DCIE	
COCc1cc(S(=O)(=O)CCS(=O)(=O)Cl)ccn1	2219051744	POYBHJTYWNOIKS-UHFFFAOYSA-N	313.784	0.570	70	10	DCIE	
O=C(CC1CCSCC1)N[C@@H]1CCN(S(=O)(=O)F)C1	2271491812	LEEHWHPIENRFNB-SNVBAGLBSA-N	310.416	0.925	70	10	DCIE	
C=CCN[C@@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1282193150	PLMIKRCZCQPSQH-IUCAKERBSA-N	303.359	0.955	70	10	DCIE	
CCS(=O)(=O)c1ccccc1NC(=O)COC1(C)CNC1	161101056	UQYKEZURWOXYOJ-UHFFFAOYSA-N	312.391	0.797	70	10	DCIE	
N#Cc1ccc(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)s1	2134977955	ZOONUMDRWQPPDY-UHFFFAOYSA-N	324.380	0.540	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCO[C@@H]([C@H]2CCOC2)C1	2172775569	DOXYZTABXKKWAS-GXSJLCMTSA-N	302.085	0.773	70	10	DCIE	
CN(C[C@@H]1CCCCS1(=O)=O)c1ncc([B-](F)(F)F)cn1	2172786818	WQLONQUFDZVZJH-JTQLQIEISA-N	322.141	0.935	70	10	DCIE	
Cc1ncnc(OCCCN2CCOCC2)c1[B-](F)(F)F	2175866615	UWKSDBMDGGLMCT-UHFFFAOYSA-N	304.101	0.941	70	10	DCIE	
O=C(N1CC(CS(=O)(=O)F)C1)[C@]12CCCCN1CCC2	2199694977	TXHJQQJFUHYPOX-CYBMUJFWSA-N	304.387	0.763	70	10	DCIE	
CCN1CCN(C2CN(CCCCS(=O)(=O)Cl)C2)CC1	2193426017	BWWXXQVDKGNNSI-UHFFFAOYSA-N	323.890	0.657	70	10	DCIE	
O=C(CCOCC(F)(F)F)N1CC[C@@H](S(=O)(=O)F)C1	2088472771	UDPZXAPRRUESIP-SSDOTTSWSA-N	307.265	0.856	70	10	DCIE	
O=C1C[C@@]2(CCCOC23CCOCC3)N1S(=O)(=O)Cl	2098887937	PBNBIHXIFRFYJU-SNVBAGLBSA-N	309.771	0.801	70	10	DCIE	
Cc1nc(CC(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cs1	2271503209	PEKPGGGFEJWHRP-QMMMGPOBSA-N	307.372	0.399	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21	2233179749	BMXRBQXUXVXAHX-GARJFASQSA-N	306.359	0.064	70	10	DCIE	
Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287088193	APULGJLOVAPLFK-JTQLQIEISA-N	322.383	0.562	70	10	DCIE	
CS[C@H]1C[C@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)C1	2335875045	LXNSLOZNFAUKQM-LJGSYFOKSA-N	307.372	0.580	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccccc1C	160518025	GYSPVZZGZGJIGE-LBPRGKRZSA-N	312.391	0.521	70	10	DCIE	
COC(CNC(=O)Nc1ccc(NS(C)(=O)=O)cc1)OC	217282829	VZAHQSUYZAVZLU-UHFFFAOYSA-N	317.367	0.799	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1Cc1cnn(C)c1	302252602	CHJUDSBNGGSLHQ-UHFFFAOYSA-N	319.730	0.809	70	10	DCIE	
C=CCN(C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1699460354	MHHPWZYYRKRESR-SECBINFHSA-N	303.359	0.909	70	10	DCIE	
CN(CC(=O)N1CC[C@@H](S(=O)(=O)F)C1)C(=O)OC(C)(C)C	1885611867	YQKNDAAWGVRVCR-SECBINFHSA-N	324.374	0.754	70	10	DCIE	
Cc1cc(C(=O)N2CCC(S(=O)(=O)F)CC2)nc(C)n1	1968218652	YBCWIWCJERJVSY-UHFFFAOYSA-N	301.343	0.997	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F	1974055649	UJPXGXCICATUNR-IWSPIJDZSA-N	312.313	0.540	70	10	DCIE	
C[C@]1(C(F)F)C[C@@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	1974056003	ZGDHOBGILBLTAP-XCBNKYQSSA-N	300.302	0.540	70	10	DCIE	
O=C(CC[C@@H]1CCOC1)NC1CCN(S(=O)(=O)F)CC1	1974395057	UMAASEZBXJQQFX-SNVBAGLBSA-N	308.375	0.598	70	10	DCIE	
CN(C)S(=O)(=O)c1nccn1-c1ncccc1[B-](F)(F)F	2179121130	UJMRCLSBYIAMAR-UHFFFAOYSA-N	319.097	0.572	70	10	DCIE	
C[C@H]1O[C@@]2(C(=O)N3CCN(S(=O)(=O)F)CC3)CC[C@H]1C2	2199144183	PRPCVTSORQBGMX-SCVCMEIPSA-N	306.359	0.303	70	10	DCIE	
CCc1[nH]nc(C(=O)N(C)C2(C)COC2)c1S(=O)(=O)Cl	2208297094	CDOLHZUIMMIJFG-UHFFFAOYSA-N	321.786	0.761	70	10	DCIE	
Cc1ncc([B-](F)(F)F)cc1OC[C@H]1CCS(=O)(=O)N1C	2279934082	NRYAQFHGTLXPQJ-SNVBAGLBSA-N	323.125	0.857	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CCC[C@H]1C(F)F	2285619460	KKSCBXSDBRHIAD-RKDXNWHRSA-N	314.329	0.930	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	2287068468	IEZDKVQBPOEVCW-MAUMQABQSA-N	312.313	0.683	70	10	DCIE	
CS(=O)(=O)CCn1cc(S(=O)(=O)Cl)nc1C1CC1	704273869	QTGNWYXIPIUPIQ-UHFFFAOYSA-N	312.800	0.733	70	10	DCIE	
CCc1cc(S(=O)(=O)Cl)n(CCS(C)(=O)=O)n1	203535998	OHFDNDLPDYOWBE-UHFFFAOYSA-N	300.789	0.418	70	10	DCIE	
C[C@H]1CCC[C@@H]1CS(=O)(=O)N1CC(CS(=O)(=O)F)C1	2134974778	KBQOCHSXZWYUNS-GXSJLCMTSA-N	313.416	0.984	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1Cc1nnc2n1CCC2	2146907698	AFDMNTQEPHPQSH-UHFFFAOYSA-N	315.786	0.959	70	10	DCIE	
COCCn1c(Cc2cccnc2)nnc1S(=O)(=O)Cl	158063105	PMQLDTJNVWDKOR-UHFFFAOYSA-N	316.770	0.838	70	10	DCIE	
COCCOCCCCNS(=O)(=O)c1ccc(CN)o1	160350115	ZSHOKYMFFGTZBA-UHFFFAOYSA-N	306.384	0.460	70	10	DCIE	
NC(=O)CSCCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1	160477511	JAZMJMAYGJHFJR-SMDDNHRTSA-N	300.424	0.749	70	10	DCIE	
CN(C)C1(CNS(=O)(=O)C[C@@H]2CCCNC2)CCCC1	160951455	CVNMLKBCNIRYQK-CYBMUJFWSA-N	303.472	0.780	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2CC[C@H](C)OC2)c1S(=O)(=O)Cl	401390569	NMUDQYFZCQCCSY-XPUUQOCRSA-N	321.786	0.943	70	10	DCIE	
CO[C@H](C(=O)N1CC(CCS(=O)(=O)F)C1)[C@@H]1CCCO1	2199696190	GVKDWQIVRPSSBO-QWRGUYRKSA-N	309.359	0.328	70	10	DCIE	
CN(C(=O)c1cc(S(=O)(=O)Cl)c[nH]1)C1COCCOC1	2188011549	BGMCTMMXWUDGSN-UHFFFAOYSA-N	322.770	0.430	70	10	DCIE	
O=C(c1ccnc(Cl)n1)N1CCN(S(=O)(=O)F)CC1	2107413487	XZYKOCNTAJIKCD-UHFFFAOYSA-N	308.722	0.102	70	10	DCIE	
COCCn1c(-c2cccnc2)nnc1S(=O)(=O)Cl	133332772	CIOTZIQEBHATAC-UHFFFAOYSA-N	302.743	0.914	70	10	DCIE	
CCOC(=O)C1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	161237782	GBYPSKDVEOEUPK-GFCCVEGCSA-N	321.381	0.578	70	10	DCIE	
CNC(=O)NC(=O)[C@H](C)n1nc(C)c(S(=O)(=O)Cl)c1C	215858651	LMLRFEGLEPRLAN-ZETCQYMHSA-N	322.774	0.444	70	10	DCIE	
O=C(c1ccc(Cl)nc1)N1CCN(S(=O)(=O)F)CC1	1974000696	FBNNHNSLAWUPJE-UHFFFAOYSA-N	307.734	0.707	70	10	DCIE	
Cc1nc(C)c(C(=O)NC2CCN(S(=O)(=O)F)CC2)o1	1974394952	RXFBCBIITLCDIJ-UHFFFAOYSA-N	305.331	0.700	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1CCOC[C@@H]1CF	2126166861	BLNTXXSTTJWGPH-ZETCQYMHSA-N	310.734	0.753	70	10	DCIE	
O=C(c1ncoc1C(F)(F)F)N1CC(S(=O)(=O)F)C1	2134991127	VBABGVRLGDOXCZ-UHFFFAOYSA-N	302.205	0.817	70	10	DCIE	
CO[C@H]1CC[C@H]1CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2186930759	YCUPFTGHCLZUPL-YUMQZZPRSA-N	321.786	0.800	70	10	DCIE	
Cc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)cc1	2208746179	DAPSFAQAUVXJMF-UHFFFAOYSA-N	308.356	0.172	70	10	DCIE	
NC(=O)COCCn1cc(S(=O)(=O)Cl)nc1C1CCC1	2241085730	FXRPMVQCVFHFAF-UHFFFAOYSA-N	321.786	0.580	70	10	DCIE	
COC12CCC(C(=O)NC3CN(S(=O)(=O)F)C3)(CC1)C2	2284154328	YFUODWLVBNJIEG-UHFFFAOYSA-N	306.359	0.350	70	10	DCIE	
Cc1ncnc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1C	2287067279	FSSGHEGXOBNZRC-VIFPVBQESA-N	302.331	0.112	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]1	2359309740	CJCREYLNPKVCLB-HRDYMLBCSA-N	301.343	0.875	70	10	DCIE	
COC(=O)CS(=O)(=O)Nc1ccccc1S(=O)(=O)F	228314562	NCEPFSHNCPQDPB-UHFFFAOYSA-N	311.312	0.260	70	10	DCIE	
C[C@H](CNCC#N)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1270516319	BJELXDGRRLFNQD-MRVPVSSYSA-N	302.331	0.152	70	10	DCIE	
Cc1noc(CN2CCN(C(=O)NCCn3cccn3)CC2)n1	160035414	DQWBUGBDTMWFHE-UHFFFAOYSA-N	319.369	0.102	70	10	DCIE	
Cc1sc2ncn(CC(=O)NC3(CO)CC3)c(=O)c2c1C	160466525	JBJDTUAFLYNMGW-UHFFFAOYSA-N	307.375	0.716	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(C)C[C@H]2CCCN2C)cc1N	159648558	QZSNTXIBYFXLIV-GFCCVEGCSA-N	312.439	0.707	70	10	DCIE	
CCN(CC)CCCNS(=O)(=O)N1CCC(CO)CC1	218640679	FTPBJNXRBOAOIJ-UHFFFAOYSA-N	307.460	0.257	70	10	DCIE	
CC(C)CCOCCn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	112727593	NZPXYJGVGQFEDP-UHFFFAOYSA-N	324.786	0.527	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2CCCOCC2)[nH]1	1923168754	YHUZUZSVTVESCE-QMMMGPOBSA-N	305.331	0.255	70	10	DCIE	
C[C@@H](O)CNCCNc1c(Cl)cnn(CC2CC2)c1=O	160032889	WLGCDDAHAGATPF-SECBINFHSA-N	300.790	0.689	70	10	DCIE	
CS(=O)(=O)c1ccccc1OC(=O)NS(=O)(=O)Cl	2062441058	IONWIAXQXUGWFT-UHFFFAOYSA-N	313.740	0.662	70	10	DCIE	
O=C(NCCc1ccccc1)NC[C@@H](O)Cn1ccccc1=O	218453826	UACWSLOSFXGZNZ-OAHLLOKOSA-N	315.373	0.751	70	10	DCIE	
Cn1ncnc1C[S@](=O)Cc1ccc(S(=O)(=O)F)cc1	857213783	LWLHBBRMAFELMK-LJQANCHMSA-N	317.367	0.922	70	10	DCIE	
Cc1ccc(N2C(=O)C(=O)N(CCS(=O)(=O)F)C2=O)cc1	883953025	DWVAPKYBUHTQRD-UHFFFAOYSA-N	314.294	0.590	70	10	DCIE	
C#C[C@@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1878658034	QLNQXRFDQSYRDH-SECBINFHSA-N	305.352	0.892	70	10	DCIE	
Cn1ncc(S(=O)(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)n1	1879788063	KRSKZZFJKMFKHQ-CBAPKCEASA-N	309.102	0.817	70	10	DCIE	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)F)[C@@H]2COC[C@H]21	1882935844	RQPIFLODYUOIGT-RKDXNWHRSA-N	310.347	0.521	70	10	DCIE	
CCNC(=O)NC(=O)[C@@H](C)n1cnc(S(=O)(=O)Cl)c1	215830947	KTQKSJSZYJYVDL-ZCFIWIBFSA-N	308.747	0.217	70	10	DCIE	
O=S1(=O)CC[C@H]2CN(c3ccncc3[B-](F)(F)F)C[C@H]21	2116143520	BFSYIYNPFZTJRE-GZMMTYOYSA-N	305.110	0.759	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1CCS(=O)(=O)CCO1	2116157061	ARIHFOMQDRPBLP-UHFFFAOYSA-N	309.098	0.611	70	10	DCIE	
Cc1ncnc(N(C)[C@H](C)CS(C)(=O)=O)c1[B-](F)(F)F	2116131833	DZFCHPJTAGKZQS-SSDOTTSWSA-N	310.130	0.709	70	10	DCIE	
O=C(Cc1ccc(S(=O)(=O)Cl)s1)NC1[C@@H]2COC[C@@H]12	2118017335	VHKCNICNXQLBEZ-HTQZYQBOSA-N	321.807	0.979	70	10	DCIE	
CCC(=O)NCCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1687356500	BTVKPIODTWAAKC-UHFFFAOYSA-N	319.358	0.661	70	10	DCIE	
COC(=O)Cn1ncc(N[C@H](CN)CC(C)C)c(Cl)c1=O	159463367	IKWXWKZFEKGDQD-VIFPVBQESA-N	316.789	0.855	70	10	DCIE	
COCCNC(=O)c1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1	115785331	NFEMOSRUMVCRBT-UHFFFAOYSA-N	322.726	0.899	70	10	DCIE	
COc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)nn1C	1968236597	YAYRGOZOEYEWOY-MRVPVSSYSA-N	305.331	0.333	70	10	DCIE	
CCCn1nccc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974055155	NLAXVFVOUOKACL-UHFFFAOYSA-N	304.347	0.169	70	10	DCIE	
C[C@H](O)[C@H](N)CNc1c(Cl)cnn(CC2CCC2)c1=O	159557785	XFIWKFJHFLJTFC-GZMMTYOYSA-N	300.790	0.817	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1[C@@H]1CC(=O)N(C)C1=O	2152395645	BZHAGUKGXLAQFA-SSDOTTSWSA-N	319.770	0.693	70	10	DCIE	
C[C@@H]1C[C@H](CC(=O)Nc2nn(C)cc2S(=O)(=O)F)CO1	2159413926	SPTFFSVDNGZLCI-HTQZYQBOSA-N	305.331	0.832	70	10	DCIE	
COCCn1c([C@@H]2COC[C@H]2C)nnc1S(=O)(=O)Cl	705143514	HDYKEDHZMXDPPY-HTQZYQBOSA-N	309.775	0.602	70	10	DCIE	
O=C(c1c(O)cccc1O)N1CCN(S(=O)(=O)F)CC1	2163658033	KUGQWNVDTUCHFO-UHFFFAOYSA-N	304.299	0.070	70	10	DCIE	
Cc1cc(N2CCN3CCOC[C@@H]3C2)ncc1[B-](F)(F)F	2185882165	LYPITBZLVTZKGD-NSHDSACASA-N	300.113	0.965	70	10	DCIE	
N#CCCNC(=O)COc1ccc(F)cc1S(=O)(=O)F	2191433958	FIFTXYSBQVLGPJ-UHFFFAOYSA-N	304.274	0.893	70	10	DCIE	
O=C(NC1CC1)[C@H]1COCCN1C(=O)c1ccc(Cl)nn1	159515793	CZMZDZKASKXQFI-SNVBAGLBSA-N	310.741	0.250	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cc(C)c(C)cc2N)CCOC1	159913851	KFGLAMNZNOLNCB-AWEZNQCLSA-N	314.407	0.969	70	10	DCIE	
C[C@@H](NCCNC(=O)N(C)C)c1cccc(S(N)(=O)=O)c1	160744424	PXPNXHUXZOWWGJ-SNVBAGLBSA-N	314.411	0.256	70	10	DCIE	
CN(CCS(=O)(=O)F)S(=O)(=O)c1ccc(Cl)nc1	883953002	DFZZYAJIYXNQTF-UHFFFAOYSA-N	316.763	0.655	70	10	DCIE	
Cc1c(OS(=O)(=O)F)cc(S(=O)(=O)F)cc1C(=O)O	1887510460	WIEONKGKDWRNII-UHFFFAOYSA-N	316.259	0.945	70	10	DCIE	
O=S1(=O)C[C@@H]2CCN(c3ncncc3[B-](F)(F)F)[C@H]2C1	2116139489	AAFWNWGYKGRYDT-CBAPKCEASA-N	306.098	0.154	70	10	DCIE	
COc1nn(C[C@H](C)N(C)C)c(OC)c1S(=O)(=O)Cl	2121109803	JKUVHIZKXWBSRI-ZETCQYMHSA-N	311.791	0.778	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@@H]1CCO1	2133033040	QMRKWOWIKGHQTK-QMMMGPOBSA-N	306.771	0.954	70	10	DCIE	
O=C(N1CCC[C@H](S(=O)(=O)F)C1)[C@]12COC[C@@H]1C2(F)F	2161913275	MUFIYSRSABFCMW-NRPADANISA-N	313.297	0.558	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)C1(Br)CCC1	2243728702	QXPURAJYCJWDMF-UHFFFAOYSA-N	315.164	0.319	70	10	DCIE	
O=C(NCCCN1C(=O)c2ccccc2C1=O)Nc1nc[nH]n1	217306218	PGQFDVUOJWZQII-UHFFFAOYSA-N	314.305	0.613	70	10	DCIE	
Cn1ncnc1CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1528227555	PXRJCAKWLMVCLF-UHFFFAOYSA-N	315.330	0.164	70	10	DCIE	
CS(=O)(=O)N1CCC[C@@H](CNCC2(CO)CCCC2)C1	160141427	SDTFMWSUGHGMSW-ZDUSSCGKSA-N	304.456	0.800	70	10	DCIE	
CN[C@@H](CCN(C)CCS(C)(=O)=O)c1ccc(F)cn1	161336801	OJIYHPHANKWMLQ-LBPRGKRZSA-N	303.403	0.848	70	10	DCIE	
COCCn1c(C[C@H]2CCOC2)nnc1S(=O)(=O)Cl	401516572	LGTRDUMKHKCBCB-MRVPVSSYSA-N	309.775	0.431	70	10	DCIE	
Cc1nc(N2CC[C@@H](NS(C)(=O)=O)C2)ccc1[B-](F)(F)F	2172782385	QMZDCWKRWNOUKT-SECBINFHSA-N	322.141	0.572	70	10	DCIE	
COCCn1c([C@@]2(C)CCCOC2)nnc1S(=O)(=O)Cl	2190128928	BEKKQUYUGVDKGO-NSHDSACASA-N	323.802	0.920	70	10	DCIE	
O=S1(=O)CC[C@@H]2CN(c3nc([B-](F)(F)F)cs3)C[C@H]21	2052596872	FDTWIIHMXPWRAC-RNFRBKRXSA-N	311.139	0.821	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)CCc2ccccn2)C1	2199685910	IZCZCYOECXTERU-UHFFFAOYSA-N	322.383	0.185	70	10	DCIE	
Cc1ccc(O)c(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1	2287076363	RSSPKCNSCHANIH-VIFPVBQESA-N	302.327	0.719	70	10	DCIE	
Cc1noc([C@@H](C)N2CCN(C(=O)C[C@H](O)C(C)C)CC2)n1	159661775	BDKUJDPKPSMZEE-YPMHNXCESA-N	310.398	0.990	70	10	DCIE	
O=C(NCC1CCN(CCO)CC1)c1cccc2c1OCO2	160583992	MLWMQHJJMCQUAH-UHFFFAOYSA-N	306.362	0.849	70	10	DCIE	
Cc1nn(CCCN)c(C)c1S(=O)(=O)NC[C@@H]1C[C@@H]1C	160802221	NVYAOKOMNRVIBK-CABZTGNLSA-N	300.428	0.783	70	10	DCIE	
COCCn1c([C@@]2(C)CCOC2)nnc1S(=O)(=O)Cl	687416857	GSKKJRXXUCQMJK-JTQLQIEISA-N	309.775	0.530	70	10	DCIE	
O=S(=O)(Cl)CCCCN1CCCS(=O)(=O)CC1	689054049	IHPPCNXVXPPMTP-UHFFFAOYSA-N	303.833	0.456	70	10	DCIE	
O=C(NC[C@]12COC[C@H]1C2)c1cc(S(=O)(=O)Cl)c[nH]1	689331640	WBEUIOVACUUKHC-RDDDGLTNSA-N	304.755	0.709	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@]12COC[C@H]1C2	718093374	CHFQGYBOPQCXRI-RDDDGLTNSA-N	304.755	0.471	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2CC[C@@H]2OC)c1S(=O)(=O)Cl	724418411	DJHLTIABXOABLZ-SFYZADRCSA-N	321.786	0.807	70	10	DCIE	
CC[C@H]1[C@@H](CO)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1348404417	GDNNLSASTMJQAJ-KCJUWKMLSA-N	304.343	0.906	70	10	DCIE	
Cc1c(OS(=O)(=O)F)cc(N2CCNCC2)cc1C(=O)O	1887515386	NILKXGPROYUBPM-UHFFFAOYSA-N	318.326	0.696	70	10	DCIE	
CN1CCN(S(=O)(=O)F)[C@@H](CNC(=O)OC(C)(C)C)C1	1954657114	VLBDJEWFQUGPLG-VIFPVBQESA-N	311.379	0.341	70	10	DCIE	
CCc1nn(C)c(C(=O)N2CC(S(=O)(=O)F)C2)c1Cl	1968216089	SLGFFAVWIDMNJG-UHFFFAOYSA-N	309.750	0.760	70	10	DCIE	
O=C(C[C@H]1CCCOCC1)NCC1CN(S(=O)(=O)F)C1	1974055316	PIGHAKHTXAOXST-JTQLQIEISA-N	308.375	0.456	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)CCc2ccccc2)C1	2134976038	VFWJUJHKGSBRBD-UHFFFAOYSA-N	307.368	0.542	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@@H]1OCC[C@H]1F	2179095176	FVUNUGXYVWQUQX-SCZZXKLOSA-N	324.761	0.809	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1CCC(=O)N(C)C	2182344414	PVHDCDSKQXSNEF-UHFFFAOYSA-N	323.802	0.825	70	10	DCIE	
CN1CC[C@@H]2OCCN(c3ncncc3[B-](F)(F)F)[C@H]2C1	2185498299	WPETVTYFUHFBJW-QWRGUYRKSA-N	301.101	0.440	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2C3COCC2COC3)n1	2280632289	QTJHKYHQUWKBSD-UHFFFAOYSA-N	303.069	0.749	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1c(F)cc(F)cc1F	2284153273	JOALFXABOBWVFZ-UHFFFAOYSA-N	312.244	0.732	70	10	DCIE	
CO[C@H](C(=O)NC1CN(S(=O)(=O)F)C1)C1CCCCC1	2284153322	KLYCROOIHVFKLZ-NSHDSACASA-N	308.375	0.596	70	10	DCIE	
Nc1cc(F)cc(F)c1C(=O)NC1CN(S(=O)(=O)F)C1	2286935709	QWTFOPFYQIUFJJ-UHFFFAOYSA-N	309.269	0.175	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C(F)(F)[C@@H]1CCOC1	2287075965	PWPXGTLCKKLRAH-SFYZADRCSA-N	316.301	0.063	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2C=C[C@H]1CC2	2287076163	HFLAUEHYSUAYMT-NNYUYHANSA-N	302.371	0.994	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N[C@H]2CCC(=O)NC2)c1F	159523424	UBAWQWHUJUANTG-VIFPVBQESA-N	301.343	0.273	70	10	DCIE	
CC(C)(C)NC(=O)CNC(=O)C1(C(N)=S)CCOCC1	159878862	SIJHFDVAGLZUQJ-UHFFFAOYSA-N	301.412	0.100	70	10	DCIE	
CCN(CC)[C@@H](C)CNC(=O)c1ccnc2c(C(N)=O)cnn12	159979325	GRYCYFRPHQWDFN-JTQLQIEISA-N	318.381	0.288	70	10	DCIE	
C[C@@]1(C(=O)Nc2cc(S(C)(=O)=O)ccc2O)COC[C@@H]1N	160318663	PZVBYHYKNYSRAW-WCQYABFASA-N	314.363	0.098	70	10	DCIE	
CCn1cc(S(=O)(=O)NC[C@H](C)N2CCCC2)c(N)n1	160759027	KLSDTZWYEBBBAV-JTQLQIEISA-N	301.416	0.248	70	10	DCIE	
Cc1cc(C[C@H](C)NC(=O)CNC(=O)c2cccnc2)n[nH]1	161189660	FAHUKUIUYPFLLZ-JTQLQIEISA-N	301.350	0.590	70	10	DCIE	
CS(=O)(=O)N1CCN(C(=O)Nc2ccc3[nH]cnc3c2)CC1	217302625	CZGXXYSCMOODNR-UHFFFAOYSA-N	323.378	0.672	70	10	DCIE	
CS(=O)(=O)N1CCN(C(=O)NCOc2ccccc2)CC1	217305699	IPPOWLKSFRYVMW-UHFFFAOYSA-N	313.379	0.310	70	10	DCIE	
CCOC(=O)CC1CC(=O)N(CCS(=O)(=O)F)C(=O)C1	883954318	IEXWTBUYKCXZJG-UHFFFAOYSA-N	309.315	0.004	70	10	DCIE	
CC#CCNC/C=C\CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1274367515	CAWFAIIFYCUGSN-PLNGDYQASA-N	313.354	0.572	70	10	DCIE	
CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)F)[C@@H]2COC[C@H]12	1954655468	HLECCPUBUJXXML-IWSPIJDZSA-N	310.347	0.425	70	10	DCIE	
C[C@H]1CCS[C@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394373	IASZCMLFLIUYJP-WCBMZHEXSA-N	310.416	0.923	70	10	DCIE	
COc1ccnc(S(=O)(=O)CCS(=O)(=O)Cl)c1C	2043465048	SLSACRGWERJHBG-UHFFFAOYSA-N	313.784	0.741	70	10	DCIE	
Cc1cc(CS(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)no1	2088468520	CQLDEOLFOGZQPE-SECBINFHSA-N	312.344	0.186	70	10	DCIE	
Cc1nc(N2CCO[C@H](CN(C)C)C2)ncc1[B-](F)(F)F	2172758049	KXPFWOPXOAUFRZ-SNVBAGLBSA-N	303.117	0.606	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCN([C@H]3CCOC3)CC2)nc1	2172778268	NKQCTRXVSDHHIK-NSHDSACASA-N	301.101	0.442	70	10	DCIE	
O=C([C@H]1C[C@@H]1C1CCOCC1)N1CC(CS(=O)(=O)F)C1	2200090577	KKTKHXWZQCOGKC-NEPJUHHUSA-N	305.371	0.807	70	10	DCIE	
COC1CN(S(=O)(=O)N2CC[C@@](C)([B-](F)(F)F)C2)C1	2319668135	DGKMUDLTMPPMCQ-SECBINFHSA-N	301.119	0.875	70	10	DCIE	
CCNc1nnc(C(=O)N[C@H]2CCCS(=O)(=O)C2)s1	160308932	LJJPKXHIJNRFKC-ZETCQYMHSA-N	304.397	0.277	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)NCC2(CO)CCCC2)C[C@H](C)O1	160347752	GULOBQSPNVBPGW-RYUDHWBXSA-N	306.428	0.483	70	10	DCIE	
CN([C@@H]1CCOC1)S(=O)(=O)N1CCC(CNC2CC2)CC1	161070442	PUPPGCAHSFRECX-CQSZACIVSA-N	317.455	0.416	70	10	DCIE	
CC1(C)CC[C@H](CC(CO)(CO)[C@H]2CCS(=O)(=O)C2)O1	161364418	JHSBINSHWUWOPC-NWDGAFQWSA-N	306.424	0.740	70	10	DCIE	
O=C(OC[C@H]1COCCO1)c1ccc(S(=O)(=O)F)cc1	490537176	PACVCGKRJGQPPH-SNVBAGLBSA-N	304.295	0.917	70	10	DCIE	
O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(S(=O)(=O)F)c[nH]1	1339033389	GJXAGQKGNBADPV-AEJSXWLSSA-N	314.338	0.994	70	10	DCIE	
CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1	1349067031	LZZILTBLKLHVCA-NWDGAFQWSA-N	315.370	0.982	70	10	DCIE	
Cn1c([C@@H]2C[C@H]2Br)nnc1S(=O)(=O)Cl	1877336670	OPRAHKKJPMRSOX-QWWZWVQMSA-N	300.565	0.993	70	10	DCIE	
COCCN(C)C1CN(CCC[C@@H](C)S(=O)(=O)Cl)C1	1877407739	RZPZIEKYGYGXIT-LLVKDONJSA-N	312.863	0.986	70	10	DCIE	
Cc1ncnc(C)c1C(=O)N1CCC(S(=O)(=O)F)CC1	1968217796	NXLDVWFVAYJGLX-UHFFFAOYSA-N	301.343	0.997	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1C(F)(F)C12CCC2	1974055893	XNAKDPVBTZWBOO-QMMMGPOBSA-N	312.313	0.684	70	10	DCIE	
O=C([C@H]1C[C@H]1Br)N1CC(CCS(=O)(=O)F)C1	1992831857	QFBYETKQMBLAAD-JGVFFNPUSA-N	314.176	0.918	70	10	DCIE	
O=C(N1CCN(S(=O)(=O)F)CC1)[C@@]12CCC[C@@H]1OCC2	2163668516	YFRSRQNVARTKRS-CMPLNLGQSA-N	306.359	0.304	70	10	DCIE	
COc1cccc(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)c1	2199686867	SAODSVIBJMYCLO-UHFFFAOYSA-N	323.367	0.615	70	10	DCIE	
COCc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)cc1	2284152458	XRRDPHCESXEVEY-UHFFFAOYSA-N	302.327	0.461	70	10	DCIE	
Cc1nc(OCCN2CCN(C)CC2)ncc1[B-](F)(F)F	2296335313	YMIPIMCUHQXMQW-UHFFFAOYSA-N	303.117	0.466	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1CCOC[C@H](F)C1	2361817790	CKFAYLPWGBWXOV-MRVPVSSYSA-N	324.761	0.763	70	10	DCIE	
C[C@H](N)c1ccc(S(=O)(=O)NCC(=O)NC(C)(C)C)cc1	159897581	CFMIMMOQVOOOPU-JTQLQIEISA-N	313.423	0.899	70	10	DCIE	
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2(CO)CC2)cc1	160417588	NBWWFXJVVWKRLQ-NSHDSACASA-N	312.391	0.303	70	10	DCIE	
CCc1cc(O)nc(CN2CCC(N3CCNC3=O)CC2)n1	160934781	CKVTYTDBIICMHU-UHFFFAOYSA-N	305.382	0.734	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H]1C(=O)N(C)C	161033044	NDUNCFXHDHTTSP-NSHDSACASA-N	322.365	0.563	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(N)ccc1OC	218143711	OOZJPQGVFRLBBK-UHFFFAOYSA-N	301.368	0.034	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1Cc1cnn(C)n1	389024408	BVQSVVCSSTYOID-UHFFFAOYSA-N	303.775	0.940	70	10	DCIE	
CC[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC[C@@H](C)O	1269470987	DAKXUSAETCDGQK-BDAKNGLRSA-N	321.374	0.152	70	10	DCIE	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC(=O)N1S(=O)(=O)Cl	1953616037	UXBLCGZIOZXRFG-RQJHMYQMSA-N	312.775	0.984	70	10	DCIE	
Cc1ncccc1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974402152	KIJKGHRKFLNULD-UHFFFAOYSA-N	301.343	0.799	70	10	DCIE	
COCCn1c([C@@]2(C)CCCN2C)nnc1S(=O)(=O)Cl	2154950087	YYJAHODGHUDJOP-LLVKDONJSA-N	322.818	0.793	70	10	DCIE	
Cc1ncc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)n1C	2172304964	GMRRKCJDJQODCO-UHFFFAOYSA-N	319.730	0.809	70	10	DCIE	
COc1nc(N2CCO[C@H]3COC[C@@H]32)ncc1[B-](F)(F)F	2192638242	WUHZZTHGJUPRFT-IUCAKERBSA-N	304.057	0.144	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21	2287073555	WEOGNECQVREGHB-BZNPZCIMSA-N	312.313	0.683	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1C[C@@H]2CC[C@H]1O2	2354990998	LVRGZQFPEDNLTM-BIIVOSGPSA-N	320.754	0.444	70	10	DCIE	
COC[C@@H](C)CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	115020033	VNWHUWFJNIXUHD-LURJTMIESA-N	309.775	0.658	70	10	DCIE	
CO[C@@H]1CN(c2ncc([B-](F)(F)F)cn2)[C@H](CF)[C@H]1OC	2366546299	OMXCAWQHBBPMJN-OPRDCNLKSA-N	308.064	0.719	70	10	DCIE	
CN(C[C@@H]1CCO1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	2366930798	UIVSNWSTKQKERP-VIFPVBQESA-N	323.367	0.754	70	10	DCIE	
CCn1c(C(C)(C)S(C)(=O)=O)nnc1S(=O)(=O)Cl	227586525	VMPSYIRXGIFAIT-UHFFFAOYSA-N	315.804	0.505	70	10	DCIE	
Cc1n[nH]c(C)c1C(=O)NC1CCN(S(=O)(=O)F)CC1	2169025159	RHMJIKLERITSSA-UHFFFAOYSA-N	304.347	0.435	70	10	DCIE	
C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H](C)NCCF	1282191130	GFMHILXIGABPIB-SFYZADRCSA-N	309.338	0.739	70	10	DCIE	
CSC[C@](C)(O)CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1	217697059	AFBZCISYDQJUMI-BXUZGUMPSA-N	300.424	0.475	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CCN(C)C1	2125941749	HBLFWFAPBOMYPB-VIFPVBQESA-N	307.803	0.909	70	10	DCIE	
O=C(NC[C@H](O)c1ccccc1)N[C@H]1CCc2ncnn2C1	161055617	AVHBSOZNYWCMHI-STQMWFEESA-N	301.350	0.626	70	10	DCIE	
CN1CCO[C@H](CNC(=O)c2csc(S(C)(=O)=O)c2)C1	161167822	NPDGDNASUHGMMD-SNVBAGLBSA-N	318.420	0.212	70	10	DCIE	
Nc1cc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccn1	160895737	VTVJOIGWZKZBKZ-BXUZGUMPSA-N	311.407	0.980	70	10	DCIE	
CN(C)C(=O)NCCNCC(=O)N1CCc2sccc2C1	160959760	ARJAERALYAGPNC-UHFFFAOYSA-N	310.423	0.494	70	10	DCIE	
O=S(=O)(C[C@H]1CCOC1)N1CCC(Cn2cccn2)CC1	159405952	NODFICCPMHUDEU-AWEZNQCLSA-N	313.423	0.961	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1C(=O)[C@H](C(N)=S)C(C)C	159785660	XBKSSEPXCUJRKF-QWRGUYRKSA-N	315.439	0.297	70	10	DCIE	
CO[C@]1(C(F)(F)F)C[C@H](C(=O)N2CC(S(=O)(=O)F)C2)C1	1972979703	LPZOLRFISGGRQW-KZCWHLCOSA-N	319.276	0.854	70	10	DCIE	
CCN(c1cnn(CCOC)c(=O)c1Cl)[C@H]1CCNC1	159383877	SUTKFWHPOQRZSY-JTQLQIEISA-N	300.790	0.731	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CCCS1(=O)=O	694502159	ZFIAYGJBNYGUFU-QMMMGPOBSA-N	312.800	0.696	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1COCCO1	2182344633	RQLXTCQXPPLMGA-SECBINFHSA-N	324.786	0.763	70	10	DCIE	
O=C(COc1ccc(S(=O)(=O)F)cc1)N1CCOCC1	2191426057	KRZQNJJTPCWDEQ-UHFFFAOYSA-N	303.311	0.582	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)C[C@H]2CC[C@@H](F)C2)C1	2093987365	YBXBYPCADYKRSN-IVZWLZJFSA-N	317.379	0.828	70	10	DCIE	
CCCCc1nc(S(=O)(=O)Cl)cn1CC(=O)NCC#N	2237595610	SGDHMCLBPVXJPQ-UHFFFAOYSA-N	318.786	0.793	70	10	DCIE	
O=C([C@@H]1OCC[C@H]1C(F)(F)F)N1CC[C@@H](S(=O)(=O)F)C1	2240536290	PCZYXNCHVTUERY-BWZBUEFSSA-N	319.276	0.854	70	10	DCIE	
C[C@H]1CCCN(S(=O)(=O)NCCS(=O)(=O)Cl)C1	124142372	SMZGEEYQXHIILB-QMMMGPOBSA-N	304.821	0.121	70	10	DCIE	
NC(=O)Nc1cccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c1	160369450	QXDZUOOOAUPNJR-CQSZACIVSA-N	318.377	0.770	70	10	DCIE	
CC(C)c1cnc(S(=O)(=O)C[C@@H](C)CS(C)(=O)=O)n1C	160393695	WSKHKXWAIIEFKG-JTQLQIEISA-N	322.452	0.998	70	10	DCIE	
C[C@@H]([C@@H](C)NC(=O)c1cnc2c(c1)ncn2C)N1CCOCC1	160404686	WGBVBPHJMLLRAE-NEPJUHHUSA-N	317.393	0.807	70	10	DCIE	
Cc1ccc(NS(=O)(=O)N(C)CCCN)cc1N(C)C	161147430	PTNQFONMDJRTBP-UHFFFAOYSA-N	300.428	0.998	70	10	DCIE	
CC(C)(COc1ncn(-c2ccccc2)n1)CS(N)(=O)=O	161360581	HKIZOMLOMOSCAM-UHFFFAOYSA-N	310.379	0.961	70	10	DCIE	
NC(=O)CCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl	215623861	LRFSJEAOZKJEPS-UHFFFAOYSA-N	308.699	0.777	70	10	DCIE	
CC/C=C/NC(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1	218477696	UWNKIJJCULOACO-PZBABLGHSA-N	303.428	0.670	70	10	DCIE	
COCCn1c(CCn2cccn2)nnc1S(=O)(=O)Cl	381008867	OIMYAPLEDLHNOF-UHFFFAOYSA-N	319.774	0.291	70	10	DCIE	
O=C(N[C@@H]1[C@@H]2C[C@H]3[C@H](CO[C@H]31)C2)c1cc(S(=O)(=O)F)c[nH]1	1350017213	XHWYONKXYWFSHE-AYPAVAEKSA-N	314.338	0.826	70	10	DCIE	
COCc1nc(C(=O)N2CCN(S(=O)(=O)F)CC2)cs1	1974001681	YQZQIBGDSZVKGZ-UHFFFAOYSA-N	323.371	0.262	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccnc(Cl)c1	1974057816	AOKWLJRVODVAOE-UHFFFAOYSA-N	307.734	0.611	70	10	DCIE	
Cc1cnn2c(S(=O)(=O)CCS(=O)(=O)Cl)ccnc12	2099784055	JCWURWQYMHNCRQ-UHFFFAOYSA-N	323.783	0.380	70	10	DCIE	
O=C1CC(S(=O)(=O)Nc2ccc(S(=O)(=O)F)nc2)C1	2116697933	GDAWXRWPODXVBM-UHFFFAOYSA-N	308.312	0.213	70	10	DCIE	
C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CC[C@@H](S(=O)(=O)F)C1	2144732393	FHNNMTBNCSZTNL-BBBLOLIVSA-N	306.359	0.049	70	10	DCIE	
COC[C@H]1CN(c2nc(C)nc(C)c2[B-](F)(F)F)CCO1	2172769863	CUFSEZZPYDNLRL-SNVBAGLBSA-N	304.101	0.999	70	10	DCIE	
O=S1(=O)CCC[C@@H]2CN(c3ncncc3[B-](F)(F)F)C[C@H]21	2172785556	LQRBEECVLAVOIO-PSASIEDQSA-N	320.125	0.544	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cn1)[C@H]1CO[C@]2(CCOC2)C1	2178995931	LMCQXWQYVMPMEP-ZYHUDNBSSA-N	302.085	0.915	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CCCC(=O)N1	2182342784	CYWNSEVZKHUTAF-MRVPVSSYSA-N	321.786	0.626	70	10	DCIE	
O=C(N1CCC[C@H](S(=O)(=O)F)C1)C(F)(F)[C@@H]1CCOC1	2185237629	VBLQGSDVZQALLP-BDAKNGLRSA-N	315.313	0.949	70	10	DCIE	
COCCn1cccc1C(=O)N1CC(CS(=O)(=O)F)C1	2199691033	WGMIIEOPBTUWHS-UHFFFAOYSA-N	304.343	0.506	70	10	DCIE	
CN(CC1COC1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	2285333466	MFVINIYGJYIXRR-UHFFFAOYSA-N	323.367	0.612	70	10	DCIE	
O=S1(=O)CC[C@@H](S(=O)(=O)N2CC[C@H]([B-](F)(F)F)C2)C1	2319679400	GLJNAHHOKZUJMR-JGVFFNPUSA-N	320.143	0.427	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CCOCC(F)F	2353456364	MNAHQJCQCWXSQU-UHFFFAOYSA-N	318.685	0.158	70	10	DCIE	
Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCC[C@H](C(N)=O)C1	160201700	JVWDRDCWVXFQIY-VHSXEESVSA-N	301.368	0.614	70	10	DCIE	
C[C@H]1OCC[C@H]1N(C)C(=O)c1cc(F)ccc1S(N)(=O)=O	160507447	BFZXKSHHLCPTIC-LDYMZIIASA-N	316.354	0.723	70	10	DCIE	
Nc1cc(F)cc(S(=O)(=O)NCCNC(=O)C2CC2)c1	160643306	BIRLENGHGLBRDZ-UHFFFAOYSA-N	301.343	0.212	70	10	DCIE	
CCOC(=O)CN(C)C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1	160832023	JEVKPICXZQNENE-CZUORRHYSA-N	312.410	0.635	70	10	DCIE	
O=C(NCCNc1nc(Cl)nc(-n2cccn2)n1)C1CC1	160903564	QTBIEYDSNJJLGU-UHFFFAOYSA-N	307.745	0.649	70	10	DCIE	
CC(C)S(=O)(=O)N(CCN1CCOCC1)C1CCOCC1	217285475	CAOWOKBWIQSZOH-UHFFFAOYSA-N	320.455	0.538	70	10	DCIE	
CN[C@H](C)c1cccc(S(=O)(=O)N(C)C[C@@H](O)COC)c1	218037766	VLNBKSDYYKDSDL-DGCLKSJQSA-N	316.423	0.595	70	10	DCIE	
CC(=O)c1ccc(S(=O)(=O)Cl)c(OC[C@H](O)CO)c1	260855709	BPYCELCLYOPIAF-SECBINFHSA-N	308.739	0.549	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@H]1[C@@H]2COC[C@H]12	385911000	HTTKWLPQOYRELD-OWUUHHOZSA-N	318.782	0.575	70	10	DCIE	
O=S1(=O)CCC(Cn2cnc(S(=O)(=O)Cl)c2)CC1	694498302	NKNBXUCMWSDHNM-UHFFFAOYSA-N	312.800	0.635	70	10	DCIE	
CCC(=O)NC/C=C/CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1501616898	OPKSHOCROFRDGI-ONEGZZNKSA-N	317.342	0.485	70	10	DCIE	
C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N(C)CCF	1570736532	ZZZUGONKNGUGAY-QMMMGPOBSA-N	309.338	0.693	70	10	DCIE	
CC[C@H](CCCN1CCS(=O)(=O)CC1)S(=O)(=O)Cl	2037941819	JAZLQIGLABVUAY-SNVBAGLBSA-N	317.860	0.844	70	10	DCIE	
CS(=O)(=O)N[C@H]1CCN(c2nc([B-](F)(F)F)cs2)C1	2052596689	KKLKZBWBLYGILE-LURJTMIESA-N	314.143	0.325	70	10	DCIE	
COc1nn(Cc2ncon2)c(OC)c1S(=O)(=O)Cl	2093415510	OGWXSDKYKKQSMJ-UHFFFAOYSA-N	308.703	0.259	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)[C@@H]2CCCC[C@@H]2F)C1	2118937204	QIPGZPRHDZPBCD-KXUCPTDWSA-N	317.379	0.971	70	10	DCIE	
COCC(C)(COC)NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2152450866	ZMSDSBYLPLMBDV-UHFFFAOYSA-N	324.786	0.724	70	10	DCIE	
CN1CCN(CCOC[C@@H](CS(=O)(=O)Cl)C2CC2)CC1	2296334970	UVCYAUSSNJSYFU-ZDUSSCGKSA-N	324.874	0.845	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1C(=O)[C@@H](N)c1cccs1	159700527	GMHWLSVYEAXMGO-PWSUYJOCSA-N	311.407	0.500	70	10	DCIE	
COCCOCCCCNS(=O)(=O)c1cnccc1N	160014029	SHWYNIMIFKOSFT-UHFFFAOYSA-N	303.384	0.385	70	10	DCIE	
CCn1cc(S(=O)(=O)NCC2(CO)CCCC2)c(N)n1	160041612	RLGGJZVRYWHCDT-UHFFFAOYSA-N	302.400	0.316	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CC[C@H](CN)O2)c1	160301465	YEFGDQIQGSIGHC-PELKAZGASA-N	314.363	0.241	70	10	DCIE	
CNc1ncc(Cl)c(N2CCOC[C@@H]2C(=O)NC(C)C)n1	160582566	YFIRZIWPBYWGGW-SNVBAGLBSA-N	313.789	0.902	70	10	DCIE	
COc1ccc(CCNC(=O)N2CCN(C=O)CC2)cc1OC	217308057	WZMDEMIEQDJGHG-UHFFFAOYSA-N	321.377	0.730	70	10	DCIE	
COc1ccc(CCNS(=O)(=O)N(C)CCCO)cc1	217401558	BHLIVRPHOKZBMD-UHFFFAOYSA-N	302.396	0.386	70	10	DCIE	
COC(=O)CCN(C)C(=O)/C=C\S(=O)(=O)c1ccccc1	218062855	NTZSKNNVOMRKJY-LUAWRHEFSA-N	311.359	0.996	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2C[C@]2(C)OC)c1S(=O)(=O)Cl	703695268	OLUZFAVIVYBSDI-CPCISQLKSA-N	321.786	0.807	70	10	DCIE	
N#CCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1C1CC1	704279872	MFBBWZLSWMPYPR-UHFFFAOYSA-N	302.743	0.328	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2CO3)cc1	718308803	QEIDJMWNBMXVNS-IUCAKERBSA-N	321.351	0.507	70	10	DCIE	
C[C@@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)[S@@](C)=O	1346928691	CPOWUFVIASYXIB-ULCDLSAGSA-N	310.372	0.560	70	10	DCIE	
CCC(=O)NC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1358581342	GXLIPYTWIZTKJH-QMMMGPOBSA-N	317.342	0.414	70	10	DCIE	
C[C@H](O)CNCC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1668214642	MOFXZQHMZLJASI-IUCAKERBSA-N	321.374	0.152	70	10	DCIE	
CCN1C[C@H](C(=O)N2CCC(S(=O)(=O)F)CC2)CC1=O	1968218560	WTTBSAWXCNFUKS-SECBINFHSA-N	306.359	0.145	70	10	DCIE	
O=C(c1ccc(Cl)nn1)N1CCN(S(=O)(=O)F)CC1	1974001183	ONHMEIGTXQTZBN-UHFFFAOYSA-N	308.722	0.102	70	10	DCIE	
Nc1cc(F)ccc1C(=O)NCC1CN(S(=O)(=O)F)C1	1974060766	XONIYKZUNKSWFF-UHFFFAOYSA-N	305.306	0.284	70	10	DCIE	
Cc1ncnc(N2CCO[C@]3(CCOC3)C2)c1[B-](F)(F)F	2172764705	HEHAYTGNQOCRPF-GFCCVEGCSA-N	302.085	0.835	70	10	DCIE	
Cc1nc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)ncc1[B-](F)(F)F	2172765465	RJTKREQMJHDMSA-PSASIEDQSA-N	320.125	0.463	70	10	DCIE	
CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc([B-](F)(F)F)cn1	2172785728	WCWJHSJMWHSRMG-VHSXEESVSA-N	323.125	0.384	70	10	DCIE	
CN(C1COC1)C1CN(c2ncc(F)cc2[B-](F)(F)F)C1	2188591473	BYXXPUWHOSPELP-UHFFFAOYSA-N	304.076	0.794	70	10	DCIE	
Cc1[nH]nc(C(=O)OCC2CN(C)C2)c1S(=O)(=O)Cl	2335381861	BPFLIFQLVIMWGZ-UHFFFAOYSA-N	307.759	0.364	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1c(N)cccc1F	161011528	NKHVACSQICLECO-UHFFFAOYSA-N	318.370	0.570	70	10	DCIE	
Cc1noc([C@@H]2COCCN2C[C@H](O)COCc2ccco2)n1	161139345	NRHMWBKUMNYHOZ-JSGCOSHPSA-N	323.349	0.922	70	10	DCIE	
CN(CC[C@H](O)c1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1	161357221	IEGWSWRPWJTBHU-YPMHNXCESA-N	302.371	0.763	70	10	DCIE	
COCCNC(=O)[C@@H](C)n1nc(C)c(S(=O)(=O)Cl)c1C	215786454	WZSRSUCKLDWYPJ-SECBINFHSA-N	323.802	0.751	70	10	DCIE	
CCOC(=O)NCCNC(=O)N[C@H]1CC(=O)N(C(C)C)C1	217289327	XPVDHLSEMDJBDQ-JTQLQIEISA-N	300.359	0.041	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1Cc1nc(C)nn1C	692880707	BESZYDHGCRDWSV-UHFFFAOYSA-N	303.775	0.858	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@@H]3CCC[C@@H]32)[nH]1	1923166746	DGLWGRZSXBBTST-XHNCKOQMSA-N	301.343	0.875	70	10	DCIE	
C[C@H]1CCS[C@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923174330	RNBOIGVFRGUPCV-POYBYMJQSA-N	307.372	0.580	70	10	DCIE	
O=C(OC[C@H]1COCCCO1)c1cc(S(=O)(=O)Cl)c[nH]1	2154025362	HOTDXQRLKIVCJZ-MRVPVSSYSA-N	323.754	0.905	70	10	DCIE	
Cc1ncnc(N2CC[C@H]3OCCO[C@H]3C2)c1[B-](F)(F)F	2172769128	SOSLTOONKOMGIK-ZJUUUORDSA-N	302.085	0.834	70	10	DCIE	
O=S(=O)(NC1CN(c2ncccc2[B-](F)(F)F)C1)C1CC1	2172775021	WABGUQBZGWSGKQ-UHFFFAOYSA-N	320.125	0.406	70	10	DCIE	
CO[C@H]1COC[C@@H]1NC(=O)c1ccc(S(=O)(=O)Cl)cc1	2177284381	RDWVCRRXKRVMIG-QWRGUYRKSA-N	319.766	0.758	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)C1CC2(C1)CC21CCC1	2284151012	NPXIEOVUPQAWOJ-UHFFFAOYSA-N	302.371	0.972	70	10	DCIE	
Cc1ncnc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1C	2287067274	FSSGHEGXOBNZRC-SECBINFHSA-N	302.331	0.112	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1COC2(CCC2)C1	2287072750	ZNBHWUKLOUCNFE-NXEZZACHSA-N	306.359	0.350	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1C[C@@H]2CO[C@H]1C2	2359538184	OWNOSAHNPJCEQQ-NMLBEHRDSA-N	318.782	0.860	70	10	DCIE	
O=C(Nc1nc[nH]n1)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	217287264	GNRLKHJIZHMWID-LLVKDONJSA-N	300.322	0.727	70	10	DCIE	
COCCn1c(-c2cnns2)nnc1S(=O)(=O)Cl	227582969	YFPVMPWEHHYULT-UHFFFAOYSA-N	309.760	0.371	70	10	DCIE	
CCCN(CC(=O)NC)c1ccc(S(=O)(=O)NC)c(N)c1	159598132	ZFBKHJKXTIQEGR-UHFFFAOYSA-N	314.411	0.139	70	10	DCIE	
O=C(CC[C@@H]1CCCCO1)NCC1CN(S(=O)(=O)F)C1	1974054790	IREWTXUGLYHXPS-NSHDSACASA-N	308.375	0.598	70	10	DCIE	
C[C@@H]1CCO[C@@H]1CC(=O)Nc1nn(C)cc1S(=O)(=O)F	2157309876	KJFSLDZKQOYWER-HTQZYQBOSA-N	305.331	0.832	70	10	DCIE	
Cc1nnc2ccc(-c3nnc(S(=O)(=O)Cl)n3C)cn12	2159836590	OVYYGLQEDJSPPG-UHFFFAOYSA-N	312.742	0.761	70	10	DCIE	
CS(=O)(=O)C[C@H]1CN(c2ncccc2[B-](F)(F)F)CCO1	2172777724	GRGBIHCGGHGPCQ-SECBINFHSA-N	323.125	0.386	70	10	DCIE	
CO[C@@H]1CN(c2ncnc(C)c2[B-](F)(F)F)[C@H]2COC[C@H]12	2172766587	IRZBMBFRLVESPH-LPEHRKFASA-N	302.085	0.689	70	10	DCIE	
COc1nn(C)cc1-c1nnc(S(=O)(=O)Cl)n1C1CC1	2167908784	IZPJLZGWLPRDSM-UHFFFAOYSA-N	317.758	0.950	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CCO[C@@H]3COC[C@@H]32)n1	2192637399	PEYBNRIKNSEHOD-VHSXEESVSA-N	302.085	0.752	70	10	DCIE	
Cc1cc(N2CCN3CCOC[C@H]3C2)ncc1[B-](F)(F)F	2185882164	LYPITBZLVTZKGD-LLVKDONJSA-N	300.113	0.965	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2CCN3CCOC[C@H]3C2)n1	2185879170	BQDPYLVUBPWMNX-LLVKDONJSA-N	300.113	0.965	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)[C@@H]2CCC[C@@H]2F)C1	2055249573	IVZMIVQNCOCGSZ-HRDYMLBCSA-N	303.352	0.580	70	10	DCIE	
Cc1nn([C@@H]2CC(=O)N(C)C2=O)c(C)c1S(=O)(=O)Cl	2096083271	ASRUGXPZOPDXDJ-SSDOTTSWSA-N	305.743	0.357	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NCCC(=O)NC2CC2)c1F	159547957	YFPYDDXAUANPRR-UHFFFAOYSA-N	315.370	0.663	70	10	DCIE	
CCOC(=O)C[C@@H](C)NC(=O)CN(C)Cc1nnc(C)n1C	160162725	VEHXOIRCJUJYND-SNVBAGLBSA-N	311.386	0.013	70	10	DCIE	
CCNc1nnc(CN2CCOC[C@H]2C(=O)NC2CC2)s1	160392146	BXJBDPFNUWZKFB-JTQLQIEISA-N	311.411	0.449	70	10	DCIE	
CC1(O)CCN(S(=O)(=O)c2ccccc2C(N)=S)CC1	160752550	HESBXVNGOLANEG-UHFFFAOYSA-N	314.432	0.856	70	10	DCIE	
N#CC1CN(S(=O)(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)C1	1879798290	ZNBZMDUVLDMDFQ-ZJUUUORDSA-N	308.114	1.000	70	10	DCIE	
Cn1cc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)ccc1=O	1915583364	IFNNLVRIRREYCZ-JTQLQIEISA-N	302.327	0.289	70	10	DCIE	
C[C@H]1CCC[C@H]1CS(=O)(=O)N1CC(CS(=O)(=O)F)C1	2134974781	KBQOCHSXZWYUNS-ONGXEEELSA-N	313.416	0.984	70	10	DCIE	
N#Cc1cccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)c1	2134975236	ODVOYJBDYGOWAV-UHFFFAOYSA-N	304.324	0.230	70	10	DCIE	
CC(C)(C)n1c(CN2CCOCC2)nnc1S(=O)(=O)Cl	2148795757	PSFNJOWWPLBKKN-UHFFFAOYSA-N	322.818	0.793	70	10	DCIE	
Cc1nc(N2CCS(=O)(=O)[C@H](C)[C@@H]2C)ncc1[B-](F)(F)F	2172758180	MMBSYSAGHJUQJL-DTWKUNHWSA-N	322.141	0.851	70	10	DCIE	
Cc1nc(N2CCO[C@]3(CCOC3)C2)ncc1[B-](F)(F)F	2172765665	UXJDSDUIJIKWOQ-GFCCVEGCSA-N	302.085	0.835	70	10	DCIE	
CN(c1ccncc1[B-](F)(F)F)[C@H]1CCN(S(C)(=O)=O)C1	2172783455	FOQSDLNMLCFAOC-VIFPVBQESA-N	322.141	0.606	70	10	DCIE	
CCn1nc(C)cc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287069335	AYBSIMQLHJHFLE-VIFPVBQESA-N	304.347	0.230	70	10	DCIE	
CC12CC(C1)[C@@H](C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)CO2	2362910559	PRXKGDQUHFAIST-OWNCLDLKSA-N	306.359	0.206	70	10	DCIE	
C[C@H](C(=O)NCC1CN(S(=O)(=O)F)C1)[C@H]1CCCCO1	2164434968	FXHNKCGJWSAEPQ-GXSJLCMTSA-N	308.375	0.454	70	10	DCIE	
N#CCN(C[C]=N)C1=C(I)C(=O)N=C=N1	725528007	NXFKADXAMRLIIF-UHFFFAOYSA-N	314.066	0.657	70	10	DCIE	
C#CCNC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1268084409	DYBYGVNDOVRJCF-VIFPVBQESA-N	301.343	0.356	70	10	DCIE	
COCCn1c([C@H]2[C@H]3OCC[C@@H]32)nnc1S(=O)(=O)Cl	2119955468	UUKRCAAGRDZNQL-PRJMDXOYSA-N	307.759	0.354	70	10	DCIE	
CCNc1cc(S(=O)(=O)NC[C@]2(OC)CCOC2)ccn1	161206369	BCWYZXJFNJKQRN-CYBMUJFWSA-N	315.395	0.597	70	10	DCIE	
Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3NC(=O)NC3=O)c2C)o1	161468330	FAQGZIIDRXMTFJ-QMMMGPOBSA-N	317.305	0.823	70	10	DCIE	
COc1ccc(S(N)(=O)=O)cc1CC(=O)NC[C@@H]1C[C@H]1C	160326562	XYIUHIRQJRXHEC-KOLCDFICSA-N	312.391	0.657	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O	160625321	IALJQCCPKBYULQ-NSHDSACASA-N	322.365	0.609	70	10	DCIE	
COC(=O)Cn1ncc(N(C)[C@H]2CCCNC2)c(Cl)c1=O	159418674	HISYKKJRJXYVCE-VIFPVBQESA-N	314.773	0.258	70	10	DCIE	
NC(=S)c1ccc(N2CCOC[C@@H]2C(=O)NC2CC2)cc1	159810120	DMAIHHBLDDSXRS-CYBMUJFWSA-N	305.403	0.805	70	10	DCIE	
CCN(CC)[C@H](C)CNC(=O)c1ccnc2c(C(N)=O)cnn12	159979456	GRYCYFRPHQWDFN-SNVBAGLBSA-N	318.381	0.288	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)C12CCC(CC1)O2	1974394031	BOOIXQGCUAFANL-UHFFFAOYSA-N	306.359	0.493	70	10	DCIE	
CNS(=O)(=O)c1ccc(CNC[C@]2(OC)CCOC2)o1	160081903	ASSYPBKAJFHWPQ-GFCCVEGCSA-N	304.368	0.083	70	10	DCIE	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)F)C2)nn1	2144732028	ASVCGAYBCNLJPH-SECBINFHSA-N	323.371	0.237	70	10	DCIE	
C[C@@H]1OC2(C(=O)N=c3[nH]n(C)cc3S(=O)(=O)F)CC1C2	2193083402	UPHYXAPVBCNESU-XOQGZYLQSA-N	303.315	0.006	70	10	DCIE	
CCCc1n[nH]c(C(=O)NCCOC)c1S(=O)(=O)Cl	115017410	OLMJVVASTXZHGO-UHFFFAOYSA-N	309.775	0.666	70	10	DCIE	
O=C1CN(C(=O)/C=C\c2ccc(Br)cc2)CC(=O)N1	217765899	WSGCBLORMFARLC-UTCJRWHESA-N	323.146	0.947	70	10	DCIE	
C#CC1CCC(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CC1	2363808798	YOWJPBUFHZLWML-MCIGGMRASA-N	302.371	0.831	70	10	DCIE	
O=C(c1nnn2c1CCC2)N1CCC(S(=O)(=O)F)CC1	2363872586	NTJBZJDZZFHQJV-UHFFFAOYSA-N	302.331	0.128	70	10	DCIE	
CO[C@H]1CC[C@@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	724420282	RMFLKDZECPLQBJ-BQBZGAKWSA-N	307.759	0.553	70	10	DCIE	
O=S(=O)(C[C@@H]1CCCNC1)N1CC[C@@]2(O)CCCC[C@H]2C1	160800697	SEPNISWPEAOJRW-ILXRZTDVSA-N	316.467	0.943	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2C[C@H]2OC)c1S(=O)(=O)Cl	2131644059	GOEATPPYFAESNX-RNFRBKRXSA-N	307.759	0.417	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2CC(F)(F)C2)c1	1917262886	UIIMUSIFLJVEHI-UHFFFAOYSA-N	315.294	0.984	70	10	DCIE	
O=S(=O)(Cl)c1ccccc1S(=O)(=O)N1CC(F)C1	1917260927	DIZGLRKUMNJDNO-UHFFFAOYSA-N	313.759	0.957	70	10	DCIE	
CCO[C@@]1(C(=O)N2CCC(S(=O)(=O)F)CC2)CCOC1	1968217443	LLRMIRKPPGHYRH-LBPRGKRZSA-N	309.359	0.472	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1c1nc(Cl)nc(Cl)n1	160287224	GNELPVOAQSZHCH-SSDOTTSWSA-N	320.180	0.908	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3nc([B-](F)(F)F)cs3)C[C@@H]2C1	2052596681	CYUHDXJTFJLXNG-KNVOCYPGSA-N	311.139	0.678	70	10	DCIE	
CCc1nc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cs1	2271497260	GFWZYFDAYUXPTF-SSDOTTSWSA-N	307.372	0.724	70	10	DCIE	
CC(C)c1nc(S(=O)(=O)Cl)cn1CC(=O)NCC#N	215764133	FZSUGOIBKQNEMB-UHFFFAOYSA-N	304.759	0.574	70	10	DCIE	
C#C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCOCC1	1121095004	NLUYGVNFIZAXGS-NSHDSACASA-N	314.338	0.831	70	10	DCIE	
CCC(=O)NCC1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1299107928	ZGDKVNJOWJMRME-UHFFFAOYSA-N	317.342	0.462	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H](O)CC(F)(F)C1	1521207291	UAWUVORDDLJDTR-LURJTMIESA-N	312.269	0.515	70	10	DCIE	
COC[C@@H](C)NCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1493700920	YTEYBXCTBZRSJL-SECBINFHSA-N	321.374	0.369	70	10	DCIE	
CNS(=O)(=O)c1ccc(CNC[C@H](C)N(C)C2CC2)o1	217535539	BKAZBXWPYDBXGX-JTQLQIEISA-N	301.412	0.760	70	10	DCIE	
COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCOC2)ccc1O	160181636	YJFJDBRJKFMHOP-VIFPVBQESA-N	315.347	0.588	70	10	DCIE	
CC1(O)CCN(S(=O)(=O)c2cccc3c2CCNC3)CC1	160775712	BFSHJFFZUCUTBD-UHFFFAOYSA-N	310.419	0.868	70	10	DCIE	
CC(C)(C)Cc1cc(NC(=O)C2CC3(C2)NC(=O)NC3=O)[nH]n1	159712326	FWDMEZHPOQNXBF-UHFFFAOYSA-N	319.365	0.925	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)n1	2172757410	AXSKTNKPWTWGMX-YUMQZZPRSA-N	322.141	0.851	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@@H]1[C@@H]2COC[C@@H]21	2174700917	HTTKWLPQOYRELD-ILWJIGKKSA-N	318.782	0.575	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)[C@H]1CCCC[C@H]1F	1907439505	QHGREWKIULXMLV-SFYZADRCSA-N	307.796	0.755	70	10	DCIE	
O=C1CCC(=O)N1CCOc1ccc(S(=O)(=O)F)cc1	2191430446	JFPCNVXMEGYXFT-UHFFFAOYSA-N	301.295	0.873	70	10	DCIE	
Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2088468557	CZXYQHASYBAMSA-MRVPVSSYSA-N	311.360	0.089	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21	2284142974	RMWANMRMQIVMRJ-YIZRAAEISA-N	312.313	0.683	70	10	DCIE	
CCCOCCc1nnc(S(=O)(=O)Cl)n1CCOC	133331782	ZVNHXVOBBYYFEY-UHFFFAOYSA-N	311.791	0.821	70	10	DCIE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C[C-]2N=C=NO2)C1	725524581	FIDJZZHUBXFDDN-ZDUSSCGKSA-N	311.318	0.649	70	10	DCIE	
CN(CCS(=O)(=O)N(C)C)c1ccc([B-](F)(F)F)cn1	2116150988	YDWHXOPMUNZEJY-UHFFFAOYSA-N	310.130	0.464	70	10	DCIE	
N#Cc1cncc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1456026183	SSJCUQXWKKXHRQ-UHFFFAOYSA-N	308.294	0.870	70	10	DCIE	
CS(=O)(=O)[C@@H]1CCN(c2ncc([B-](F)(F)F)cc2F)C1	2123305651	KYINSNDCXHPZSK-MRVPVSSYSA-N	311.089	0.898	70	10	DCIE	
CCCn1cc(S(=O)(=O)NCC2(CO)CCCC2)c(N)n1	160038363	MCXSUKWRNIDXFJ-UHFFFAOYSA-N	316.427	0.706	70	10	DCIE	
CO[C@@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C1	1974001549	VVQYKZZSBJWCEJ-WDEREUQCSA-N	308.375	0.550	70	10	DCIE	
CC[C@H](CCCN1CC(S(C)(=O)=O)C1)S(=O)(=O)Cl	2037946430	WZIGMZKYJSJHDH-SECBINFHSA-N	317.860	0.843	70	10	DCIE	
CO[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	311393487	DUTZJMNFGHWEQA-ZCFIWIBFSA-N	309.775	0.753	70	10	DCIE	
O=C([C@@H]1CCc2nccn2C1)N1CC(CS(=O)(=O)F)C1	2199683260	WNWVVSJWMRUKCC-SNVBAGLBSA-N	301.343	0.203	70	10	DCIE	
COC[C@]12CN(c3ncc([B-](F)(F)F)cn3)C[C@H]1CCO2	2239825263	TWAOTIXXHZZLJS-BXKDBHETSA-N	302.085	0.773	70	10	DCIE	
O=C(CCOc1ccccc1)NC1CN(S(=O)(=O)F)C1	2284153628	OMJBTQSXRCUWCP-UHFFFAOYSA-N	302.327	0.470	70	10	DCIE	
CS(=O)(=O)c1ccc([C@H]2CC(=O)N2S(=O)(=O)Cl)cc1	117360244	FLPVVYQQVYULJV-SECBINFHSA-N	323.779	0.847	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@@H](C)C(N)=O	305930219	BYHARIHZPOJYCP-SCSAIBSYSA-N	310.719	0.149	70	10	DCIE	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CS(=O)(=O)F	757181286	ZTKIGJKADXCBIC-VIFPVBQESA-N	310.372	0.659	70	10	DCIE	
CCO[C@@H]1CS(=O)(=O)C[C@@H]1C1(S(=O)(=O)Cl)CC1	696656520	SAYSEFMCBKQSQT-JGVFFNPUSA-N	302.801	0.537	70	10	DCIE	
CN[C@H](c1c(Cl)cnn1CCOC)[C@H]1CN(C)CCN1C	161201311	CVKGIJLZIPXMNC-OLZOCXBDSA-N	315.849	0.689	70	10	DCIE	
CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2144732586	HLBQYIZHBCWARO-MNOVXSKESA-N	306.359	0.288	70	10	DCIE	
CS(=O)(=O)c1ccc([S@@](=O)CC(=O)[C@@H]2CCOC2)cc1	159539278	KOVRBMZAWMDNMJ-GIGQVBGESA-N	316.400	0.803	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC(=O)N(C)C1CC1	2182342166	DAYFWBSPGNADKX-UHFFFAOYSA-N	321.786	0.578	70	10	DCIE	
COc1c(OCC(=O)O)cc([N+](=O)[O-])cc1S(=O)(=O)F	2191428799	RSLPIDBVQAFNMI-UHFFFAOYSA-N	309.227	0.725	70	10	DCIE	
O=S(=O)(Cl)c1nnc(-c2cc(O)ncn2)n1C1CC1	2109505835	CMKPJAQPZFFCFM-UHFFFAOYSA-N	301.715	0.703	70	10	DCIE	
O=S(=O)(Nc1ccc(S(=O)(=O)F)nc1)NC1CCC1	2110217100	YLUGBEXQGKYLJJ-UHFFFAOYSA-N	309.344	0.539	70	10	DCIE	
CN(c1ncncc1[B-](F)(F)F)[C@@H]1CC[C@@H](S(C)(=O)=O)C1	2361699370	XRWUKJSAXLLWAE-RKDXNWHRSA-N	322.141	0.933	70	10	DCIE	
COc1ccccc1CC(=O)NC[C@H](O)Cn1ccccc1=O	218437901	IUZIOAHYLWMZTR-AWEZNQCLSA-N	316.357	0.577	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C[C@@H]2C(C)(F)F)[nH]1	2164439459	WPEOJYSNEAMTAX-WDSKDSINSA-N	311.285	0.730	70	10	DCIE	
O=C(CCBr)NCC1CN(S(=O)(=O)F)C1	1960026966	SYVYDDUGCJRAHL-UHFFFAOYSA-N	303.153	0.034	70	10	DCIE	
CC(C)NC/C=C\CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1699312099	WVQMMTHKGPTSQN-ARJAWSKDSA-N	303.359	0.957	70	10	DCIE	
C[C@H]([C@H](Cc1cncc(Br)c1)NN)S(C)(=O)=O	161156934	TZUFICHVWHMCLP-XCBNKYQSSA-N	322.228	0.652	70	10	DCIE	
C[C@H](Oc1cccc(CO)c1)C(=O)N1CCN(CCO)CC1	161449594	LVIJJZDWFGRGEQ-ZDUSSCGKSA-N	308.378	0.083	70	10	DCIE	
CN(C)C(=O)NCCNc1nc2c(cc1C(N)=S)CCC2	160892257	FUNWANXUJXTLJJ-UHFFFAOYSA-N	307.423	0.888	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccc(Cl)c(O)c1	1974058604	GMYCBKONYRSAEY-UHFFFAOYSA-N	322.745	0.922	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2CCO[C@H]2C)c1S(=O)(=O)Cl	157052558	QXOKFCVVWBTXRQ-POYBYMJQSA-N	321.786	0.807	70	10	DCIE	
O=C1NCC[C@H]1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl	691638317	JRKHHFBWEQYRON-MRVPVSSYSA-N	320.710	0.790	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1CCO[C@@H](CF)C1	2172082317	ZVCQXAVZMSPOGT-QMMMGPOBSA-N	324.761	0.763	70	10	DCIE	
CC1(C)C[C@H](S(C)(=O)=O)CN1c1ncncc1[B-](F)(F)F	2179891840	AUCWKNOMOWZQHG-QMMMGPOBSA-N	322.141	0.933	70	10	DCIE	
CCOCCOCCOCCOCCS(=O)(=O)Cl	2060901613	LBXUNPGWSCMMMV-UHFFFAOYSA-N	304.792	0.641	70	10	DCIE	
C[C@@H]1O[C@@]2(C(=O)N[C@@H]3CCN(S(=O)(=O)F)C3)CC[C@H]1C2	2287073208	SBSHSKDFOWUKGZ-GUDRVLHUSA-N	306.359	0.349	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cc(F)ccc1F	2287067524	HFKLJVQRRAKRBQ-MRVPVSSYSA-N	308.281	0.983	70	10	DCIE	
C[C@H]1CCC[C@@H](CS(=O)(=O)N2CC(S(=O)(=O)F)C2)O1	2338871777	QCJYCXRWZANQSS-IUCAKERBSA-N	315.388	0.257	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@]2(C)CCCO2)c1S(=O)(=O)Cl	128897228	YZQKUOXYDUGPCP-NSHDSACASA-N	321.786	0.945	70	10	DCIE	
CCCCOCCCNC(=O)C[C@@H]1CS(=O)(=O)CCN1	160316611	UTLNIWLPDTZJBJ-GFCCVEGCSA-N	306.428	0.086	70	10	DCIE	
CCN(C)S(=O)(=O)N(C)CC1CCN(C[C@@H](C)O)CC1	161471226	AVDPGATYZQJGBV-GFCCVEGCSA-N	307.460	0.208	70	10	DCIE	
O=C(NC[C@H](O)Cn1ccccc1=O)c1cc(C2CC2)on1	218431571	FOFJZOPIVLXBNX-NSHDSACASA-N	303.318	0.505	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)NN2CCCC2)c1	686787798	WVWYYOSSCBVRHK-UHFFFAOYSA-N	308.356	0.634	70	10	DCIE	
C[C@@H](NCCF)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1282191115	GFMHILXIGABPIB-HTQZYQBOSA-N	309.338	0.739	70	10	DCIE	
CC(C)[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCF	1319944356	OQODUTLTBCGEHU-NSHDSACASA-N	323.365	0.986	70	10	DCIE	
NC(=O)NC(=O)Cn1cc(S(=O)(=O)Cl)nc1C1CCC1	1922213992	IOABSDWMCBXXRM-UHFFFAOYSA-N	320.758	0.273	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CCCC2(F)F)[nH]1	1923178694	TVJCXABGTHDISY-LURJTMIESA-N	311.285	0.874	70	10	DCIE	
O=C([C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12)N1CCN(S(=O)(=O)F)CC1	1974014323	HOIJHRHKPHIKHG-WTPMCQDGSA-N	302.371	0.637	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)C1CC2(CSC2)C1	1974395184	WYXUVIZYDREDAH-UHFFFAOYSA-N	322.427	0.925	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1cccc(O)c1	1974401608	DOQCHZJNGNCIEB-UHFFFAOYSA-N	302.327	0.801	70	10	DCIE	
C[C@H]1[C@@H](C)N(CCCS(=O)(=O)Cl)CCS1(=O)=O	2003945949	ADBJVHCIILTKGJ-BDAKNGLRSA-N	303.833	0.453	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)C[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21	2054286343	ZNORUPAMBXFECY-ILWJIGKKSA-N	315.844	0.168	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C2CC2)C2COC2)c1S(=O)(=O)Cl	2161398490	AKRZELDUMSMNNU-UHFFFAOYSA-N	319.770	0.649	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)CC2COCCOC2)n1	2188042268	ZBVFWAQSTBUCMD-UHFFFAOYSA-N	304.101	0.939	70	10	DCIE	
CCCc1[nH]nc(C(=O)NC[C@H]2CCO2)c1S(=O)(=O)Cl	2189563038	MCKGCBURNLVRHM-SSDOTTSWSA-N	321.786	0.808	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CC(F)(F)C12CCC2	2284150007	HPKYLPGIHZSUMU-QMMMGPOBSA-N	312.313	0.827	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1coc(C(F)F)n1	2287066971	ZMDNQZBCEOQCLS-RXMQYKEDSA-N	313.257	0.631	70	10	DCIE	
O=C(Cc1cccc(F)c1)N[C@@H]1CCN(S(=O)(=O)F)C1	2287073495	VTPQJCKNJWGMJS-LLVKDONJSA-N	304.318	0.773	70	10	DCIE	
O=[N+]([O-])c1cccc(S(=O)(=O)CCS(=O)(=O)Cl)c1	112084039	LNHFNTOUZBJFLS-UHFFFAOYSA-N	313.740	0.937	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1CC(=O)NCC#N	215847674	QHEXTVZVPGZUBN-UHFFFAOYSA-N	304.759	0.403	70	10	DCIE	
C#C[C@@H](C)N(C)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1963993213	MQRIEJCPASFUAC-SECBINFHSA-N	305.352	0.987	70	10	DCIE	
N#CC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOCC1	1472339176	VQEIRGNYCCPXJL-UHFFFAOYSA-N	315.326	0.723	70	10	DCIE	
CCN(CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(C)=O	1758526094	PMYMMXLAANSCDI-UHFFFAOYSA-N	319.358	0.661	70	10	DCIE	
NCCCNC(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2	160176257	NFCKNTVVHAUZAS-NRFANRHFSA-N	312.391	0.421	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@@H](C)c2nncn2C)cc1N	159613499	HBNBWMXOYCQSNP-QMMMGPOBSA-N	310.383	0.479	70	10	DCIE	
CN(C)CCn1ncc(NCc2cn[nH]c2N)c(Cl)c1=O	159768725	SKUNPDVKMPHBHN-UHFFFAOYSA-N	311.777	0.376	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2CCCOC2)c1S(=O)(=O)Cl	115803330	TXVOCABBTAKSAW-SSDOTTSWSA-N	321.786	0.808	70	10	DCIE	
CN(C(=O)c1cc(S(=O)(=O)Cl)cn1C)C1(C)COC1	2143199995	YIUKBFGLQTZNKT-UHFFFAOYSA-N	306.771	0.814	70	10	DCIE	
O=C([C@H]1C(F)(F)C12CCC2)N1CCN(S(=O)(=O)F)CC1	1974015188	QNNWOINDFMRYDY-MRVPVSSYSA-N	312.313	0.780	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1[C@@H]2CCOC[C@H]21	1974394482	JQBKAYQDBGDGDN-GMTAPVOTSA-N	306.359	0.064	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1C(=O)c1cc(Cl)nc(Cl)c1	159507695	NFBANSFYENTXDN-QMMMGPOBSA-N	318.160	0.975	70	10	DCIE	
COC(=O)Cn1nnnc1SCc1nc(C)cc(Cl)n1	159703868	USGAGFPNQLQYDU-UHFFFAOYSA-N	314.758	0.890	70	10	DCIE	
CCNC(=O)[C@H]1CNCCN1c1nnc(C(F)(F)F)s1	160377253	WMABHKMRPXNRFF-ZCFIWIBFSA-N	309.317	0.471	70	10	DCIE	
CN(C)C(=O)NCCNS(=O)(=O)c1ccc(N)cc1Cl	160698672	KKWGVJVYHDCYCE-UHFFFAOYSA-N	320.802	0.472	70	10	DCIE	
Cc1cccc(N)c1S(=O)(=O)NCCNC(=O)N(C)C	160700145	YGSPEWVUMUGCBP-UHFFFAOYSA-N	300.384	0.127	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N(C)CCS(=O)(=O)N(C)C)n1	2172757592	DEVRBSDPNUCPQC-UHFFFAOYSA-N	324.157	0.772	70	10	DCIE	
COc1cc(C(=O)N2CC(CCS(=O)(=O)F)C2)nn1C	2199697406	KMPKYSQCHSIGSZ-UHFFFAOYSA-N	305.331	0.190	70	10	DCIE	
COCC1(NC(=O)c2cc(S(=O)(=O)Cl)cn2C)COC1	2189273202	SWRPXWZPQPEAMC-UHFFFAOYSA-N	322.770	0.098	70	10	DCIE	
Cc1cc(C(=O)N2CCC(S(=O)(=O)F)CC2)cc(O)n1	2236097438	RIMRVXSJFDWFBH-UHFFFAOYSA-N	302.327	1.000	70	10	DCIE	
O=C(COc1ccccc1F)NC1CN(S(=O)(=O)F)C1	2284149573	DLIIDCFUXNZCBB-UHFFFAOYSA-N	306.290	0.219	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1C(F)(F)C12CCC2	2287066369	WEGSZNJAPNFGGE-HTQZYQBOSA-N	312.313	0.827	70	10	DCIE	
CC1(C)OCCC[C@H]1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287065728	PWNSHNNVVUVVGM-UWVGGRQHSA-N	308.375	0.596	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H](C)COC)c1S(=O)(=O)Cl	115017118	IEWSUMPQDJZMIY-ZCFIWIBFSA-N	309.775	0.664	70	10	DCIE	
CCC[C@@H](CN)Nc1cnn(CC(=O)OC)c(=O)c1Cl	159595386	UGGOZMMIVLFWEB-QMMMGPOBSA-N	302.762	0.609	70	10	DCIE	
CCS(=O)(=O)NCC(=O)NCc1nc2c(C)cccc2[nH]1	160322280	ITTNTCWAGCJSGI-UHFFFAOYSA-N	310.379	0.427	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)C2(Cl)CC2)n1	1923142914	DHQJJIWBJPQPHL-UHFFFAOYSA-N	317.751	0.549	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)CCC(F)(F)F)C1	2065637663	BDNAHHRHVUFVAO-ZCFIWIBFSA-N	313.294	0.642	70	10	DCIE	
Cc1cc(S(=O)(=O)F)cc(C)c1OCC(=O)NC(N)=O	2191430272	BCFOPIVSVGDAIC-UHFFFAOYSA-N	304.299	0.535	70	10	DCIE	
CC1(C)[C@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1(F)F	2271496640	ZMWOYODGWBQHFM-RQJHMYQMSA-N	300.302	0.683	70	10	DCIE	
O=C(CCOCC(F)(F)F)N[C@@H]1CCN(S(=O)(=O)F)C1	2287074770	JLRVNWFCIULJIL-SSDOTTSWSA-N	322.280	0.360	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1CCOC[C@H](F)C1	2336664502	BBCYJSXETDNHCL-SSDOTTSWSA-N	310.734	0.753	70	10	DCIE	
Cc1ccc(C(=O)CCNC(=O)N2CCN(CCN)CC2)cc1	217281763	LIDZMOQUYRPGDP-UHFFFAOYSA-N	318.421	0.854	70	10	DCIE	
CCOC(=O)NCCNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	217286311	MIVGQEBVMHMGKJ-SNVBAGLBSA-N	314.386	0.431	70	10	DCIE	
Cc1nc(N(C)[C@H]2CCS(=O)(=O)C2)ncc1[B-](F)(F)F	2116131360	WVTXUZPZCJGRDB-QMMMGPOBSA-N	308.114	0.463	70	10	DCIE	
COc1ccc(CNC(=O)CNC(=O)c2cccnc2)cn1	161058982	SJTHQRFIJFEQPX-UHFFFAOYSA-N	300.318	0.531	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1[C@@H]([C@H](N)CC)C(F)(F)F	159398487	PVQPDQRVTJTFSY-VWYCJHECSA-N	311.348	0.882	70	10	DCIE	
CC(=O)N1CCC[C@@H]1C(=O)N1CCC(S(=O)(=O)F)CC1	1968216862	FIFCZAZBYZTJFB-LLVKDONJSA-N	306.359	0.288	70	10	DCIE	
COc1nc(N2CCN(CCF)CC2)ncc1[B-](F)(F)F	2172762043	DTJKCFULUFBEIU-UHFFFAOYSA-N	307.080	0.631	70	10	DCIE	
CC(C)(C)OC(=O)N1CC([C@@H]2CC(=O)N2S(=O)(=O)Cl)C1	2242258953	PXFYUWWPHYQKHX-QMMMGPOBSA-N	324.786	0.938	70	10	DCIE	
O=c1[nH]c(=O)n(C[C@@H]2CCCCO2)cc1S(=O)(=O)Cl	112727599	WYPWFZXQKLATOQ-ZETCQYMHSA-N	308.743	0.033	70	10	DCIE	
N#CCNC(=O)COc1ccc(S(=O)(=O)Cl)c(F)c1F	216071821	GKXRJNIZEARKHG-UHFFFAOYSA-N	324.692	0.911	70	10	DCIE	
CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl	215643881	MYGFSVYYZIIWKB-UHFFFAOYSA-N	322.726	0.989	70	10	DCIE	
C[C@H]1CN(c2ncc([B-](F)(F)F)cn2)C[C@H](C)S1(=O)=O	2116144927	LTXOEWZIYHYKGB-YUMQZZPRSA-N	308.114	0.543	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N[C@H](C)c2nncn2C)c1F	159512343	MMNGHZCUSLQIMN-MRVPVSSYSA-N	313.358	0.884	70	10	DCIE	
CC(F)(F)[C@@H]1C[C@H]1CS(=O)(=O)N1CC(S(=O)(=O)F)C1	2134971692	RWAOPOWOIVDIIP-POYBYMJQSA-N	321.342	0.591	70	10	DCIE	
O=S1(=O)CC[C@H](COCc2cccc([B-](F)(F)F)c2)N1	2136004205	MAASWGGABVXJMJ-LLVKDONJSA-N	308.110	0.949	70	10	DCIE	
Cc1ncnc(N(C)C[C@@H]2CCS(=O)(=O)C2)c1[B-](F)(F)F	2172767624	WOGLTIUTSVOJBG-VIFPVBQESA-N	322.141	0.710	70	10	DCIE	
C[C@@H]1O[C@@]2(C(=O)N3CCN(S(=O)(=O)F)CC3)CC[C@H]1C2	2199144182	PRPCVTSORQBGMX-NHCYSSNCSA-N	306.359	0.303	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)[C@@H]2CC2(F)F)CC1	2049738412	HKWVJPWOGZGADJ-SSDOTTSWSA-N	307.315	0.488	70	10	DCIE	
CCCc1nc(C(=O)N2CC(CCS(=O)(=O)F)C2)n[nH]1	2199698037	NEGIAUYUMFLEPK-UHFFFAOYSA-N	304.347	0.519	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2[C@@H]3CCO[C@@H]32)c1S(=O)(=O)Cl	2355544940	VMJHEDPREVUZKL-ZKWXMUAHSA-N	319.770	0.410	70	10	DCIE	
COC[C@@H](C)CNC(=O)c1cc(S(=O)(=O)Cl)cn1C	115016559	RIHZFMHLCBUXAD-QMMMGPOBSA-N	308.787	0.965	70	10	DCIE	
O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)N1CCNCC1	159452850	BBAMCBMGVBHLCZ-QFIPXVFZSA-N	324.402	0.387	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1Cc1ccc(C(N)=S)cc1	159814815	RLESQELSGPJWPS-CYBMUJFWSA-N	307.419	0.658	70	10	DCIE	
CCNc1snnc1CN1CCOC[C@@H]1C(=O)NC1CC1	160391418	IPJMRULSVKQIOH-LLVKDONJSA-N	311.411	0.449	70	10	DCIE	
C[C@H](CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1ccncc1	160483283	LTOITSZHTPJBTB-DGCLKSJQSA-N	311.407	0.725	70	10	DCIE	
CC(C)NC(=O)[C@H](C)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215913179	UBRYUIXEBMSOAT-LURJTMIESA-N	324.746	0.804	70	10	DCIE	
Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)Cc2ccco2)no1	217283020	KQXYEZXJRTYISK-AWEZNQCLSA-N	307.306	0.624	70	10	DCIE	
CSC[C@@](C)(O)CNC(=O)CN(C)C(=O)c1ccco1	217671240	UVYVBGFBOLGYTC-ZDUSSCGKSA-N	300.380	0.582	70	10	DCIE	
CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(C1CCCC1)C2	218299857	AWPVIMXDTYLQTC-AWEZNQCLSA-N	313.423	0.719	70	10	DCIE	
O=C(O)c1ccc(O[C@@H]2CCNC2=O)c(S(=O)(=O)Cl)c1	691638562	SWKBZUKVWDXEGA-MRVPVSSYSA-N	319.722	0.580	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)CC[C@@H]2CCOC2)n1	1923156500	LSXYOMLKSVZMQR-MRVPVSSYSA-N	305.331	0.834	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)CCc2cn[nH]c2)n1	1923159225	YEVFJOHJAUASRZ-UHFFFAOYSA-N	301.303	0.373	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)C1Cc2ccccc2C1	1925033415	MPRFWHDHQVCVLJ-UHFFFAOYSA-N	323.823	0.642	70	10	DCIE	
Cc1cc(C(=O)NCC2CN(S(=O)(=O)F)C2)ccc1O	1974060493	UDLBFQKQTAUMBA-UHFFFAOYSA-N	302.327	0.577	70	10	DCIE	
Cc1[nH]nc(C(=O)NCP(C)(C)=O)c1S(=O)(=O)Cl	2076536717	XUXFDNWIPAPQSW-UHFFFAOYSA-N	313.703	0.956	70	10	DCIE	
N#Cc1ccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)s1	2088469187	KJOXWLWIUZCQTR-QMMMGPOBSA-N	324.380	0.682	70	10	DCIE	
C[C@@H]1C[C@@H]1CS(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	2108443358	HIHUMWNSASYTOS-RNFRBKRXSA-N	311.360	0.476	70	10	DCIE	
CSCC[C@H](O)C(=O)Nc1ccc(S(=O)(=O)F)nc1	2125476592	PRBRILFJEQPLLW-QMMMGPOBSA-N	308.356	0.792	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1Cc1nncn1C	2125952878	BWZIFFJYORBOPZ-UHFFFAOYSA-N	305.747	0.134	70	10	DCIE	
COCCn1c([C@@H]2[C@@H]3CCOC[C@@H]32)nnc1S(=O)(=O)Cl	2150055780	VACDMRUGLYLOSP-HRDYMLBCSA-N	321.786	0.602	70	10	DCIE	
Cc1nc(Cl)ncc1C(=O)N1CCN(S(=O)(=O)F)CC1	2169446532	LEJMNMCZPYSXPL-UHFFFAOYSA-N	322.749	0.411	70	10	DCIE	
COc1nc(OC[C@@H]2COCCCO2)ncc1[B-](F)(F)F	2172631696	FIUMLUZLXUXTGQ-QMMMGPOBSA-N	307.057	0.724	70	10	DCIE	
Cc1ncnc(N(CCS(C)(=O)=O)C2CC2)c1[B-](F)(F)F	2172762565	JZYFFSMJDKYDKS-UHFFFAOYSA-N	322.141	0.853	70	10	DCIE	
N#CCc1ccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)cc1	2199692838	LSQIOZGDRPJIAI-UHFFFAOYSA-N	318.351	0.425	70	10	DCIE	
O=C(CC(F)(F)C(F)F)N[C@H]1CCN(S(=O)(=O)F)C1	2271504161	ZVURVTNWATXNFP-YFKPBYRVSA-N	310.244	0.682	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1c(F)cccc1F	2287066561	CAYNJMLFBVBSRC-ZETCQYMHSA-N	308.281	0.983	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccnc(F)c1F	2287071622	UOGMMTJNZSKZGP-ZCFIWIBFSA-N	309.269	0.378	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@]12CCC[C@@H](C1)OC2	2287078557	POKUWQWTNCXSLQ-NHCYSSNCSA-N	306.359	0.350	70	10	DCIE	
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1CC(CCS(=O)(=O)F)C1	2357628443	YFFDBRKRHWWSOH-LVEVGFFFSA-N	303.355	0.558	70	10	DCIE	
CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)F)[C@H]2COC[C@@H]12	1954655469	HLECCPUBUJXXML-YIZRAAEISA-N	310.347	0.425	70	10	DCIE	
Cn1cc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)nn1	302703071	WFQBQOZYTUFYAE-UHFFFAOYSA-N	300.727	0.995	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CCN1CCN(C)C1=O	690449016	VZYRVTJKZBQDIX-UHFFFAOYSA-N	320.802	0.740	70	10	DCIE	
CCN(C)C[C@@H](O)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1649476723	VBDDOLKREVKIES-SECBINFHSA-N	321.374	0.058	70	10	DCIE	
CN[C@@H](c1c(Cl)cnn1CCOC)[C@@H]1CN2CCN1CC2	161363167	OWSAGBGRQKEAGO-QWHCGFSZSA-N	313.833	0.443	70	10	DCIE	
Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)[C@@H]1CCO[C@H]1C	160506734	HDCDVJDHWFZRNR-GXFFZTMASA-N	312.391	0.892	70	10	DCIE	
COC(=O)Cn1ncc(N2CCNCC2(C)C)c(Cl)c1=O	159613410	SDAHLSRPBPFSAA-UHFFFAOYSA-N	314.773	0.258	70	10	DCIE	
CCC(CC)(CN)Nc1cnn(CC(=O)OC)c(=O)c1Cl	159471018	JPFVAYZUSTXFCD-UHFFFAOYSA-N	316.789	0.999	70	10	DCIE	
O=C(COC1CCCC1)NC1CCN(S(=O)(=O)F)CC1	1974401966	IMGNSTWRHMCXNH-UHFFFAOYSA-N	308.375	0.741	70	10	DCIE	
C[C@H](NC[C@@H]1CCCS1(=O)=O)C(=O)NCC(F)(F)F	159835795	MKQVDPOYHHITNI-YUMQZZPRSA-N	302.318	0.220	70	10	DCIE	
O=C(Nc1ccc(S(=O)(=O)F)nc1)[C@@H]1CCS(=O)(=O)C1	2166529755	DNLOQMJDWCTOEY-SSDOTTSWSA-N	322.339	0.113	70	10	DCIE	
Cn1ccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)F)C2)c1	2088472153	NURQNYHVHODWCI-VIFPVBQESA-N	310.372	0.478	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1OC[C@H]2CCC[C@@H]21	2233179752	BMXRBQXUXVXAHX-OUAUKWLOSA-N	306.359	0.064	70	10	DCIE	
Cc1ccnc(O[C@@H]2CCN(S(C)(=O)=O)C2)c1[B-](F)(F)F	2285600127	MXMUZDRSZGDFLM-SECBINFHSA-N	323.125	0.857	70	10	DCIE	
C#CCNC(=O)[C@H](C)n1cc(S(=O)(=O)Cl)nc1CC	215709735	IQIVGUBPJXQFHG-QMMMGPOBSA-N	303.771	0.683	70	10	DCIE	
O=C(N=c1nn[nH]n1C1CC1)c1ccc(S(=O)(=O)F)cc1	1460297659	QULSKMZNSKUGSN-UHFFFAOYSA-N	311.298	0.340	70	10	DCIE	
C[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)c1nnnn1C	1538959245	OYFBKJCJANATQT-SSDOTTSWSA-N	313.314	0.359	70	10	DCIE	
COCCCNC(=O)[C@H](C)n1cc(S(=O)(=O)Cl)nc1C	215735224	PBDBESGFHIMNPD-QMMMGPOBSA-N	323.802	0.833	70	10	DCIE	
CCOCCN1CCN(C(=O)C(=O)Nc2nocc2C)C[C@H]1C	161238172	NIMYNCKCMLCHEC-GFCCVEGCSA-N	324.381	0.491	70	10	DCIE	
C[C@@H](Oc1cccc(CO)c1)C(=O)NCCN1CCOCC1	160793957	XUCBTISXJBVXSR-CYBMUJFWSA-N	308.378	0.395	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)Cc1csc(N)n1	159615965	OQLZLXWKPUBECQ-JTQLQIEISA-N	312.395	0.021	70	10	DCIE	
C[C@H](CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1)N1CCCC1	161458042	UOIMNAFLUWJSGH-SECBINFHSA-N	319.814	0.791	70	10	DCIE	
CC(C)(C)n1c(CCn2cnnn2)nnc1S(=O)(=O)Cl	2146557281	OEXORLROWJDEHD-UHFFFAOYSA-N	319.778	0.190	70	10	DCIE	
CS(=O)(=O)C[C@H]1CCCN(c2ncncc2[B-](F)(F)F)C1	2172773619	DQQQFZKMBBRSTP-VIFPVBQESA-N	322.141	0.792	70	10	DCIE	
O=C(N1CC(CCS(=O)(=O)F)C1)[C@]12COC[C@H]1C2(F)F	2199688881	NDTMHKLSROAVDI-SCZZXKLOSA-N	313.297	0.416	70	10	DCIE	
C[C@H]1CC[C@H](S(C)(=O)=O)CN1CCCS(=O)(=O)Cl	2253682112	ZPQZJBMTHRVVGM-UWVGGRQHSA-N	317.860	0.843	70	10	DCIE	
O=C(NCCN1CC[C@H]2C[C@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2290287246	WQBAWDMHWYAHRG-GZMMTYOYSA-N	317.798	0.766	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CSc2ccccc21	2284153548	NPQNBQGDSNJLJC-SNVBAGLBSA-N	316.379	0.891	70	10	DCIE	
COc1ccc(C(=O)N2CC(CS(=O)(=O)F)C2)c(N)c1	2286954018	CKQVGRYZOLGAEV-UHFFFAOYSA-N	302.327	0.649	70	10	DCIE	
CC(C)n1ncc(N2CCN(C3CNC3)CC2)c(Cl)c1=O	159694189	COYFJRWDQPGZTN-UHFFFAOYSA-N	311.817	0.571	70	10	DCIE	
Cc1cnn(-c2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3)cc2F)c1	159776921	QQQOOXWDOFALKK-YPMHNXCESA-N	304.325	0.981	70	10	DCIE	
O=C(NC[C@H](O)CN1CCCCC1)c1ccc2c(c1)OCO2	160253781	QDEUOEAQLWWPQP-ZDUSSCGKSA-N	306.362	0.992	70	10	DCIE	
Nc1ccc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cn1	160336243	WPGDHUYMONBFFE-BXUZGUMPSA-N	311.407	0.980	70	10	DCIE	
O=C(Cc1cn2ccccc2n1)NC[C@H](O)CN1CCCCC1	160396009	ZTCFBOVCMVAJPH-HNNXBMFYSA-N	316.405	0.840	70	10	DCIE	
Cc1cc(S(N)(=O)=O)ccc1C(=O)N(C)[C@H]1CCO[C@@H]1C	160507085	RGNZWFHVLQEJBR-MFKMUULPSA-N	312.391	0.892	70	10	DCIE	
C[C@H]1OCC[C@@H]1N(C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1	160515388	OZGNGRJZSYHNBO-XCBNKYQSSA-N	306.771	0.826	70	10	DCIE	
CC[C@H](C)[C@@H](N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1	160719912	LMEUBJDZQGDCEW-SMDDNHRTSA-N	323.397	0.054	70	10	DCIE	
CO[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCOC1	1123821030	XTUVNEBJVIJWSZ-KCJUWKMLSA-N	320.342	0.454	70	10	DCIE	
CC(C)[C@@H](COCCS(C)(=O)=O)CS(=O)(=O)Cl	2015766280	MODGRQJBYRKWKN-VIFPVBQESA-N	306.833	0.888	70	10	DCIE	
O=S(=O)(F)N1CCN(S(=O)(=O)CCCC2CC2)CC1	2107413785	ZUTGBBJHOBQARL-UHFFFAOYSA-N	314.404	0.338	70	10	DCIE	
CC1CC(CS(=O)(=O)NCC2CN(S(=O)(=O)F)C2)C1	2108156732	HPUATQKIKPENKN-UHFFFAOYSA-N	314.404	0.098	70	10	DCIE	
Cc1ccnc(N2C[C@@H]3OCCN(C)[C@H]3C2)c1[B-](F)(F)F	2172783296	CNDNNOLQXXLIBZ-QWRGUYRKSA-N	300.113	0.964	70	10	DCIE	
CCc1ncncc1C(=O)N1CC(CCS(=O)(=O)F)C1	2199684949	WTKKFJXWEXGAKN-UHFFFAOYSA-N	301.343	0.800	70	10	DCIE	
O=C([C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@@H]21)N1CC(CCS(=O)(=O)F)C1	2199690540	YFFDBRKRHWWSOH-OOCWMUITSA-N	303.355	0.558	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CC[C@@H]1C(F)(F)F	2268795895	JLQNOLWFQGYDDF-BQBZGAKWSA-N	304.265	0.590	70	10	DCIE	
CC1(OCC(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CCCC1	2287077344	WAMYWVZHTUCRAP-SNVBAGLBSA-N	308.375	0.741	70	10	DCIE	
CS(=O)(=O)c1nnc(NC(=O)c2ccn(C3CCCC3)n2)[nH]1	159684647	CSADOWZPKCKUDZ-UHFFFAOYSA-N	324.366	0.772	70	10	DCIE	
O=C(NC1(CO)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1	160228807	URRHMTWYIGAXIG-UHFFFAOYSA-N	324.402	0.726	70	10	DCIE	
COc1cc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)ccc1F	160358372	YMCNNLYULLBVLG-JTQLQIEISA-N	316.354	0.550	70	10	DCIE	
CNCc1ccc(S(=O)(=O)NCC2(CO)CCCC2)o1	160456643	XQUHGNXUFQDNDM-UHFFFAOYSA-N	302.396	0.830	70	10	DCIE	
C[C@H](NC(=O)N1CCN(CCO)CC1)Oc1ccc(O)cc1	217277757	HPVKFHPEPVBQCB-GFCCVEGCSA-N	309.366	0.437	70	10	DCIE	
O=C1c2ccccc2S(=O)(=O)N1CCS(=O)(=O)Cl	310593522	UNZRAMXLFVYILW-UHFFFAOYSA-N	309.752	0.400	70	10	DCIE	
CCN1CC[C@H](n2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)C1=O	696628325	QAHYZJIEYKSUFW-LURJTMIESA-N	322.730	0.512	70	10	DCIE	
CO[C@]1(CO)CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1521709068	UMZRNEMOJICGQR-GFCCVEGCSA-N	320.342	0.286	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2C[C@H]2CF)c1S(=O)(=O)Cl	1875813378	KCVAQHWFVNRVSS-NKWVEPMBSA-N	309.750	0.981	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1COC[C@@H]1F	1875999657	JZVIXFLZDAYYTA-JGVFFNPUSA-N	310.734	0.419	70	10	DCIE	
C[C@@H](CCCN(C)C1CS(=O)(=O)C1)S(=O)(=O)Cl	1949706741	KRIHXOKXJGCUGS-QMMMGPOBSA-N	303.833	0.453	70	10	DCIE	
Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H](S(=O)(=O)F)C1	1968228341	XBJGVZRKNPRUGT-SNVBAGLBSA-N	303.359	0.941	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1cncc(Cl)n1	1974403094	UUFKHAKPUOHBCI-UHFFFAOYSA-N	322.749	0.539	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CCS(C)(=O)=O	2062001769	CCMXENRVHQPLLV-UHFFFAOYSA-N	316.788	0.002	70	10	DCIE	
C[C@@H]1CCC[C@H]1S(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2118899139	WXOPXCUOOMXTOH-PSASIEDQSA-N	314.404	0.241	70	10	DCIE	
CCn1c([C@@H]2CCc3nn[nH]c3C2)nnc1S(=O)(=O)Cl	2144593414	QERYHWQISUCRHO-ZCFIWIBFSA-N	316.774	0.616	70	10	DCIE	
CC(C)(C)n1c(CCn2ccnn2)nnc1S(=O)(=O)Cl	2146559565	DSAKHEQFGGOAFN-UHFFFAOYSA-N	318.790	0.795	70	10	DCIE	
CCS(=O)(=O)[C@@H]1CCN(c2ncc([B-](F)(F)F)c(C)n2)C1	2179893031	KCRNLMAWSXOMBR-SECBINFHSA-N	322.141	0.853	70	10	DCIE	
C[C@@H]1CCC[C@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)O1	2235160343	LAIGUHCFWSMHBL-HTQZYQBOSA-N	322.770	0.834	70	10	DCIE	
CCc1cc(C(=O)NC2CN(S(=O)(=O)F)C2)cc(Cl)n1	2284152368	ZPKMSTHPOQNAHN-UHFFFAOYSA-N	321.761	0.926	70	10	DCIE	
Cc1ccc(N)c(C(=O)N2CCN(S(=O)(=O)F)CC2)c1	2286930619	DYEMIOSIDAYYGL-UHFFFAOYSA-N	301.343	0.549	70	10	DCIE	
COc1ccccc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287072839	OEOQYULKSXQHKY-VIFPVBQESA-N	302.327	0.714	70	10	DCIE	
CS(=O)(=O)[C@H]1C[C@@H](COc2ncc([B-](F)(F)F)cn2)C1	2352802124	NRXVXVAGPKWKEP-OTSSQURYSA-N	309.098	0.733	70	10	DCIE	
Cc1nc2n(n1)C[C@H](NC(=O)c1cnc3c(c1)ncn3C)CC2	160336276	FLWSQIFCTYJTLD-LLVKDONJSA-N	311.349	0.613	70	10	DCIE	
CC1(O)CCN(C(=O)Cn2nnc(-c3cccs3)n2)CC1	160500334	CYRQAMJUGNJGIY-UHFFFAOYSA-N	307.379	0.775	70	10	DCIE	
O=C(NCCNc1nc(Cl)nc(-n2ccnc2)n1)C1CC1	160902582	SLAVTMZBFHLDDT-UHFFFAOYSA-N	307.745	0.649	70	10	DCIE	
O=C(NCCCCN1CCOCC1)NOCc1cccnc1	161081888	KLVVMCYJITZRGC-UHFFFAOYSA-N	308.382	0.925	70	10	DCIE	
CC1(C)CC[C@H](CC(CO)(CO)[C@@H]2CCS(=O)(=O)C2)O1	161364210	JHSBINSHWUWOPC-VXGBXAGGSA-N	306.424	0.740	70	10	DCIE	
Cc1ccc(O[C@H](C)C(=O)NC(N)=O)c(S(=O)(=O)Cl)c1	215634858	FGBHWYIAWUEWTG-SSDOTTSWSA-N	320.754	0.885	70	10	DCIE	
CCNC(=O)NC(=O)[C@@H](C)n1cc(S(=O)(=O)Cl)nc1C	215803256	AUFIIXFNHCZXOQ-ZCFIWIBFSA-N	322.774	0.526	70	10	DCIE	
COCCn1cc(S(=O)(=O)Cl)cc1C(=O)NC1CC1	229718230	STDIMQPKSKCFRP-UHFFFAOYSA-N	306.771	0.954	70	10	DCIE	
CC(C)N1N=C=N[C-]1CN1C#CN[C-]1I	725527027	JDAUGCGPQLGKKA-UHFFFAOYSA-N	315.118	0.994	70	10	DCIE	
O=C(C[C@@H]1COC(=O)C1)Nc1ncc(S(=O)(=O)F)s1	1287483188	QANWSQNKEKXSLD-YFKPBYRVSA-N	308.312	0.693	70	10	DCIE	
O=S(=O)(OCC(F)(F)N[C@H]1CNC[C@H]1F)C(F)(F)F	1923834892	GBKCVIXKMOKYJM-UHNVWZDZSA-N	316.223	0.345	70	10	DCIE	
O=C([C@@H]1CCC(F)(F)C1)N1CCN(S(=O)(=O)F)CC1	1974014506	JSVXQYMUMKNTRN-MRVPVSSYSA-N	300.302	0.780	70	10	DCIE	
CCc1ccnc(C(=O)NCC2CN(S(=O)(=O)F)C2)c1	1974054980	LFZXNBCHIHGJDP-UHFFFAOYSA-N	301.343	0.520	70	10	DCIE	
CC(C)(F)[C@](C)(F)C(=O)NCC1CN(S(=O)(=O)F)C1	1974055991	YZUOZYVGKSCBNV-SNVBAGLBSA-N	302.318	0.725	70	10	DCIE	
C[C@H]1OCC[C@@H]1CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2196505740	VPRYKACDXCRDLT-SFYZADRCSA-N	322.770	0.692	70	10	DCIE	
C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)Oc1ccc(O)cc1	217277840	HLUJVNIWQHBUNJ-VHSXEESVSA-N	314.363	0.603	70	10	DCIE	
CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1348817109	JGLGZMAQNHNZOK-JVXZTZIISA-N	302.327	0.970	70	10	DCIE	
C[C@@H](CNCCF)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1715361589	KUHUZITYJSMRKV-QMMMGPOBSA-N	309.338	0.693	70	10	DCIE	
CCOc1cc(N)cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1	159649754	RWFYXRHNSGWRMM-LBPRGKRZSA-N	312.391	0.927	70	10	DCIE	
CNC(=O)[C@@H](NC(=O)COc1cc(C)n(C)n1)c1ccccc1	159768465	SKPDNKGRNQIIOZ-HNNXBMFYSA-N	316.361	0.711	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1C(=O)C1(C(N)=S)CCCC1	159773714	PTGWASBJJOMJLH-JTQLQIEISA-N	313.423	0.196	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)CCOC2CC2)c1S(=O)(=O)Cl	1914537691	BYTANDWCDWKHHX-UHFFFAOYSA-N	321.786	0.897	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1974055737	VLGJZKGDOAEGAD-YBXAARCKSA-N	302.371	0.541	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1F	159454360	OSOCOMVMRLMKJU-VIFPVBQESA-N	322.383	0.182	70	10	DCIE	
CO[C@H](Cn1cc(S(=O)(=O)Cl)c(O)nc1=O)C1CC1	400286868	ORYLTVNKSDDWOI-SSDOTTSWSA-N	308.743	0.301	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@]2(Cl)CC2(C)C)[nH]1	2229589244	OXILFSBICNXPPW-SNVBAGLBSA-N	309.750	0.846	70	10	DCIE	
CN1C[C@H](CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1=O	1352887640	RAQQGPRQHOCZAM-MRVPVSSYSA-N	317.342	0.271	70	10	DCIE	
O=C(c1n[nH]c(C2CC2)n1)N1CCC(S(=O)(=O)F)CC1	2144734298	ZEWBABBZQAMIDS-UHFFFAOYSA-N	302.331	0.586	70	10	DCIE	
CO[C@H]1COC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)c(C)o1	2177286583	ZSVCGHSFKWVVLV-APPZFPTMSA-N	323.754	0.659	70	10	DCIE	
COc1nc(N(C)Cc2ccn(C)n2)ncc1[B-](F)(F)F	2172769542	ZBXQLBANQNZRRB-UHFFFAOYSA-N	300.073	0.910	70	10	DCIE	
C[C@]12C[C@](Cn3cc(S(=O)(=O)Cl)c(O)nc3=O)(CO1)C2	2202720913	AEZKODFBHLOHNL-PHIMTYICSA-N	320.754	0.446	70	10	DCIE	
C[C@H]1CCC[C@@H](S(=O)(=O)NC2CN(S(=O)(=O)F)C2)C1	2268805787	NQXVARYZDPPHKB-WCBMZHEXSA-N	314.404	0.383	70	10	DCIE	
C[C@]1(C(=O)NC2CN(S(=O)(=O)F)C2)CCCC1(F)F	2268807642	PYSKMLROFZCCOQ-SECBINFHSA-N	300.302	0.827	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@@H]2CC[C@H](C1)O2	2287066512	BUKUPFARRQQQFO-XWLWVQCSSA-N	306.359	0.349	70	10	DCIE	
NCCc1nc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)cs1	160237660	DCQFDDIOEHYADD-NXEZZACHSA-N	308.407	0.385	70	10	DCIE	
Nc1c(F)cccc1S(=O)(=O)NCCNC(=O)C1CC1	160644253	NFCLABAQLUGRGZ-UHFFFAOYSA-N	301.343	0.212	70	10	DCIE	
Cc1csc(=O)n1CC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	160690659	OWMIHONYMOPTHR-QWRGUYRKSA-N	309.391	0.345	70	10	DCIE	
CCNc1ncc(S(=O)(=O)N2CCC(C)(O)CC2)cn1	160897740	LZOVQGNGNWKWKM-UHFFFAOYSA-N	300.384	0.444	70	10	DCIE	
C[C@@](O)(CNC(=O)C(=O)Nc1cccnc1)Cc1ccco1	217283013	FSTQNHJVNJHQFU-HNNXBMFYSA-N	303.318	0.723	70	10	DCIE	
O=S(=O)(F)c1ccccc1NS(=O)(=O)c1cccnn1	712746908	OCBZUTYOWPVIPV-UHFFFAOYSA-N	317.323	0.936	70	10	DCIE	
O=S(=O)(Cl)C[C@H]1CCOC2(CCS(=O)(=O)CC2)C1	958678302	NZKCWQILMSGOPC-VIFPVBQESA-N	316.828	0.929	70	10	DCIE	
COCCCN[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1265827854	ZMAHRFAILLVICU-SECBINFHSA-N	321.374	0.417	70	10	DCIE	
COC(=O)/C=C\[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1648137452	PQMKWHSCNDSVGK-AVALRIAPSA-N	304.299	0.520	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cnn(C2CC2)c1	1974055284	OXVNFEXNZMPTTE-UHFFFAOYSA-N	302.331	0.094	70	10	DCIE	
O=S1(=O)CC[C@H]2CN(c3nc([B-](F)(F)F)cs3)C[C@@H]21	2052596868	FDTWIIHMXPWRAC-BQBZGAKWSA-N	311.139	0.821	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]32)c1S(=O)(=O)Cl	2120028986	KNXJQJAGRHXPLP-BBVRLYRLSA-N	305.743	0.163	70	10	DCIE	
C[C@@H]1CC(C(=O)NCC2CN(S(=O)(=O)F)C2)C[C@@H](C)O1	2164439177	UIACCSRMEMRXIT-RKDXNWHRSA-N	308.375	0.452	70	10	DCIE	
C[C@]1(C(F)(F)F)C[C@H]1C(=O)NC1CN(S(=O)(=O)F)C1	2268805783	NPWTWSYFMFMJHB-XPUUQOCRSA-N	304.265	0.590	70	10	DCIE	
C[C@@H]1COCCN1CCOCCOCCS(=O)(=O)Cl	2269918594	JCZGCWLHZUYQLW-LLVKDONJSA-N	315.819	0.309	70	10	DCIE	
O=C(Cc1cccc(F)c1F)NC1CN(S(=O)(=O)F)C1	2284153245	JCDDYNZZFWTWDI-UHFFFAOYSA-N	308.281	0.522	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC[C@@H]1C(F)(F)F	2287077193	CSICFCRKYQDCPJ-PRJMDXOYSA-N	318.292	0.980	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1[C@H](C)C(=O)N(C)C	306019425	TXOBHQRIDDOPQE-ZCFIWIBFSA-N	324.746	0.676	70	10	DCIE	
CCn1c([C@H]2CCn3ncnc3C2)nnc1S(=O)(=O)Cl	2165275853	QIPNQNSUJAVOCR-ZETCQYMHSA-N	316.774	0.547	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N[C@@]23COC[C@@H]2C3)c1	718104108	YZZXEXQIYJJCDQ-KWQFWETISA-N	321.351	0.412	70	10	DCIE	
COC[C@H](C)NC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1716452719	AKJXSJAFOCZVDU-IUCAKERBSA-N	321.374	0.416	70	10	DCIE	
C[C@@H](CO)S(=O)(=O)NCCCN(C)Cc1ccccc1	217724973	UDSFEHIGOQXGPJ-ZDUSSCGKSA-N	300.424	0.809	70	10	DCIE	
Cc1cc(C[C@@H](C)NC(=O)NCC2(CO)CCOCC2)n[nH]1	159764380	KERNHHXIRWHGLQ-LLVKDONJSA-N	310.398	0.737	70	10	DCIE	
CCOC(=O)c1nnn(CC(=O)NCCOC)c1C(F)F	159584112	ABLAUSYRMFQTTL-UHFFFAOYSA-N	306.269	0.155	70	10	DCIE	
C[C@H]1C[C@@H]1CNS(=O)(=O)N1CCC(CNC2CC2)CC1	160796199	SGGYBOQIABKAIJ-WCQYABFASA-N	301.456	0.941	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)o2)C1	2035285257	QNDZOPCDXBFPEU-ZCFIWIBFSA-N	317.747	0.995	70	10	DCIE	
COc1ccc(C)cc1S(=O)(=O)N1CC(S(=O)(=O)F)C1	2199696203	GXHPESCXERYMCL-UHFFFAOYSA-N	323.367	0.676	70	10	DCIE	
O=C(c1cnn(C2CC2)c1)N1CC(CCS(=O)(=O)F)C1	2199687612	IECCQOMRKWOUNC-UHFFFAOYSA-N	301.343	0.979	70	10	DCIE	
CCCCc1nc(S(=O)(=O)Cl)cn1Cc1nn[nH]n1	2229289296	DPBXPYYQDOSNAS-UHFFFAOYSA-N	304.763	0.715	70	10	DCIE	
CCOc1ccccc1C(=O)NC1CN(S(=O)(=O)F)C1	2284154207	WPZAXHFHZBSJQI-UHFFFAOYSA-N	302.327	0.714	70	10	DCIE	
CC(C)n1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)n1	2287077114	KTWDOTZJIVZKII-VIFPVBQESA-N	304.347	0.482	70	10	DCIE	
COCCN[C@@H](C)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1507124350	UGYCLPHFOLIGBZ-VIFPVBQESA-N	321.374	0.369	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@H]2CO[C@@H](C)C2)c1S(=O)(=O)Cl	2115707694	RVCOTFAZCKYLHX-CAHLUQPWSA-N	308.743	0.980	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2[C@H]3COC[C@H]32)c1S(=O)(=O)Cl	2118014921	OFSRJWZYIBKCAF-KVSKUHBBSA-N	305.743	0.020	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(N)c(C)c(F)c1	218139234	JPMSEDSTGBQZPL-UHFFFAOYSA-N	303.359	0.473	70	10	DCIE	
C[C@@H](CNCC1CC1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1699422190	HDABTTXNZNNJRJ-QMMMGPOBSA-N	303.359	0.791	70	10	DCIE	
Cc1ccc([C@@H](O)CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1	161329459	PEQAQOYOVYRTDK-KGLIPLIRSA-N	315.377	0.934	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1c1nc(Cl)nc(OC(C)C)n1	160268140	SPDXMZSKVSIYBE-QMMMGPOBSA-N	315.761	0.263	70	10	DCIE	
Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1	160612887	RWWOYQRAORKAFR-SNVBAGLBSA-N	314.411	0.605	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCO[C@H](CN(C)C)C1	160957122	RSBYGUSAGOPJNN-LLVKDONJSA-N	324.381	0.273	70	10	DCIE	
COCCSCC(=O)Nc1nn(C)cc1S(=O)(=O)F	1923149679	BUXDNDCKAOASKI-UHFFFAOYSA-N	311.360	0.396	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1ccc(F)cn1	1974402243	LLASBFPVIXZIQI-UHFFFAOYSA-N	305.306	0.629	70	10	DCIE	
CCn1c([C@H]2CCc3nn[nH]c3C2)nnc1S(=O)(=O)Cl	2144593413	QERYHWQISUCRHO-LURJTMIESA-N	316.774	0.616	70	10	DCIE	
O=C(Cc1cn2ccsc2n1)N1CC[C@@H](S(=O)(=O)F)C1	2144732512	GRJWLYFWWOFQQJ-SECBINFHSA-N	317.367	0.839	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CCCOCC2)cc1	166186861	VGAINYDWRJEGQQ-UHFFFAOYSA-N	323.367	0.756	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)C[C@@H]1CCCCS1(=O)=O	694431235	NTFWRUBFSZVOHG-JTQLQIEISA-N	317.860	0.844	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CCS(=O)(=O)C[C@@H]2C)n1	2172766403	GFCDVXZBBZLSCQ-ZETCQYMHSA-N	322.141	0.771	70	10	DCIE	
C[C@H](Cn1cc(S(=O)(=O)Cl)c(O)nc1=O)N1CCCC1	2188625289	YSIQRXMOENLXPO-MRVPVSSYSA-N	321.786	0.361	70	10	DCIE	
CNC(=O)CCOc1ccc(C(=O)O)cc1S(=O)(=O)F	2191423511	HRDYDXAFPNJITP-UHFFFAOYSA-N	305.283	0.558	70	10	DCIE	
CCn1c([C@]23COC[C@H]2C3(F)F)nnc1S(=O)(=O)Cl	2105598526	NGOCILVYLOZHEF-XRGYYRRGSA-N	313.713	0.759	70	10	DCIE	
COc1cccc(C(=O)NC2CN(S(=O)(=O)F)C2)c1O	2284152366	ZOTQPOBCQXYHQN-UHFFFAOYSA-N	304.299	0.029	70	10	DCIE	
NCC[C@@H]1CCCN(c2cnn(CCO)c(=O)c2Cl)C1	159515706	NJZWOQWCEVRJGN-JTQLQIEISA-N	300.790	0.454	70	10	DCIE	
C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](O)CN1CCCCC1	160350811	VOBCPVBJDHMEOX-STQMWFEESA-N	313.442	0.500	70	10	DCIE	
CCS(=O)(=O)NCCCN1CCOC[C@@H]1c1nc(C)no1	161228749	BJXOFZSKLKQTCS-LLVKDONJSA-N	318.399	0.081	70	10	DCIE	
COc1ccc([C@H](O)CNC(=O)C(=O)NC2CC2)cc1OC	217377865	BXLNXMNHRNWZRN-LLVKDONJSA-N	308.334	0.132	70	10	DCIE	
COC[C@@H](NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl)C1CC1	398460752	RRRKTNRZYAVTFU-MRVPVSSYSA-N	321.786	0.800	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CCOCC1CCC1	689449695	SBKPHKMGDBSEMR-UHFFFAOYSA-N	322.770	0.693	70	10	DCIE	
CCN(CCNCCF)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1482950872	AOVBZWGRQUETOB-UHFFFAOYSA-N	309.338	0.694	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1ccnc(F)c1	1974401816	GQXMIWGZWOUUSG-UHFFFAOYSA-N	305.306	0.629	70	10	DCIE	
O=[N+]([O-])c1nn(C[C@@H]2[C@@H]3COC[C@@H]32)cc1S(=O)(=O)Cl	2132391576	AJKADCDGKNYIEM-KVSKUHBBSA-N	307.715	0.611	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1Cc1noc(COC)n1	2169783466	NOCCRGMJFDWWME-UHFFFAOYSA-N	320.758	0.951	70	10	DCIE	
Cc1ncnc(N(C)C[C@@H]2CCCS2(=O)=O)c1[B-](F)(F)F	2172766811	LXVZUIMCRGFKSD-VIFPVBQESA-N	322.141	0.853	70	10	DCIE	
CN(C[C@@H]1C[C@@H]2OCC[C@H]2O1)c1ncc([B-](F)(F)F)cn1	2172773806	GVGUDTAYOSCIBW-AXFHLTTASA-N	302.085	0.914	70	10	DCIE	
O=C(c1cc(F)c(F)c(O)c1F)N1CC(S(=O)(=O)F)C1	2199682535	KYKMCRQHBWAHNY-UHFFFAOYSA-N	313.228	0.933	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@@H]2CSC[C@@H](C2)C1	2284142207	MNRPSXXWQZECRE-ILWJIGKKSA-N	322.427	0.780	70	10	DCIE	
CC(C)c1nnsc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287069458	QMCVPUUDURXMGL-ZETCQYMHSA-N	322.387	0.680	70	10	DCIE	
CS(=O)(=O)N1CCN(C(=O)N/C=C/c2ccccc2)CC1	217655731	FUUQSRRVWHNOPD-BQYQJAHWSA-N	309.391	0.944	70	10	DCIE	
CC(C)(C)OC(=O)N1CCC[C@H](CNCCNC(N)=O)C1	160865039	WUFRINBHVMYYOP-LLVKDONJSA-N	300.403	0.891	70	10	DCIE	
O=C([C@@H]1CCn2ccnc2C1)N1CC[C@H](S(=O)(=O)F)C1	2165275998	QRAJRUOEJUULFE-ZJUUUORDSA-N	301.343	0.346	70	10	DCIE	
O=C(c1noc2c1CCC2)N1CCN(S(=O)(=O)F)CC1	2163660578	WUEZFRWTBPOJEF-UHFFFAOYSA-N	303.315	0.135	70	10	DCIE	
CCN(CCCS(=O)(=O)Cl)[C@@H]1CCS(=O)(=O)C1	387372355	LZEDAVAAKJIQQI-SECBINFHSA-N	303.833	0.454	70	10	DCIE	
Cn1cc(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)nn1	1131346131	XWDFOOMGVTVYOD-UHFFFAOYSA-N	302.262	0.865	70	10	DCIE	
COC[C@H]1CCCN1C(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	696570285	CUSVOFFBNWSQPE-MRVPVSSYSA-N	321.786	0.897	70	10	DCIE	
O=C1N[C@H](C(=O)Nc2ccc(F)c(CS(=O)(=O)F)c2)CO1	1535737847	IMTIUXFKUDIUMD-VIFPVBQESA-N	320.273	0.672	70	10	DCIE	
C=CC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OCC	1466783540	QEUPEDLAHBVSLM-SECBINFHSA-N	318.326	0.911	70	10	DCIE	
Cn1nnc2cccc([C@@H]3CC(=O)N3S(=O)(=O)Cl)c21	2127822629	YALUXTYSMWAPHH-QMMMGPOBSA-N	300.727	0.725	70	10	DCIE	
Cc1coc(S(=O)(=O)Nc2nn(C)cc2S(=O)(=O)F)c1	1923155731	FMRZQZMAFLSQTM-UHFFFAOYSA-N	323.327	0.781	70	10	DCIE	
Cc1cc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)c(C)nn1	1968234844	GGOCAKDGKSHCPJ-JTQLQIEISA-N	301.343	0.997	70	10	DCIE	
O=S(=O)(Cl)CCCN1CC[C@@H]2CS(=O)(=O)C[C@H]21	1946002553	ZKMBXVKQJFGCDZ-RKDXNWHRSA-N	301.817	0.064	70	10	DCIE	
C[C@@]1(C(F)F)C[C@H]1C(=O)N1CCN(S(=O)(=O)F)CC1	1974015149	QBLUCRNRNLNFQN-OIBJUYFYSA-N	300.302	0.636	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1C[C@@H]2COC[C@@H]21	2143879873	SLCADSDLCKPHJS-FKTZTGRPSA-N	318.782	0.717	70	10	DCIE	
O=C(N1CCC(S(=O)(=O)F)CC1)C12CCN(CC1)CC2	2145150342	VBVCRPDITYFRJL-UHFFFAOYSA-N	304.387	0.763	70	10	DCIE	
COC(=O)Cn1ncc(N[C@H](CN)C(C)C)c(Cl)c1=O	159602666	OQTHJPXOSBVWKQ-MRVPVSSYSA-N	302.762	0.465	70	10	DCIE	
COc1nn(CC2[C@@H]3COC[C@@H]23)c(OC)c1S(=O)(=O)Cl	2188904849	NHDDSXGXNFMLJU-YUMQZZPRSA-N	322.770	0.720	70	10	DCIE	
O=S(=O)(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1CC12CCC2	2271506328	QJQRLOKRNRTIJR-IUCAKERBSA-N	312.388	0.137	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cc(F)ccc1O	2287066729	CNYYWOHLTLEEME-QMMMGPOBSA-N	306.290	0.550	70	10	DCIE	
COC(=O)Cn1ncc(N2C[C@H](C)NC[C@@H]2C)c(Cl)c1=O	159569336	DUUCMRIODDCDIE-IUCAKERBSA-N	314.773	0.256	70	10	DCIE	
CCNCCCn1cc(S(=O)(=O)NC[C@H]2C[C@@H]2C)cn1	160902423	NYDFEPFKZNMXFU-NWDGAFQWSA-N	300.428	0.817	70	10	DCIE	
Cc1nc2ccccc2n1CCC(=O)N1CC[C@@H](CO)[C@@H](O)C1	216861300	GTXQELACYHSYDG-BBRMVZONSA-N	317.389	0.937	70	10	DCIE	
C[C@H](NCCCO)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1717426672	JKIYWOJRTJOUAA-DTWKUNHWSA-N	321.374	0.152	70	10	DCIE	
Cc1c(CN=[N+]=[N-])c(C)c(S(=O)(=O)F)c(C)c1B(O)O	1887551673	XZAMGBCBTSGDFD-UHFFFAOYSA-N	301.108	0.760	70	10	DCIE	
O=C([C@H]1CCCSCC1)N1CCN(S(=O)(=O)F)CC1	2107411591	KMGFHMZNFVPDMB-JTQLQIEISA-N	310.416	0.878	70	10	DCIE	
O=S(=O)(Cl)CCOCCOCCCN1CCOCC1	2119250420	QIFUIZHUSSSRSY-UHFFFAOYSA-N	315.819	0.311	70	10	DCIE	
O=S1(=O)C[C@@H]2CCN(c3ncc(F)cc3[B-](F)(F)F)[C@H]2C1	2188590813	REGJQCUUPHBLBX-XVKPBYJWSA-N	323.100	0.898	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)C[C@@H]2CNCCO2)c1	160322363	JXHIIWWHPAEXGH-SECBINFHSA-N	314.363	0.113	70	10	DCIE	
Cc1nc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c(=O)[nH]c1C	160324436	CRRJFRIDGZVIMX-NSHDSACASA-N	301.350	0.750	70	10	DCIE	
CC(=O)NC1(C(=O)NC[C@@H]2CN(C3CC3)CCO2)CCCCC1	160439687	YJVITGIUOFUQPW-OAHLLOKOSA-N	323.437	0.805	70	10	DCIE	
NC(=S)c1ccc(CC(=O)NCCNC(=O)C2CC2)cc1	160785780	GSRLJAKYJIHVMK-UHFFFAOYSA-N	305.403	0.506	70	10	DCIE	
CN1CC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	163317506	YEAXSXQBERNOLX-VIFPVBQESA-N	322.383	0.327	70	10	DCIE	
CC(C)(CO)NC(=O)NCCCN1C(=O)c2ccccc2C1=O	217306305	FLHSXBIHVKJILP-UHFFFAOYSA-N	319.361	0.743	70	10	DCIE	
COC(=O)C[C@@H]1CCCCN1S(=O)(=O)[C@@H](C)C(=O)OC	218724076	XALOKBPDURXIPM-UWVGGRQHSA-N	307.368	0.295	70	10	DCIE	
COCCCS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2028127361	HUHLONRZYFRVAB-VIFPVBQESA-N	303.377	0.116	70	10	DCIE	
C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)C1	2088469674	PNGPDBXJSUSVBU-NXEZZACHSA-N	314.404	0.337	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@H](COC)OC	2125944017	XPGDYMOLDGHPMA-MRVPVSSYSA-N	312.775	0.618	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CC(C[S@](C)=O)C2)n1	2265932526	QMWMBZIFBKCGHQ-FQEVSTJZSA-N	307.126	0.959	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccnc(Cl)n1	2271485945	RTCOFWVHYPOQNG-LURJTMIESA-N	308.722	0.148	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@]12CCC[C@@H]1CSC2	2287069196	PNXOXLZRCNFAAD-FOGDFJRCSA-N	322.427	0.925	70	10	DCIE	
C#CCONS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1	386545101	RZXPUZNYSMUZAO-UHFFFAOYSA-N	309.752	0.457	70	10	DCIE	
CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)F)C1	1954656114	LYSJXSHNAMMOHX-RKDXNWHRSA-N	312.363	0.815	70	10	DCIE	
C[C@@H]1CCN(S(=O)(=O)F)[C@H](C)[C@H]1NC(=O)C(F)(F)F	1954656224	MTRQBONWIYCIMB-QYNIQEEDSA-N	306.281	0.978	70	10	DCIE	
O=S1(=O)CC[C@@H]2CN(c3ncccc3[B-](F)(F)F)C[C@@H]21	2116146184	UCNGYQMCHZFWJD-SCZZXKLOSA-N	305.110	0.759	70	10	DCIE	
COc1cncc(C(=O)Nc2ncc(S(=O)(=O)F)s2)n1	1438190317	XESTXUFOJWMGLL-UHFFFAOYSA-N	318.311	0.852	70	10	DCIE	
CCNC(=O)COc1ccc(C(=O)O)cc1S(=O)(=O)Cl	215625375	VDHNMIDKNRCKAR-UHFFFAOYSA-N	321.738	0.827	70	10	DCIE	
O=C1CN(c2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)CCN1	1458061853	XCRWKURGDLKFPM-UHFFFAOYSA-N	317.298	0.330	70	10	DCIE	
C#CCCN(C)CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1715534005	SWBXQOWHUGWFKF-UHFFFAOYSA-N	315.370	0.700	70	10	DCIE	
CNC(=O)NC(=O)CN1CCN([C@@H](C)c2cccc(F)c2)CC1	159486456	OIXNLFKCKORTMN-LBPRGKRZSA-N	322.384	0.960	70	10	DCIE	
C[C@@H]1C[C@@H](CN)CN1c1cnn(CCN(C)C)c(=O)c1Cl	159981743	FKWXMLURCZMFIU-MNOVXSKESA-N	313.833	0.632	70	10	DCIE	
CCN1C[C@@H](C(=O)N2CCC[C@H](S(=O)(=O)F)C2)CC1=O	1968226855	HQLARGGDULEZNQ-UWVGGRQHSA-N	306.359	0.145	70	10	DCIE	
CC[C@H](C(=O)NCC1CN(S(=O)(=O)F)C1)C(C)(F)F	1974055791	WFZPPYCKIVHOMS-MRVPVSSYSA-N	302.318	0.930	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@H]2CCOC[C@H]21	2150124182	RRXAFEYBJMHBIW-IQJOONFLSA-N	318.782	0.717	70	10	DCIE	
CCc1cc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)n(CC)n1	2144732399	FKANGDZMRWBEMV-JTQLQIEISA-N	303.359	0.979	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCCN(C)C(C)C)cc1N	159617341	JUPOAZNUDDLEGM-UHFFFAOYSA-N	300.428	0.929	70	10	DCIE	
CO[C@@H]1COC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	2177283703	OMSDUDBLNWHMDW-WCBMZHEXSA-N	322.770	0.096	70	10	DCIE	
CCS(=O)(=O)Cc1nnc(S(=O)(=O)Cl)n1C1CC1	2069108212	FNKNPFKLFYHZPU-UHFFFAOYSA-N	313.788	0.475	70	10	DCIE	
CCn1c(-c2cn(C3CC3)nn2)nnc1S(=O)(=O)Cl	2097596558	DAXYCGJHGSCBBZ-UHFFFAOYSA-N	302.747	0.819	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1noc2c1CCC2	2287070616	FZCHBKYKSYEFTK-ZETCQYMHSA-N	303.315	0.182	70	10	DCIE	
C[C@H](C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCCCO1	2287063084	MRWXOWXLYIVSFR-HBNTYKKESA-N	308.375	0.596	70	10	DCIE	
COCCOCCOCCn1cnc(S(=O)(=O)Cl)c1	126781645	ZAFLJCCWPOMGFW-UHFFFAOYSA-N	312.775	0.490	70	10	DCIE	
Cc1ccc(OCNC(=O)NCCN2CCNCC2)c(C)c1	217276911	QCKJZNIRXRYENS-UHFFFAOYSA-N	306.410	0.844	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CC(C)(C)CO2)[nH]1	2166299228	GRJSFYHDRMTXLR-ZETCQYMHSA-N	305.331	0.254	70	10	DCIE	
CN(C)C(=O)CS(=O)(=O)Cc1ccc(S(=O)(=O)F)cc1	857222153	FLSXFJRDTMWQOG-UHFFFAOYSA-N	323.367	0.348	70	10	DCIE	
CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC(S(=O)(=O)F)C1	1897482403	VPOJOSISVPUZEY-UHFFFAOYSA-N	324.374	0.800	70	10	DCIE	
COCCOCCN(Cc1ccccc1)C(=O)[C@H]1CNC(=O)C1	160221899	GGWXHBFAULCVLS-OAHLLOKOSA-N	320.389	0.814	70	10	DCIE	
Cc1cnn(Cc2cc(C(=O)N(C)CC(=O)NC(C)C)no2)c1	160278442	CDGMMENFXIVLHM-UHFFFAOYSA-N	319.365	0.824	70	10	DCIE	
CNC(=O)c1cccc(CCC(=O)N(C)C[C@H](C)C(=O)NC)c1	160418233	MOYZOIFOOOZKQP-LBPRGKRZSA-N	319.405	0.819	70	10	DCIE	
C[C@H]1OCC[C@H]1N(C)C(=O)c1cc(F)cc(S(N)(=O)=O)c1	160505461	ICGISHVADVAMNZ-PRHODGIISA-N	316.354	0.723	70	10	DCIE	
CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(N)cc(C)c1F	159486292	REVVHELLWTYNKW-SNVBAGLBSA-N	315.370	0.615	70	10	DCIE	
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](S(=O)(=O)F)C1	1885428310	KHYFOTZKANOPAK-VIFPVBQESA-N	324.374	0.801	70	10	DCIE	
CN1CCC[C@@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)C1	1974401403	BFZQURBYMBYQAZ-SNVBAGLBSA-N	307.391	0.123	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@]23COC[C@@H]2C3)c1S(=O)(=O)Cl	718100561	RAUDHQGPLVUTBB-WKEGUHRASA-N	305.743	0.164	70	10	DCIE	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)F)c1O[C@@H](C)C(N)=O	2191435712	ZXVILPXWLXANFL-LURJTMIESA-N	306.271	0.814	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)CC(F)(F)F)C1	2079009411	RNAXAOGAUIUCTK-UHFFFAOYSA-N	313.294	0.500	70	10	DCIE	
CCN(C)CCn1nc(OC)c(S(=O)(=O)Cl)c1OC	2093405753	QTNWNQZHYUUGAB-UHFFFAOYSA-N	311.791	0.780	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@]12CCC[C@H]1CSC2	2268806344	UCFGWJSRRPSFDL-GZMMTYOYSA-N	308.400	0.534	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)C[C@H]2CCCCO2)C1	2338748805	CSBHCEWEHJXVIJ-SNVBAGLBSA-N	315.388	0.116	70	10	DCIE	
CCN(C(=O)NC=C1CCOCC1)[C@@H]1CCS(=O)(=O)C1	218740414	XRDHCRFGBRAUDC-GFCCVEGCSA-N	302.396	0.899	70	10	DCIE	
NC(=O)[C@@H]1CC[C@H](C(=O)Nc2ncc(S(=O)(=O)F)s2)C1	1132038765	KKOYMSKLAJIILV-RITPCOANSA-N	321.355	0.641	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cn1)C1CCS(=O)(=O)CC1	2116149862	IWVWTQSAOUNUPH-UHFFFAOYSA-N	308.114	0.544	70	10	DCIE	
COCCNC(=O)[C@@H]1COc2ccc(S(=O)(=O)Cl)cc21	115785411	JBNKENDSVPVEGL-SNVBAGLBSA-N	319.766	0.853	70	10	DCIE	
COc1cc(C)ncc1C(=O)N1CC[C@@H](S(=O)(=O)F)C1	1927201719	DUUNUTJDKJQYMC-SECBINFHSA-N	302.327	0.912	70	10	DCIE	
CN[C@@H](c1c(OC)cnn1CCN(C)C)[C@@H]1CSCCO1	161331184	NEIQCUNRJMFFRU-QWHCGFSZSA-N	314.455	0.846	70	10	DCIE	
CCCn1cc(S(=O)(=O)NC[C@H](C)N2CCCC2)c(N)n1	160756064	CUNROELTJVRGRQ-NSHDSACASA-N	315.443	0.638	70	10	DCIE	
Cn1cc(CCNC(=O)c2cc(S(C)(=O)=O)cs2)cn1	160879055	ZOQUPVMUXRPMDX-UHFFFAOYSA-N	313.404	0.858	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1c1ccc(C(N)=S)nc1	159813626	OWFFRHBJMIZWCJ-GFCCVEGCSA-N	308.407	0.446	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cc(Cl)ns1	1974055777	WCWIJBLLTFLUGL-UHFFFAOYSA-N	313.763	0.672	70	10	DCIE	
Cc1nn(CCCO)c(C)c1S(=O)(=O)NC[C@H]1C[C@@H]1C	160758533	UKEOBHFTVXWEBZ-JOYOIKCWSA-N	301.412	0.817	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1C[C@H]2COC[C@H]2C1	718179646	SMSSBQSTKCYBCF-DTORHVGOSA-N	318.782	0.671	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2CC(N3CCOCC3)C2)n1	2172766757	LFBRUSGHLZOALK-UHFFFAOYSA-N	300.113	0.965	70	10	DCIE	
Cc1nc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)ncc1[B-](F)(F)F	2172765607	UGUCBEVOTPOBET-DTORHVGOSA-N	320.125	0.320	70	10	DCIE	
CN(C[C@@H]1CCCCS1(=O)=O)c1ncncc1[B-](F)(F)F	2172771633	CKBZIWRRKFBTIY-VIFPVBQESA-N	322.141	0.935	70	10	DCIE	
CC[C@@H](C)N1C(=O)C[C@H](N[C@@]2(C)CCS(=O)(=O)C2)C1=O	218517734	IUORRRCYDNSICP-NRUUGDAUSA-N	302.396	0.079	70	10	DCIE	
COCCNC(=O)[C@@H](C)n1cc(S(=O)(=O)Cl)nc1C	215844897	AKCVLBPGLDSYQH-SSDOTTSWSA-N	309.775	0.443	70	10	DCIE	
C[C@@H](CN1CCOCC1)Cn1cnc(S(=O)(=O)Cl)c1	720686106	UQYSETKQRWTBOV-JTQLQIEISA-N	307.803	0.779	70	10	DCIE	
O=[S@](CCn1cnnn1)Cc1ccc(S(=O)(=O)F)cc1	887371045	KRZUOXGVKULMFD-LJQANCHMSA-N	318.355	0.280	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ncncc1Cl	163717638	CPNRGQZXXCPMBS-UHFFFAOYSA-N	305.164	0.472	70	10	DCIE	
O=S1(=O)C[C@H]2CCN(c3ncncc3[B-](F)(F)F)[C@@H]2C1	2116139491	AAFWNWGYKGRYDT-VXNVDRBHSA-N	306.098	0.154	70	10	DCIE	
NC(=O)CC1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1177388763	BMZJWXLSJDFDGM-UHFFFAOYSA-N	303.315	0.057	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1c(N)cccc1Cl	218120423	IZEQOSKPQPBHDN-UHFFFAOYSA-N	305.787	0.679	70	10	DCIE	
CCC(=O)N(CC)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1704304343	ITDXVZVLKOOKHE-UHFFFAOYSA-N	319.358	0.661	70	10	DCIE	
CCC(=O)N[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1495081455	DZNGOBBTSGUNQQ-SSDOTTSWSA-N	305.331	0.317	70	10	DCIE	
C#CCCN[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1731453042	CAAFAKWLSUMDRP-MGCOHNPYSA-N	313.354	0.547	70	10	DCIE	
NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)c2ccc3c(c2)CCC3)O1	161489226	HLSKYAYCRICCKY-UONOGXRCSA-N	316.357	0.507	70	10	DCIE	
CN(C)S(=O)(=O)c1ccc(NCCNC(=O)C2CC2)cc1	160810667	XJCVYPBMRKMUPF-UHFFFAOYSA-N	311.407	0.875	70	10	DCIE	
CC(C)NC(=O)[C@H]1COCCN1C(=O)[C@H](C(N)=S)C(C)C	159785390	XBKSSEPXCUJRKF-MNOVXSKESA-N	315.439	0.297	70	10	DCIE	
Cc1cc(OCC(=O)N2CCC(S(=O)(=O)F)CC2)no1	1968218103	RIBQJXVLAZKDMX-UHFFFAOYSA-N	306.315	0.652	70	10	DCIE	
O=C(N1CCC[C@H](S(=O)(=O)F)C1)C12CCN(CC1)CC2	2145150675	YCYUCIGQUYYNSR-NSHDSACASA-N	304.387	0.763	70	10	DCIE	
Cc1ccc(C(=O)NC2CCN(S(=O)(=O)F)CC2)nn1	1974395071	USYHGAZJVIANNG-UHFFFAOYSA-N	302.331	0.194	70	10	DCIE	
CS(=O)(=O)c1cc2c(cc1CS(=O)(=O)Cl)OCO2	258842352	SJKPRZGTRFUOPD-UHFFFAOYSA-N	312.752	0.887	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1	159942612	DZYZRDLFHOLETK-UHFFFAOYSA-N	321.786	0.221	70	10	DCIE	
CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(CC)CCCO	160467113	MYAYJYKSHJWNLI-LBPRGKRZSA-N	306.428	0.422	70	10	DCIE	
COc1nn(CC(=O)NC2CC2)c(OC)c1S(=O)(=O)Cl	2149828055	WJXSRZJHELWLPJ-UHFFFAOYSA-N	323.758	0.106	70	10	DCIE	
O=S1(=O)[C@H]2CC[C@H]1CN(c1ncc([B-](F)(F)F)cn1)CC2	2172773553	CSDUEWJAGOKLPO-UWVGGRQHSA-N	320.125	0.687	70	10	DCIE	
Cc1ncnc(N2CCN(C3COC3)CC2)c1[B-](F)(F)F	2172758213	MUGLJMRADXGLIB-UHFFFAOYSA-N	301.101	0.360	70	10	DCIE	
Cc1ccc(O[C@@H](C)C(=O)NC(N)=O)c(S(=O)(=O)F)c1	2191435696	ZRLXWZOWJOFKEB-ZETCQYMHSA-N	304.299	0.615	70	10	DCIE	
COCCNC(=O)COc1ccc(C)cc1S(=O)(=O)F	2191435609	YLAKUUGVSHXCNU-UHFFFAOYSA-N	305.327	0.795	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@H]1CCCN(C)C1=O	2097920759	OQASAFBECBLROR-SECBINFHSA-N	305.787	0.987	70	10	DCIE	
Cc1csnc1C(=O)NC1CCN(S(=O)(=O)F)CC1	2112725575	XWHBNVMVLUZMRM-UHFFFAOYSA-N	307.372	0.860	70	10	DCIE	
Cc1cccc(OCC(=O)NC2CN(S(=O)(=O)F)C2)c1	2284152326	WLYDYQOBJLTAFB-UHFFFAOYSA-N	302.327	0.389	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cc(Cl)ccc1O	2268800466	ZEQIQODMYOVYEY-UHFFFAOYSA-N	308.718	0.674	70	10	DCIE	
Cc1nn(C)c(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1Cl	2287070175	OMZDGIQWJIWKJM-SSDOTTSWSA-N	324.765	0.400	70	10	DCIE	
CONC(=O)CNC(=O)c1ccc(S(=O)(=O)F)cc1Cl	1439794315	FYHZHNGIIHVVBS-UHFFFAOYSA-N	324.717	0.406	70	10	DCIE	
C[C@]12C[C@H](C1)[C@@H](C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)CO2	2362913011	PRXKGDQUHFAIST-SVDPJWKOSA-N	306.359	0.206	70	10	DCIE	
C#C[C@H]1CC[C@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CC1	2363897519	YOWJPBUFHZLWML-IJLUTSLNSA-N	302.371	0.831	70	10	DCIE	
CO[C@H]1CCCN(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1263936125	UWNYNBFQMHZEID-QMMMGPOBSA-N	305.331	0.429	70	10	DCIE	
CC[C@@](C)(NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C(N)=O	1538432962	WYBPUDHNLPJJHK-CYBMUJFWSA-N	316.354	0.658	70	10	DCIE	
O=C(CCCF)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1703284096	FWNMOBFCEWYAQR-UHFFFAOYSA-N	323.321	0.269	70	10	DCIE	
CCNc1ccc(S(=O)(=O)NC[C@@]2(OC)CCOC2)cn1	161205556	DLRXPOPPTOWXAF-ZDUSSCGKSA-N	315.395	0.597	70	10	DCIE	
O=C(NC1CC1)[C@@H]1COCCN1C(=O)c1ccc(Cl)nn1	159515945	CZMZDZKASKXQFI-JTQLQIEISA-N	310.741	0.250	70	10	DCIE	
Cc1cc(S(=O)(=O)NCCNC(=O)N(C)C)ccc1N	160697596	NFHPASAXYQBAJV-UHFFFAOYSA-N	300.384	0.127	70	10	DCIE	
COc1nc(N(C)C[C@H]2[C@@H]3COC[C@@H]32)ncc1[B-](F)(F)F	2174648572	NLKHJXAXMUBCRB-PSVAKVPMSA-N	302.085	0.868	70	10	DCIE	
CCCCS(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2049917863	JXBULCYWESTHJS-UHFFFAOYSA-N	302.393	0.385	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1nccnc1Cl	2271485499	OGHXMJALBLZEHZ-LURJTMIESA-N	308.722	0.148	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC12CC(F)(F)C2	2287080369	ZJPOAYLHNIMSKP-SFYZADRCSA-N	312.313	0.827	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CC12CC(F)(F)C2	2287080367	ZJPOAYLHNIMSKP-HTQZYQBOSA-N	312.313	0.827	70	10	DCIE	
CC1(C)CO[C@H](CC(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2287076415	SARTUBOKMMLVKD-NXEZZACHSA-N	308.375	0.596	70	10	DCIE	
COc1c(C(=O)NCC2CN(S(=O)(=O)F)C2)csc1C	2287264091	MVBREIYYWVWVID-UHFFFAOYSA-N	322.383	0.941	70	10	DCIE	
CCO[C@H]1C[C@H]1c1nnc(S(=O)(=O)Cl)n1CCOC	689948285	DGYHJTRGRZQQTL-SFYZADRCSA-N	309.775	0.744	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)C(F)(F)C(F)(F)F	2256750013	WPBVFQLQJRWYSW-UHFFFAOYSA-N	300.180	0.199	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1C[C@@H]2CCO[C@@H]2C1	2115459333	KBXRLFGCXUBNFV-OIBJUYFYSA-N	304.755	0.803	70	10	DCIE	
CCN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(C)=O	1529122155	HURQVLNFIQZZEW-UHFFFAOYSA-N	305.331	0.271	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@@H]2CCO[C@H]21	2120030092	UWNNBVSTNSQOLA-FXBDTBDDSA-N	304.755	0.470	70	10	DCIE	
O=C(C[C@@H]1CCS(=O)(=O)C1)N1CC[C@]2(O)CCCC[C@H]2C1	160464447	ALKGJJBAVPFJBB-KCQAQPDRSA-N	315.435	0.965	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H](C(=O)NC)C1	160565431	KVOAPJAXAQMXJT-JTQLQIEISA-N	322.365	0.469	70	10	DCIE	
CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2NCCc3ccccc32)C1	159397885	WLSHGOZWBAERJD-GXTWGEPZSA-N	323.418	0.024	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ccc(Cl)cn2)[nH]1	1923178075	NOJHQULVAFKEFL-UHFFFAOYSA-N	318.717	0.801	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cncc(Cl)n2)[nH]1	1923153245	OZJXZQGUWIPFBK-UHFFFAOYSA-N	319.705	0.196	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2CCO[C@@H]2C)c1S(=O)(=O)Cl	157052274	QXOKFCVVWBTXRQ-HTRCEHHLSA-N	321.786	0.807	70	10	DCIE	
O=C1C[C@@H](COc2ccc(C(=O)O)cc2S(=O)(=O)F)N1	2191426252	NCJBLORSVFYTAH-ZETCQYMHSA-N	303.267	0.310	70	10	DCIE	
CNc1ccccc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287064981	HYLPVPAXZSFTGP-VIFPVBQESA-N	301.343	0.747	70	10	DCIE	
CC[C@]12CO[C@](C(=O)N[C@H]3CCN(S(=O)(=O)F)C3)(C1)C2	2287067646	HZBALPACXSYQFI-ZMLRMANQSA-N	306.359	0.350	70	10	DCIE	
CN(C)CCn1ncc(N2C[C@@H]3CNC[C@H]3C2)c(Cl)c1=O	159724846	HJOIGMPOAPLTAY-QWRGUYRKSA-N	311.817	0.114	70	10	DCIE	
CNCC1CCN(S(=O)(=O)N2C[C@@H](C)N(C)[C@H](C)C2)CC1	159778468	QWUJRHYEVZVYFM-CHWSQXEVSA-N	318.487	0.187	70	10	DCIE	
CN(CCC(N)=S)C(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1	160453826	SRHKEANTWTZDGJ-DOMZBBRYSA-N	313.467	0.748	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1ccc(N)c(F)c1	161025740	SQKSDSZQTSPFSS-UHFFFAOYSA-N	318.370	0.570	70	10	DCIE	
O=C(C1CCC1)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218635284	XFLMUDYCBRIAQX-UHFFFAOYSA-N	313.365	0.506	70	10	DCIE	
COCCn1c(-c2ccc(=O)[nH]c2)nnc1S(=O)(=O)Cl	234672947	CSXIBCNCGSFXAC-UHFFFAOYSA-N	318.742	0.207	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N[C@]23COC[C@@H]2C3)cc1	718103373	XIQNVZZMLOAGTH-GZMMTYOYSA-N	321.351	0.412	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ccc(F)nc2)[nH]1	1923141199	INZLZIQEPNXMNH-UHFFFAOYSA-N	302.262	0.287	70	10	DCIE	
COc1cc(C(=O)N2CC(S(=O)(=O)F)C2)cc(Cl)n1	1972981486	SKQNUUDFKHFMNY-UHFFFAOYSA-N	308.718	0.867	70	10	DCIE	
CS(=O)(=O)[C@@H]1CCN(CCCCS(=O)(=O)Cl)C1	2009682592	NUCXOJMQRYZREH-SECBINFHSA-N	303.833	0.454	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)C[C@H]2CC[C@H](F)C2)C1	2078988146	DDCFTDYBFNDYNR-YUMQZZPRSA-N	303.352	0.438	70	10	DCIE	
Cn1c([C@H]2CCn3ncnc3C2)nnc1S(=O)(=O)Cl	2108980854	ZHXWCKCNGGYYMP-LURJTMIESA-N	302.747	0.064	70	10	DCIE	
COc1ccc(S(=O)(=O)Cl)cc1C(=O)NCC1COC1	2154131644	KMXYOUNAGXROCJ-UHFFFAOYSA-N	319.766	0.999	70	10	DCIE	
CN(C[C@@H]1[C@@H]2COC[C@@H]21)C(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2174658545	GERVRYUMISWHGK-ILWJIGKKSA-N	318.782	0.907	70	10	DCIE	
CCN(C)C(=O)CCn1cc(S(=O)(=O)Cl)nc1COC	2182343833	MCRAYNVZCHFVQK-UHFFFAOYSA-N	323.802	0.825	70	10	DCIE	
O=C([C@@H]1OC[C@H]2CCC[C@@H]21)N1CC(CCS(=O)(=O)F)C1	2233192143	VBQCASAGRWNJPC-GRYCIOLGSA-N	305.371	0.949	70	10	DCIE	
COCCn1c([C@@H]2C[C@@]2(C)COC)nnc1S(=O)(=O)Cl	2284710195	NRSIKPWEFGKYOX-KWQFWETISA-N	323.802	0.992	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cc([N+](=O)[O-])cs1	2287079707	VVXMGWYTINUHLK-ZCFIWIBFSA-N	323.327	0.675	70	10	DCIE	
C[C@H]1CCCCN1CCCNS(=O)(=O)N(C)CCCO	217711995	PHTLLLKVXDGXJL-ZDUSSCGKSA-N	307.460	0.400	70	10	DCIE	
CN(C)CCn1ncc(Cl)c1[C@H](N)[C@@H]1CN2CCN1CC2	161354118	WYXMICRUDUQDAE-QWHCGFSZSA-N	312.849	0.098	70	10	DCIE	
O=C1CC[C@@H]2CN(S(=O)(=O)c3cccc(O)c3)CC[C@H]2N1	160484953	LKXCZBLOPBJOKK-ZWNOBZJWSA-N	310.375	0.681	70	10	DCIE	
Cc1nc(N)sc1C(=O)N1CCOC[C@H]1C(=O)NC(C)C	159685686	RMXVFNXHBRNJHC-VIFPVBQESA-N	312.395	0.399	70	10	DCIE	
O=C(CCOCC(F)F)N1CCC[C@@H](S(=O)(=O)F)C1	1968235122	IOQRMXBFQZFWQE-MRVPVSSYSA-N	303.302	0.949	70	10	DCIE	
CCNc1nnc(C(=O)NCC(C)(C)S(C)(=O)=O)s1	160388626	FYGNVIMETMMVMS-UHFFFAOYSA-N	306.413	0.523	70	10	DCIE	
C[C@H](CN(C)C)NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	163332513	KVHLJXOSWMWBOE-SECBINFHSA-N	324.399	0.573	70	10	DCIE	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CCCS(=O)(=O)Cl	2004031855	MFNULAZRUOCJBN-RKDXNWHRSA-N	305.849	0.699	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCCN(S(=O)(=O)NC2CCC2)C1	2028770764	GBECYOVYARUYNU-SECBINFHSA-N	300.377	0.137	70	10	DCIE	
C[C@@H](CC(=O)NC1CN(S(=O)(=O)F)C1)P(C)(C)=O	2256744104	SAVVYTKMDPYUNX-ZETCQYMHSA-N	300.292	0.402	70	10	DCIE	
O=C(Cc1ccc(Cl)nc1)NC1CN(S(=O)(=O)F)C1	2268806237	SHITYTMWZMEGAT-UHFFFAOYSA-N	307.734	0.292	70	10	DCIE	
C[C@@](O)(Cc1cccc(F)c1)[C@]1(CN)CCS(=O)(=O)C1	159431661	CRQMIXJCVMJHJY-KGLIPLIRSA-N	301.383	0.883	70	10	DCIE	
COCCN(CCOC)S(=O)(=O)c1cc(N)cc(C)c1F	159473032	YUHXWXDIPPXTNE-UHFFFAOYSA-N	320.386	1.000	70	10	DCIE	
C[C@H](NC[C@H]1CCCS1(=O)=O)C(=O)NCC(F)(F)F	159836047	MKQVDPOYHHITNI-JGVFFNPUSA-N	302.318	0.220	70	10	DCIE	
Cc1cccc(OCNC(=O)N2CCN(CCN)CC2)c1C	217291194	VMQVKBVYJJFXJG-UHFFFAOYSA-N	306.410	0.926	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2CCOC2(C)C)c1S(=O)(=O)Cl	394234296	TURJMUIRIIYWIE-ZETCQYMHSA-N	321.786	0.943	70	10	DCIE	
Cn1nnnc1COc1ccc(F)cc1S(=O)(=O)Cl	698604532	WWBZPPGZRMDFRP-UHFFFAOYSA-N	306.706	0.856	70	10	DCIE	
CCS(=O)(=O)CC(=O)Nc1ncc(S(=O)(=O)F)s1	1438188401	GPYVNYRPFXVHDM-UHFFFAOYSA-N	316.357	0.175	70	10	DCIE	
CCCNC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1723560733	FPIZTORWQNLRQI-UHFFFAOYSA-N	303.359	0.935	70	10	DCIE	
Cc1csnc1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923178646	SJMUXJZYENXBMQ-UHFFFAOYSA-N	304.328	0.517	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC[S@@](C)=O	2011259222	YOLLXRTUROAVCG-MRXNPFEDSA-N	300.789	0.336	70	10	DCIE	
Cc1ncc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)F)C2)[nH]1	2088470825	AZKZGVIEWGMCOZ-MRVPVSSYSA-N	311.360	0.171	70	10	DCIE	
Cn1cnc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)c1	2095102911	BYWWGORHXDMDFV-UHFFFAOYSA-N	305.703	0.501	70	10	DCIE	
O=C(NC1COC1)[C@@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1	2165349275	XZBXEGRQSPQACL-NSHDSACASA-N	317.750	0.433	70	10	DCIE	
CN([C@H]1CCN(c2ncc([B-](F)(F)F)cn2)C1)S(C)(=O)=O	2172786053	PCDYUFCKRSGXCY-VIFPVBQESA-N	323.129	0.001	70	10	DCIE	
CC(C)n1cnnc1SCC(=O)N1CC(S(=O)(=O)F)C1	2199691879	FZDDNYNJJWVDGA-UHFFFAOYSA-N	322.387	0.461	70	10	DCIE	
Cc1coc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1	2271504214	ARLRBNLMCJYVBI-MRVPVSSYSA-N	312.344	0.155	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cc2ncccc2s1	2284151950	VVTNAAISOUTMPF-UHFFFAOYSA-N	315.351	0.925	70	10	DCIE	
C[C@H](Oc1ccc(S(=O)(=O)Cl)cc1)C(=O)NC(N)=O	216001750	PKLSXIUKQIQYDI-LURJTMIESA-N	306.727	0.576	70	10	DCIE	
CC(C)C[C@@H](C)OC[C@@H](O)CN[C@@]1(C)CCS(=O)(=O)C1	218520462	WVWXKCPYGKFRFG-RDBSUJKOSA-N	307.456	0.965	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CCN1CCN(C)C1=O	690448964	VIFWLXPAZYFCLV-UHFFFAOYSA-N	306.775	0.486	70	10	DCIE	
O=S(=O)(F)N1CCN(S(=O)(=O)[C@@H]2CCC[C@H]2F)CC1	2118895263	NEBGLJVWLISNNK-RKDXNWHRSA-N	318.367	0.039	70	10	DCIE	
Nc1cccc(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c1Cl	160332260	CBNIUUIIQQQDRA-CYBMUJFWSA-N	308.725	0.346	70	10	DCIE	
Cn1cc(CNC(=O)N2CCNC(=O)CC2)c(C(F)(F)F)n1	160872836	ZPPSNRCCOSCNGU-UHFFFAOYSA-N	319.287	0.470	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)CCC(F)(F)F	1986806707	BUNAHIIOBJJIEM-UHFFFAOYSA-N	303.711	0.427	70	10	DCIE	
COC1(C(F)(F)C(=O)N2CC(S(=O)(=O)F)C2)CCC1	1968215348	DUBNIJRYHSLQOU-UHFFFAOYSA-N	301.286	0.701	70	10	DCIE	
COc1nn([C@@H]2CCCNC2=O)c(OC)c1S(=O)(=O)Cl	2149822586	NIHMZEFHVPNMHM-ZCFIWIBFSA-N	323.758	0.279	70	10	DCIE	
Cn1ccc(C(=O)N2CCC(S(=O)(=O)F)CC2)cc1=O	2144732931	KSDQCKOUPREJFX-UHFFFAOYSA-N	302.327	0.289	70	10	DCIE	
COCCNCc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]2C)o1	160353822	ZHZPJFNEIITEOL-MNOVXSKESA-N	302.396	0.950	70	10	DCIE	
C[C@@H]1C[C@H]1CNC(=O)[C@@H]1Cc2cc(S(N)(=O)=O)ccc2O1	160326147	NJLJFUWAFARIJD-DVYJOKAKSA-N	310.375	0.410	70	10	DCIE	
CCn1cc(C2CCN(CCN3C(=O)CNC3=O)CC2)cn1	160472560	LAZZICURMWXDCT-UHFFFAOYSA-N	305.382	0.634	70	10	DCIE	
COC(=O)[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(C)C	217806730	SAVCDSKUESOWES-GARJFASQSA-N	308.400	0.128	70	10	DCIE	
CCn1nnc(C)c1COC(=O)c1cc(S(=O)(=O)F)c[nH]1	1129165824	NFDAYKFKUOKRLT-UHFFFAOYSA-N	316.314	0.950	70	10	DCIE	
CN(C)C[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1520702526	ZEXYBHFRELORPV-LLVKDONJSA-N	302.331	0.247	70	10	DCIE	
Cn1c([C@@H]2CCc3nc[nH]c3C2)nnc1S(=O)(=O)Cl	2088320727	KDIHMQCLBXRVMT-ZCFIWIBFSA-N	301.759	0.738	70	10	DCIE	
CC(C)(C)n1c(CCn2cnnc2)nnc1S(=O)(=O)Cl	2146556253	HMQPOOLDMLFWIU-UHFFFAOYSA-N	318.790	0.795	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2COCC[C@@H]2C)c1S(=O)(=O)Cl	2152555393	VTBPSSNNCWZHKM-POYBYMJQSA-N	321.786	0.800	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1C[C@H]2CC[C@H]1O2	2168075527	LVRGZQFPEDNLTM-XLPZGREQSA-N	320.754	0.444	70	10	DCIE	
C[C@H]1CCC[C@@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)O1	2235199221	QHIJCWOQFDIYTF-YUMQZZPRSA-N	305.331	0.396	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@]2(C1)CC2(F)F	2284151785	SUKPENWKBAEYNI-XCBNKYQSSA-N	312.313	0.827	70	10	DCIE	
COC(OC)[C@H](C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C	160559164	DNVUVODTZCRXPK-BQVMBELUSA-N	300.399	0.643	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@]2(C)CCOC2)c1S(=O)(=O)Cl	162385429	XBUFXDPMGYVQSV-LLVKDONJSA-N	321.786	0.808	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	163299623	MIHQIFSSTMNUFW-SECBINFHSA-N	323.367	0.802	70	10	DCIE	
O=C1NCC[C@@H]1CCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	395925316	POWPBIPGOJGEIX-ZCFIWIBFSA-N	322.730	0.245	70	10	DCIE	
C[C@@H](CO)CS(=O)(=O)Cc1ccc(S(=O)(=O)F)cc1	857221481	BSGICZMXJVGNMH-VIFPVBQESA-N	310.368	0.888	70	10	DCIE	
CN(C)C(=O)OCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1146319870	LBYFVSKFHHLMGC-UHFFFAOYSA-N	307.303	0.101	70	10	DCIE	
O=C([C@H]1C[C@@H]1Br)N1CCN(S(=O)(=O)F)CC1	1991400691	XSWWSWWBQSDQSH-BQBZGAKWSA-N	315.164	0.128	70	10	DCIE	
C[C@H]1OC2(C)CC1(C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)C2	2287079053	RWKGVOMMOHGYGR-WWAQEKKBSA-N	306.359	0.349	70	10	DCIE	
O=S(=O)(N1CC[C@@H](O)C1)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2332307341	ZIACKHRAGWJTHA-BBBLOLIVSA-N	313.130	0.611	70	10	DCIE	
O=C1C[C@@H](c2ncnc3c2OCCO3)N1S(=O)(=O)Cl	2342712457	NUDHUATUYMHEHV-YFKPBYRVSA-N	305.699	0.005	70	10	DCIE	
CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(OC)nn1	159671785	VQJHELNSSHYFLZ-GFCCVEGCSA-N	306.366	0.958	70	10	DCIE	
CCOc1cc(N)cc(C(=O)N[C@@H](C)CS(C)(=O)=O)c1	159758000	DSPBZRCNCBEGPZ-VIFPVBQESA-N	300.380	0.830	70	10	DCIE	
CNCc1ccc(S(=O)(=O)NC[C@]2(OC)CCOC2)cc1	160675885	RRWWHTLVYVMEGH-CQSZACIVSA-N	314.407	0.490	70	10	DCIE	
C[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)N(C)C	163311771	MZEPHWDCMJQFBQ-SECBINFHSA-N	324.399	0.573	70	10	DCIE	
O=C(c1cnccn1)N(CCN1CCOCC1)C1CCOCC1	217285217	IVIVUWHLLIOHIZ-UHFFFAOYSA-N	320.393	0.430	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2COC[C@H]2C)c1S(=O)(=O)Cl	699820338	HOPDFEZAGQCCGV-SVRRBLITSA-N	321.786	0.664	70	10	DCIE	
COCCn1c([C@@H]2COC[C@@H]2C)nnc1S(=O)(=O)Cl	705143517	HDYKEDHZMXDPPY-JGVFFNPUSA-N	309.775	0.602	70	10	DCIE	
O=C(Nc1ncc(S(=O)(=O)F)s1)c1cn(C2CC2)nn1	1438189160	MQJFLUXWPWGICF-UHFFFAOYSA-N	317.327	0.980	70	10	DCIE	
CC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)F)cc1)C(N)=O	1439683709	RRMFUINDIKLEER-GFCCVEGCSA-N	302.327	0.729	70	10	DCIE	
Cn1nnc(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)n1	1533725677	XUULEIXDCJTEQZ-UHFFFAOYSA-N	303.250	0.260	70	10	DCIE	
CC(C)(C)OC(=O)N1CCO[C@H]2CCN(S(=O)(=O)F)C[C@@H]21	1955897308	CQGCUOMEUZAFQD-UWVGGRQHSA-N	324.374	0.911	70	10	DCIE	
COC[C@H]1C[C@@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2117728690	QVXBSCSVUSZZHG-RQJHMYQMSA-N	307.759	0.410	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1Cc1nnc2cccnn12	2168461598	GDSKOSCCNQSUEM-UHFFFAOYSA-N	312.742	0.605	70	10	DCIE	
Cc1cc(N2CCN(C3COC3)CC2)ncc1[B-](F)(F)F	2172774402	NXNYTNCUFFJBTR-UHFFFAOYSA-N	300.113	0.965	70	10	DCIE	
O=C(Cn1ccc(O)nc1=O)N1CCC[C@H]([B-](F)(F)F)C1	2190464605	MRPPEXHPVUOPMT-QMMMGPOBSA-N	304.057	0.789	70	10	DCIE	
N#CC1(CS(=O)(=O)N2CC(S(=O)(=O)F)C2)CCCCC1	2199683632	CGFYVYRIBKFCMJ-UHFFFAOYSA-N	324.399	0.774	70	10	DCIE	
C[C@]12C[C@](C(=O)NC3CCN(S(=O)(=O)F)CC3)(CO1)C2	2202586421	CVJCJGBVAPZEJR-HAQNSBGRSA-N	306.359	0.350	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cc([N+](=O)[O-])cs1	2287079703	VVXMGWYTINUHLK-LURJTMIESA-N	323.327	0.675	70	10	DCIE	
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1CCC(S(=O)(=O)F)CC1	2353948844	SXXOOBXMPKZMEV-LVEVGFFFSA-N	303.355	0.700	70	10	DCIE	
CN(C[C@H](O)COc1cccc(C(N)=S)c1)[C@@H]1CCOC1	159505891	VQUHXGFLJOZULS-OLZOCXBDSA-N	310.419	0.781	70	10	DCIE	
CCOC(=O)CCS(=O)(=O)NCc1ccc(CN)cc1	159591201	UANLHYYATBAHCO-UHFFFAOYSA-N	300.380	0.518	70	10	DCIE	
NC(=S)c1cc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)ccn1	160305299	RQFKXUPNHAKRBU-NEPJUHHUSA-N	304.419	0.816	70	10	DCIE	
COc1cc(NS(=O)(=O)CCN2CCNCC2)ccc1F	160420612	WCIQXKIFSONNNA-UHFFFAOYSA-N	317.386	0.481	70	10	DCIE	
CS(=O)(=O)CCCCN1CCN(C(=O)[C@@H]2CCCO2)CC1	161173932	UOJFYWMUBZOLCR-ZDUSSCGKSA-N	318.439	0.134	70	10	DCIE	
COCCn1c(-c2ccn(C)n2)nnc1S(=O)(=O)Cl	231929775	UGKZBONHXNHDDC-UHFFFAOYSA-N	305.747	0.253	70	10	DCIE	
CCN1CC[C@@H](n2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)C1=O	696628326	QAHYZJIEYKSUFW-ZCFIWIBFSA-N	322.730	0.512	70	10	DCIE	
O=C(NNC(=O)c1cccnn1)c1cccc(S(=O)(=O)F)c1	1596612787	KJOOOJKKQHAYCP-UHFFFAOYSA-N	324.293	0.210	70	10	DCIE	
O=C(CCc1ccccn1)NCC1CN(S(=O)(=O)F)C1	1974059901	PIUZEDHNDCQHLY-UHFFFAOYSA-N	301.343	0.277	70	10	DCIE	
CCCn1c(CS(=O)(=O)CC)nnc1S(=O)(=O)Cl	2069108584	IPSNOOUZDVMPBG-UHFFFAOYSA-N	315.804	0.550	70	10	DCIE	
CS(=O)(=O)N[C@@H]1CCN(c2ccc([B-](F)(F)F)cn2)C1	2116136000	BSAIBMJEPZYDPE-SECBINFHSA-N	308.114	0.264	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2C[C@@]23CCOC3)c1S(=O)(=O)Cl	2198310650	KLPROWUNXKPGHE-WRWORJQWSA-N	319.770	0.554	70	10	DCIE	
COc1ccc(C(=O)N2CC(CCS(=O)(=O)F)C2)cn1	2199690764	ZPBZERZSXNNCBN-UHFFFAOYSA-N	302.327	0.852	70	10	DCIE	
Cc1nc(C)c(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)s1	2271489509	CMCFTXTVKSSWOT-QMMMGPOBSA-N	307.372	0.778	70	10	DCIE	
C[C@H](C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCCCO1	2287063082	MRWXOWXLYIVSFR-DCAQKATOSA-N	308.375	0.596	70	10	DCIE	
CO[C@@H]1CCC[C@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2287065721	PURATIOJSDLSNX-GARJFASQSA-N	308.375	0.596	70	10	DCIE	
Cc1nccn1[C@@H](C)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287075761	ORWOWIQGPOMJKA-WPRPVWTQSA-N	304.347	0.157	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1CC[C@@H]2C[C@H]12	2332062135	PHCBODQJTOPAFO-PRJMDXOYSA-N	304.755	0.923	70	10	DCIE	
CCC[C@H](O)CNC(=O)c1cccc(S(N)(=O)=O)c1C	159390790	KDFWZJUSIKGVPE-JTQLQIEISA-N	300.380	0.533	70	10	DCIE	
Cc1cc(S(=O)(=O)NCCNC(=O)C2CC2)cc(N)c1C	160652891	KAIXBIUXUAZTNZ-UHFFFAOYSA-N	311.407	0.690	70	10	DCIE	
NCc1ccc(CS(=O)(=O)NCCNC(=O)C2CC2)cc1	160724573	YRNJCUMFMWURBA-UHFFFAOYSA-N	311.407	0.091	70	10	DCIE	
C[C@H]1CN(c2ccccc2S(C)(=O)=O)CCS1(=O)=O	160765455	FCKDFGNHHOXLCA-JTQLQIEISA-N	303.405	0.713	70	10	DCIE	
Cn1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)c(-c2cccs2)n1	160887474	JZXBVYGTWDYWFI-SECBINFHSA-N	318.358	0.684	70	10	DCIE	
CCN[C@H](c1c(OC)cnn1CCN(C)C)C(OC)OC	161140833	IYDGAZMQMSFKGB-GFCCVEGCSA-N	300.403	0.723	70	10	DCIE	
CCN1CCO[C@@H]([C@H](N)c2c(Cl)cnn2CCN(C)C)C1	161212914	WBHGRRUYGASGNS-OLZOCXBDSA-N	315.849	0.819	70	10	DCIE	
C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC1CC1	1690623225	ITRKOCCKXGCQKZ-MRVPVSSYSA-N	303.359	0.791	70	10	DCIE	
Cc1c(CS)c(C)c(B(O)O)c(C)c1OS(=O)(=O)F	1887510887	VMAKXJIXVIQFNT-UHFFFAOYSA-N	308.161	0.315	70	10	DCIE	
O=C([C@@H](O)c1ccccc1)N1CCN(S(=O)(=O)F)CC1	1974001529	VMZNREVCDOMPCW-NSHDSACASA-N	302.327	0.079	70	10	DCIE	
O=C(CCBr)NC1CCN(S(=O)(=O)F)CC1	1980421307	YQDLSXOOSJWAIR-UHFFFAOYSA-N	317.180	0.566	70	10	DCIE	
O=C(c1csc(Cl)n1)N1CCN(S(=O)(=O)F)CC1	2078399782	VLTKMMPEYHPGGJ-UHFFFAOYSA-N	313.763	0.769	70	10	DCIE	
COC(C)(C)CS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2088705108	ADAYLALAFZKJME-SECBINFHSA-N	317.404	0.505	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)CCc2ccccc2)C1	2144731988	AJDRWZUIXNRYIT-LBPRGKRZSA-N	321.395	0.933	70	10	DCIE	
COCCn1cccc1C(=O)N1CC[C@@H](S(=O)(=O)F)C1	2144733273	OGGVKDXMYALNFL-SNVBAGLBSA-N	304.343	0.648	70	10	DCIE	
CN(C)S(=O)(=O)[C@@H]1CCN(c2ccncc2[B-](F)(F)F)C1	2279225373	PCQHUXPZOXIPCY-SECBINFHSA-N	322.141	0.606	70	10	DCIE	
CC1(C)OCCC[C@@H]1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287065729	PWNSHNNVVUVVGM-VHSXEESVSA-N	308.375	0.596	70	10	DCIE	
Cc1n[nH]cc1CN1CCN(S(=O)(=O)c2cccnc2)CC1	159914360	BJMYZJUVUFHCJS-UHFFFAOYSA-N	321.406	0.620	70	10	DCIE	
CO[C@@]1(CNc2ccc(S(N)(=O)=O)c(N)c2)CCOC1	159970926	BOPTVVFQYJBMCJ-GFCCVEGCSA-N	301.368	0.134	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1Cc1nnsc1NCC	160386631	MGIGQQRIGKRDRX-NSHDSACASA-N	313.427	0.697	70	10	DCIE	
O=C(NC1(CO)CC1)c1cccc(S(=O)(=O)NC2CC2)c1	160521996	BKUQFODMZVHUKZ-UHFFFAOYSA-N	310.375	0.382	70	10	DCIE	
O=C(NC[C@H](O)c1cccc(F)c1)N[C@H]1CCc2ncnn2C1	161024725	GXUHUEHWFVMXLF-STQMWFEESA-N	319.340	0.765	70	10	DCIE	
Cc1cc2[nH]c(CN3CCn4nc(CO)cc4C3)cc(=O)n2n1	217452060	MDYGJZGFPTYUOA-UHFFFAOYSA-N	314.349	0.036	70	10	DCIE	
CCN1CCC[C@@H]1CNS(=O)(=O)N1CCCC[C@@H]1CN	217566246	XGXFDCKDFGFNSH-CHWSQXEVSA-N	304.460	0.118	70	10	DCIE	
O=C1CN(C(=O)/C=C\c2c(Cl)nc3sccn23)CC(=O)N1	217759377	WZPISVJSAWUBKC-UPHRSURJSA-N	324.749	0.547	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2COC(C)(C)C2)c1S(=O)(=O)Cl	396540159	NMPRTAZCGCIRKK-ZETCQYMHSA-N	321.786	0.943	70	10	DCIE	
C[S@@](=O)CCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	400540189	KHZQHILJOGIFGT-MRXNPFEDSA-N	301.733	0.097	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CC[C@@H](C)OC2)c1S(=O)(=O)Cl	401390560	NMUDQYFZCQCCSY-HTRCEHHLSA-N	321.786	0.943	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N[C@@]23COC[C@@H]2C3)cc1	718103375	XIQNVZZMLOAGTH-KWQFWETISA-N	321.351	0.412	70	10	DCIE	
Cc1cnc(C(=O)NC2CCN(S(=O)(=O)F)CC2)cn1	1974401637	DUYKHLSEBQBGMY-UHFFFAOYSA-N	302.331	0.194	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1nccnc1Cl	1974403017	SWYIMPRMZXARAK-UHFFFAOYSA-N	322.749	0.539	70	10	DCIE	
COc1nn(CCCN(C)C)c(OC)c1S(=O)(=O)Cl	2093414722	GGVXGZHWRFRNIW-UHFFFAOYSA-N	311.791	0.780	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cnc(Cl)nc1	2108153556	JMKONZQBPLBEFC-UHFFFAOYSA-N	308.722	0.006	70	10	DCIE	
COc1ccc([C@@H]2CC(=O)N2S(=O)(=O)Cl)nc1OC	2119595293	MVMFYXVECYHKAW-ZETCQYMHSA-N	306.727	0.856	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)[C@H]2CCC[C@H]2F)C1	2330637729	MQUOTTPMILVCNZ-AEJSXWLSSA-N	317.379	0.971	70	10	DCIE	
CN(C[C@@H]1CCO1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	2366917331	OQAOJFTZFXDKMM-VIFPVBQESA-N	323.367	0.754	70	10	DCIE	
COC(=O)c1nnn(CC(=O)NCC(F)(F)F)c1C(C)C	159389543	MKXBKBLSPZIYOE-UHFFFAOYSA-N	308.260	0.867	70	10	DCIE	
CCOC(=O)[C@@H]1CNCCN1c1cnn(CC)c(=O)c1Cl	159619071	SPKPWVBWNFLUOI-JTQLQIEISA-N	314.773	0.258	70	10	DCIE	
COC(=O)Cn1ncc(N2CC[C@H]([C@@H](C)N)C2)c(Cl)c1=O	160003848	ONCUYSHAAUKGMT-BDAKNGLRSA-N	314.773	0.243	70	10	DCIE	
Cc1cc(N)c(S(=O)(=O)NCCNC(=O)N(C)C)cc1C	160701296	QWIKQNXLEKADBP-UHFFFAOYSA-N	314.411	0.435	70	10	DCIE	
CCNc1ncccc1S(=O)(=O)NCCNC(=O)C1CC1	160958771	IXSXCVBTBIBLFM-UHFFFAOYSA-N	312.395	0.318	70	10	DCIE	
CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H]1CO)CC2	161460608	CYSLQAZDUQQICO-NWDGAFQWSA-N	307.398	0.883	70	10	DCIE	
Cn1cc([C@@H](NC(=O)CCN2CCOCC2)C2CC(O)C2)cn1	218406624	HWYZAIUNZLSFBA-PXCJXSSVSA-N	322.409	0.071	70	10	DCIE	
CCCc1nnsc1C(=O)NC[C@@H](O)Cn1ccccc1=O	218430271	QCOUQIJEMFDYBG-SNVBAGLBSA-N	322.390	0.443	70	10	DCIE	
COCCn1c([C@H](C)n2cccn2)nnc1S(=O)(=O)Cl	234670803	RXZRALMTROSSCW-QMMMGPOBSA-N	319.774	0.658	70	10	DCIE	
Cc1[nH]nc(C(=O)NCCOC2CC2)c1S(=O)(=O)Cl	715068914	RVCWMVZHIKKNPN-UHFFFAOYSA-N	307.759	0.554	70	10	DCIE	
CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)F)C1	1954656104	LYSJXSHNAMMOHX-BDAKNGLRSA-N	312.363	0.815	70	10	DCIE	
Cc1cc(C)n(CCC(=O)N2CC(CS(=O)(=O)F)C2)n1	1968216022	RCTOGYAOKREWRA-UHFFFAOYSA-N	303.359	0.648	70	10	DCIE	
O=C(CCOCC(F)(F)F)N1CCN(S(=O)(=O)F)CC1	1974000775	GQSWUDNVOBXTEV-UHFFFAOYSA-N	322.280	0.314	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)C[C@@H]1CO[C@@H]2COC[C@H]21	2101814417	MWGPYAYHHBUMRG-GRYCIOLGSA-N	311.831	0.928	70	10	DCIE	
C#CC1CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	2112878150	ROQKXBRYPMXEPM-UHFFFAOYSA-N	303.336	0.599	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)CCc2ccccc2)C1	2144731987	AJDRWZUIXNRYIT-GFCCVEGCSA-N	321.395	0.933	70	10	DCIE	
CO[C@H]1COC[C@H]1NC(=O)c1ccc(S(=O)(=O)Cl)cc1	2177284380	RDWVCRRXKRVMIG-MNOVXSKESA-N	319.766	0.758	70	10	DCIE	
Fc1cnc(N2CCN3CCOC[C@@H]3C2)c([B-](F)(F)F)c1	2188593637	HTOBJEDMMCVTDO-JTQLQIEISA-N	304.076	0.796	70	10	DCIE	
CCc1cc(C(=O)N2CC(CS(=O)(=O)F)C2)n(CC)n1	2199688638	GQLIRYPMPLYECV-UHFFFAOYSA-N	303.359	0.837	70	10	DCIE	
C[C@@H]1CCC[C@H](CS(=O)(=O)NCCS(=O)(=O)Cl)O1	2316694076	NIHAZSWKXPIKMV-RKDXNWHRSA-N	319.832	0.432	70	10	DCIE	
Cc1ccc(OCC(=O)NCC#N)c(S(=O)(=O)Cl)c1	215646790	YGQCZGHVDNZFIF-UHFFFAOYSA-N	302.739	0.941	70	10	DCIE	
COCCn1c([C@H]2CCO[C@@H]2C)nnc1S(=O)(=O)Cl	133334994	VMAWDUSKJIVCCW-SFYZADRCSA-N	309.775	0.744	70	10	DCIE	
C[C@]1(C(F)(F)F)C[C@H]1C(=O)N1CCN(S(=O)(=O)F)CC1	2163652697	QAJGESINRBMXRX-CBAPKCEASA-N	318.292	0.933	70	10	DCIE	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)C1	160076055	TVHCBHXSJMEMOK-IJLUTSLNSA-N	303.428	0.420	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H](C)[C@H]2CCOC2)c1S(=O)(=O)Cl	167000341	XIJDTQCQKHZLQT-SVRRBLITSA-N	321.786	0.800	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1c1cccc(C(N)=S)n1	159804466	ODCTVJBDMBABFO-LLVKDONJSA-N	308.407	0.447	70	10	DCIE	
CCOC(=O)CN(C)CCS(=O)(=O)c1cccc(CN)c1	159892639	XSQOQWQFZIHBBJ-UHFFFAOYSA-N	314.407	0.414	70	10	DCIE	
Cn1nccc1CN1CCN(S(=O)(=O)c2cccnc2)CC1	159898809	WOTQZQIJWALJBT-UHFFFAOYSA-N	321.406	0.322	70	10	DCIE	
CCc1ccc(S(=O)(=O)NC[C@]2(OC)CCOC2)cc1N	159900919	MZAVOQAUEMZUMS-CQSZACIVSA-N	314.407	0.915	70	10	DCIE	
CN1C(C)(C)[C@H](OS(=O)(=O)C(F)(F)F)CS1(=O)=O	1931277726	JBSPUBUAPJQNMG-RXMQYKEDSA-N	311.303	0.275	70	10	DCIE	
CCCn1c([C@@H]2CO[C@H]3COC[C@H]32)nnc1S(=O)(=O)Cl	2158060995	XEQQHIFYVIHTFZ-YIZRAAEISA-N	321.786	0.744	70	10	DCIE	
COc1nc(N(C)CCn2ccnc2)ncc1[B-](F)(F)F	2172757427	BDDIWOFEVUYJFC-UHFFFAOYSA-N	300.073	0.873	70	10	DCIE	
O=S1(=O)C[C@H]2C[C@@H](CN(c3ncncc3[B-](F)(F)F)C2)C1	2185681333	HDZRFLZKHLBUOF-IUCAKERBSA-N	320.125	0.402	70	10	DCIE	
CN(C)[C@H]1CC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2101483672	HZHYGOODQNWEGA-SCZZXKLOSA-N	305.787	0.765	70	10	DCIE	
N#CCc1ccc(S(=O)(=O)CCS(=O)(=O)Cl)nc1	2083129127	TWRMIZLOMLHYRN-UHFFFAOYSA-N	308.768	0.490	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccnc(Cl)n1	2108155507	XNVBVINAMFJZCD-UHFFFAOYSA-N	308.722	0.006	70	10	DCIE	
O=C(Cc1cccc(F)c1)N[C@H]1CCN(S(=O)(=O)F)C1	2287073496	VTPQJCKNJWGMJS-NSHDSACASA-N	304.318	0.773	70	10	DCIE	
CN([C@@H]1CCS(=O)(=O)C1)[C@@]1(CN)CCc2ccccc2C1	218523366	YVJIAZTVNKHCQW-CVEARBPZSA-N	308.447	0.992	70	10	DCIE	
C[C@@H](COc1ccc(C(=O)O)cc1S(=O)(=O)Cl)C(N)=O	215653475	OLQZASJLJAOGNI-LURJTMIESA-N	321.738	0.813	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CCN1C(=O)CCC1=O	692439547	AHFIYAMKGUQAPJ-UHFFFAOYSA-N	305.743	0.268	70	10	DCIE	
Cc1nc([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)no1	1519164878	KYUBCOXFMHJLMM-RXMQYKEDSA-N	302.287	0.855	70	10	DCIE	
COCCn1c([C@@H]2[C@@H]3COC[C@@H]32)nnc1S(=O)(=O)Cl	2117946871	ZCXJHOXNXYSORA-RNLVFQAGSA-N	307.759	0.212	70	10	DCIE	
Cc1cccc(N)c1S(=O)(=O)N(C)CC1(O)CCOCC1	161006102	LRNYQTUBNAHZRF-UHFFFAOYSA-N	314.407	0.739	70	10	DCIE	
Cn1cnc2cc(C(=O)N[C@H]3CCC[C@H](C(N)=O)C3)cnc21	160576233	ZTRYXNWHPWSLST-ONGXEEELSA-N	301.350	0.742	70	10	DCIE	
CC[C@H](N)[C@@H](N1CCOC[C@@H]1C(=O)NC(C)C)C(F)(F)F	159428842	IVPHHKBMDJAMMC-HBNTYKKESA-N	311.348	0.880	70	10	DCIE	
CC(C)[C@@H](C#N)CS(=O)(=O)N1CC(CS(=O)(=O)F)C1	2134974257	CIVJZQPALSIRKG-JTQLQIEISA-N	312.388	0.343	70	10	DCIE	
CCN1C[C@H](C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)CC1=O	1968226854	HQLARGGDULEZNQ-NXEZZACHSA-N	306.359	0.145	70	10	DCIE	
CC(=O)Nc1nc(C(=O)N2CC(CS(=O)(=O)F)C2)cs1	1968226332	AIKOTLGEZPIVHY-UHFFFAOYSA-N	321.355	0.473	70	10	DCIE	
C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CC[C@@H](S(=O)(=O)F)C1	2144732395	FHNNMTBNCSZTNL-OPRDCNLKSA-N	306.359	0.049	70	10	DCIE	
CNC1CCC(Nc2cnn(CCO)c(=O)c2Cl)CC1	159765724	VXYMKFJKOBLQRS-UHFFFAOYSA-N	300.790	0.832	70	10	DCIE	
COC[C@@H](CN(C)C(=O)c1cc(S(=O)(=O)Cl)c[nH]1)OC	701014902	PJOOFPGUZXFOGS-MRVPVSSYSA-N	324.786	0.676	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1C[C@H]2[C@H](C1)C2(F)F	2164434123	CEDAHNSNDPRQBZ-IUCAKERBSA-N	312.313	0.540	70	10	DCIE	
O=C(Nc1ccccc1S(=O)(=O)F)[C@H]1CCS1(=O)=O	2094341793	OFZJTSQTVQPRKR-SECBINFHSA-N	307.324	0.470	70	10	DCIE	
Cc1nc(Cl)nc(C)c1C(=O)NC1CN(S(=O)(=O)F)C1	2284143737	WWSKMLMCAKAGRW-UHFFFAOYSA-N	322.749	0.375	70	10	DCIE	
CS(=O)(=O)N1CCC[C@H](Oc2ccncc2[B-](F)(F)F)C1	2285596290	ZTONANUVRRWMPY-VIFPVBQESA-N	323.125	0.939	70	10	DCIE	
O=C([C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1CCC[C@H](S(=O)(=O)F)C1	2353948720	MGGFQYAQFZERLA-XFVKVHEMSA-N	303.355	0.700	70	10	DCIE	
CS(=O)(=O)N[C@H]1COc2ccc(S(=O)(=O)Cl)cc21	112161755	XSSDOZIPWMASSE-QMMMGPOBSA-N	311.768	0.597	70	10	DCIE	
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)nn1	159671657	VQJHELNSSHYFLZ-LBPRGKRZSA-N	306.366	0.958	70	10	DCIE	
Cc1cc(C(N)=S)cc(N[C@@H](C)C(=O)N2CCOCC2)n1	161372744	OKLNCFCEPSGUKO-JTQLQIEISA-N	308.407	0.683	70	10	DCIE	
NC(=O)[C@H]1CCCN(C(=O)Cn2nc(C3CC3)nc2C2CC2)C1	161479196	GPPKJFOIDKIBDA-LBPRGKRZSA-N	317.393	0.757	70	10	DCIE	
CN(CCC#N)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	166129173	RBGRXRCPGQZBDB-UHFFFAOYSA-N	306.340	0.879	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1cnc(Cl)cn1	396735033	UJPIGKITRZUDTK-UHFFFAOYSA-N	305.164	0.472	70	10	DCIE	
O=C(O)c1cc(S(=O)(=O)Cl)ccc1O[C@H]1CCNC1=O	691638644	VTZBZGNVXBMDEL-VIFPVBQESA-N	319.722	0.580	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)[C@H]1CS(=O)(=O)C1(C)C	1948276142	UQCHJWMLZTZZLR-QMMMGPOBSA-N	303.833	0.453	70	10	DCIE	
CC(=O)N[C@@H](C(=O)N1CCC[C@H](S(=O)(=O)F)C1)C(C)C	1968227670	QFOJEHVZDAWEEU-WDEREUQCSA-N	308.375	0.437	70	10	DCIE	
CC1(C)CO[C@@H](CC(=O)N2CCN(S(=O)(=O)F)CC2)C1	1974013939	CDSAPGVTYPZIDM-JTQLQIEISA-N	308.375	0.550	70	10	DCIE	
C[C@H]1CN(CCC[C@@H](C)S(=O)(=O)Cl)CCS1(=O)=O	2037945441	OHKLPZDKRCWRKE-ZJUUUORDSA-N	317.860	0.843	70	10	DCIE	
CO[C@@H]1COC[C@H]1CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2154133287	PNEGFANGTMZGFA-GMSGAONNSA-N	322.770	0.333	70	10	DCIE	
COc1nc(N(C)Cc2cnn(C)n2)ncc1[B-](F)(F)F	2172767359	SUBHPMNEYRLLKN-UHFFFAOYSA-N	301.061	0.305	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1CC12CC(F)(F)C2	2189409218	HZBVKLOFZYVLMC-MRVPVSSYSA-N	312.313	0.684	70	10	DCIE	
O=C([C@@H]1C[C@]12CCCOC2)N1CC(CCS(=O)(=O)F)C1	2199690027	VIADFGSAAHLISZ-AAEUAGOBSA-N	305.371	0.951	70	10	DCIE	
O=C([C@@H]1C[C@@]12CCCOC2)N1CC(CCS(=O)(=O)F)C1	2199690029	VIADFGSAAHLISZ-WCQYABFASA-N	305.371	0.951	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1csc([N+](=O)[O-])c1	2268804629	SPBQROUJSKZLEJ-UHFFFAOYSA-N	309.300	0.285	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccncc1Cl	2271496631	ZMODNVNBYLVWQW-SSDOTTSWSA-N	307.734	0.753	70	10	DCIE	
O=S(=O)(CCN1CC[C@H]([B-](F)(F)F)C1)N1CCOCC1	2342463529	NZTXOLINTAVKNH-JTQLQIEISA-N	315.146	0.572	70	10	DCIE	
COC1CCN(C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)CC1	115792793	NGWCDMCROBNEMI-UHFFFAOYSA-N	321.786	0.897	70	10	DCIE	
CCS(=O)(=O)N1CCC(C(=O)N2CCC(C)(O)CC2)CC1	161307542	ZSTWPCBUYVZHRG-UHFFFAOYSA-N	318.439	0.422	70	10	DCIE	
Cn1cc(C(=O)NCc2ccc(S(=O)(=O)Cl)s2)nn1	311816803	JGRDKZQESKJXKN-UHFFFAOYSA-N	320.783	0.734	70	10	DCIE	
CC(=O)N[C@H](C(=O)N1CCC(S(=O)(=O)F)CC1)C(C)C	1968216658	COQUFWXRWZBCGK-NSHDSACASA-N	308.375	0.437	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ccnc2ccnn12	2038427616	OWGOKLCKDARNRB-UHFFFAOYSA-N	309.756	0.072	70	10	DCIE	
CCOCCCS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2088900035	KFBIHQIRMUHFOQ-SNVBAGLBSA-N	317.404	0.507	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CCCS(=O)(=O)CC2)n1	2172766294	DVLAECJTLSIJGH-UHFFFAOYSA-N	322.141	0.773	70	10	DCIE	
CN(C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1ncccc1[B-](F)(F)F	2174649275	QMSADMWQYFLIIX-OWUUHHOZSA-N	319.137	0.863	70	10	DCIE	
CN1CCO[C@@H](C(=O)Nc2ccccc2S(=O)(=O)F)C1	2187818099	YZZWEJOVWSBYOC-SNVBAGLBSA-N	302.327	0.614	70	10	DCIE	
C[C@H](NC(=O)c1cccs1)C(=O)N1CC(S(=O)(=O)F)C1	2199696776	YCEDZAUNTDNKRP-ZETCQYMHSA-N	320.367	0.377	70	10	DCIE	
COc1cccc(O)c1C(=O)NC1CN(S(=O)(=O)F)C1	2284154269	XJCFPFGWZUTILK-UHFFFAOYSA-N	304.299	0.029	70	10	DCIE	
CCc1nc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c(C)o1	2287077234	CVSUVLUMZYWDLK-QMMMGPOBSA-N	305.331	0.564	70	10	DCIE	
C[C@H](NC(=O)c1cnc2c(c1)ncn2C)[C@H](C)N1CCOCC1	160404548	WGBVBPHJMLLRAE-RYUDHWBXSA-N	317.393	0.807	70	10	DCIE	
CCS(=O)(=O)c1ccc(NC(=O)COC2(C)CNC2)cc1	161105087	BSSSQHCWKOGKGR-UHFFFAOYSA-N	312.391	0.797	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CO[C@H](C)[C@@H]2C)c1S(=O)(=O)Cl	405554880	BUOPWHINMHNAKZ-UIISKDMLSA-N	321.786	0.799	70	10	DCIE	
Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H](S(=O)(=O)F)C1	1968236127	SLDWYFWTRWKQIZ-SNVBAGLBSA-N	303.359	0.480	70	10	DCIE	
CC(C)(C(=O)N1CCN(S(=O)(=O)F)CC1)[C@H]1CCCO1	1974015034	PCQIRUOIXUNBRJ-SNVBAGLBSA-N	308.375	0.550	70	10	DCIE	
O=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2095467944	KVQPMBRBZTWCRY-MRTMQBJTSA-N	304.755	0.849	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CCNC1=O	2128746165	LEGXZXFGWDZZNX-MRVPVSSYSA-N	305.787	0.899	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)[C@H]2CCCC[C@H]2F)C1	2134991525	ZPTRVAZFIXYYDO-ZJUUUORDSA-N	317.379	0.828	70	10	DCIE	
O=S1(=O)CC[C@@H]2CN(c3ncc([B-](F)(F)F)cc3F)C[C@@H]21	2172787389	DTVUJPIJDDSFOY-XCBNKYQSSA-N	323.100	0.898	70	10	DCIE	
COC[C@@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C1	2181791865	SIRNZIIHNGRYDP-MNOVXSKESA-N	308.375	0.408	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CCN(C)C1=O	2182344027	NNXQHMWRJBEYDP-QMMMGPOBSA-N	321.786	0.435	70	10	DCIE	
CCn1c(-c2ccn3nncc3c2)nnc1S(=O)(=O)Cl	2186114974	POMKNRFTOXLWBM-UHFFFAOYSA-N	312.742	0.935	70	10	DCIE	
CCn1c(-c2ccn3cnnc3c2)nnc1S(=O)(=O)Cl	2188095110	JCLKILBDJMCLRG-UHFFFAOYSA-N	312.742	0.935	70	10	DCIE	
Cc1ccc(S(=O)(=O)N2CC(CCS(=O)(=O)F)C2)nn1	2199697714	LISHCQDXZJHFOB-UHFFFAOYSA-N	323.371	0.095	70	10	DCIE	
COCCn1cc(S(=O)(=O)Cl)cc1C(=O)N1CCC1	2270461787	UXHAMOPPXDNEEO-UHFFFAOYSA-N	306.771	0.908	70	10	DCIE	
O=C(N[C@H]1C[C@H]2CC[C@H]1N(S(=O)(=O)F)C2)C(F)(F)F	1954656902	SSSKXGZGSCOQNX-DSYKOEDSSA-N	304.265	0.732	70	10	DCIE	
Cn1[nH]cc/c1=N/S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1887504651	AIGJLJPFNWURPF-RAXLEYEMSA-N	319.339	0.301	70	10	DCIE	
NS(=O)(=O)NCCCc1ccc(S(=O)(=O)Cl)cc1	167468784	PMNMKMYUVREJBO-UHFFFAOYSA-N	312.800	0.340	70	10	DCIE	
CN1CC[C@H](Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)C1	691589397	CODFEOALLNSLQR-ZETCQYMHSA-N	308.747	0.671	70	10	DCIE	
CC(C)N(CCS(C)(=O)=O)c1ncncc1[B-](F)(F)F	2116144057	GBDOKXJRKRNZEC-UHFFFAOYSA-N	310.130	0.790	70	10	DCIE	
CN1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@@H]21	1520301816	AOKHFWIWVATSSU-SKDRFNHKSA-N	315.370	0.839	70	10	DCIE	
CC(C)CNC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1497056894	FBJXJFUIGMOZSR-SECBINFHSA-N	321.374	0.009	70	10	DCIE	
CN[C@H](CCN(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cn1	161242125	ZXDSZIJRHSKSDH-CHWSQXEVSA-N	315.414	0.990	70	10	DCIE	
COC(=O)Cn1ncc(NCC(F)(F)CN)c(Cl)c1=O	160057487	KPWQADNFSKPFSW-UHFFFAOYSA-N	310.688	0.076	70	10	DCIE	
COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC(C)(C)CO	160357207	IARRFXHGJUEKHQ-UHFFFAOYSA-N	319.379	0.980	70	10	DCIE	
CCCNC(=O)NC(=O)COC1CCC(C(=O)OC)CC1	160504813	KHZSDCOLJGAQKG-UHFFFAOYSA-N	300.355	0.971	70	10	DCIE	
COC1CC2(C1)CC(C(=O)N1CC(CS(=O)(=O)F)C1)C2	1968226521	DCNGXFLJZFBZCK-UHFFFAOYSA-N	305.371	0.949	70	10	DCIE	
CC(C)c1nnsc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001461	UJKUKIBRJPDDCD-UHFFFAOYSA-N	322.387	0.634	70	10	DCIE	
C[C@H](NS(=O)(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(N)cc1	159475324	JOQSDAOIZMCHDX-CABZTGNLSA-N	318.420	0.436	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1c1ccc(Cl)cc1C(N)=S	159800148	NLVVYWONRCWRHG-NSHDSACASA-N	313.810	0.925	70	10	DCIE	
O=C(N[C@@H]1CO[C@H]2COC[C@H]12)c1cc(S(=O)(=O)Cl)c[nH]1	2158070863	XCERALRSBBEEBK-QNSHHTMESA-N	320.754	0.086	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@]12COC[C@@H]1C2	718093372	CHFQGYBOPQCXRI-CPCISQLKSA-N	304.755	0.471	70	10	DCIE	
O=C([C@H]1C[C@]12CCCOC2)N1CCN(S(=O)(=O)F)CC1	2198140400	FEIVXXKJQIKGCA-PWSUYJOCSA-N	306.359	0.162	70	10	DCIE	
Cc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)cc(O)n1	2236097440	RIPTVCOROKNVMX-SNVBAGLBSA-N	302.327	1.000	70	10	DCIE	
CC(C)(C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCCO1	2287077628	MPZHPGJUDHGVRP-UWVGGRQHSA-N	308.375	0.596	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCC[C@H](N(C)C)C2)cc1N	159646033	GOAUAVYJIYBSTL-LBPRGKRZSA-N	312.439	0.707	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)[C@H](CCC)C(N)=S	159780167	FHXPOJANBKBYSZ-MNOVXSKESA-N	315.439	0.442	70	10	DCIE	
Cn1cnc2cc(C(=O)N3CCN(CC(C)(C)O)CC3)cnc21	159808606	NSUCGXMRKGSTAV-UHFFFAOYSA-N	317.393	0.497	70	10	DCIE	
Cc1noc(C)c1S(=O)(=O)N[C@H]1CCC[C@H](C(N)=O)C1	160201838	JVWDRDCWVXFQIY-UWVGGRQHSA-N	301.368	0.614	70	10	DCIE	
CO[C@]1(CNc2nc(Cl)nc(-n3cncn3)n2)CCOC1	161051445	WIPLRRGFVCDDBH-NSHDSACASA-N	311.733	0.323	70	10	DCIE	
Cc1ccc(OCNC(=O)N2CCN(CCN)CC2)c(C)c1	217276909	GXNCSOJHKDKZFN-UHFFFAOYSA-N	306.410	0.926	70	10	DCIE	
CC(C)(O)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1347230515	XSBRVJWMOMBSDR-QMMMGPOBSA-N	304.343	0.906	70	10	DCIE	
C[C@@H](NCCCO)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1717426674	JKIYWOJRTJOUAA-RKDXNWHRSA-N	321.374	0.152	70	10	DCIE	
C[C@@H]1CCS[C@@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394372	IASZCMLFLIUYJP-SCZZXKLOSA-N	310.416	0.923	70	10	DCIE	
CC(C)n1c(CCn2cnnc2)nnc1S(=O)(=O)Cl	2090393413	DNGIJJUZUWZCNG-UHFFFAOYSA-N	304.763	0.621	70	10	DCIE	
N#CC1(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)F)C2)CC1	2110056685	QXGODYAXPQQSKG-SECBINFHSA-N	310.372	0.384	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)C2[C@@H]3CCCC[C@@H]23)C1	2134974205	BVBAFEWTOXZISH-NXEZZACHSA-N	311.400	0.736	70	10	DCIE	
C[C@H]1CCCCN1S(=O)(=O)N1CC(CS(=O)(=O)F)C1	2134977023	NOMQCFZYKIZVLT-VIFPVBQESA-N	314.404	0.337	70	10	DCIE	
Cn1nnc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)c1C(F)F	2144733223	NRPJLBMLGOEQCU-YFKPBYRVSA-N	312.273	0.267	70	10	DCIE	
CSCc1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)o1	2268803960	NADAMGQRGKRYFW-UHFFFAOYSA-N	308.356	0.771	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CCC[C@@H]1C(F)F	2270135933	ZZVQKQQSPFRPKV-JGVFFNPUSA-N	300.302	0.683	70	10	DCIE	
COc1ccsc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271492473	NVHVRLSKJPVDTL-ZETCQYMHSA-N	308.356	0.775	70	10	DCIE	
O=S(=O)(N1CC[C@@H]([B-](F)(F)F)C1)N1CCC[C@H]1CO	2319671839	MQKRBNUTSXOATA-BDAKNGLRSA-N	301.119	0.611	70	10	DCIE	
C[C@@H]1CCC[C@@H](CS(=O)(=O)N2CC(S(=O)(=O)F)C2)O1	2338871772	QCJYCXRWZANQSS-BDAKNGLRSA-N	315.388	0.257	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)n1	2361663610	YNHKWODYNABDAW-APPZFPTMSA-N	321.109	0.378	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCCC[C@H]2CCO)cc1N	159554969	RNBXFPVGJNWLFI-NSHDSACASA-N	313.423	0.918	70	10	DCIE	
CCCNC(=O)CCNc1ccc(S(=O)(=O)NC)c(N)c1	159609929	XNUNLSWIIKRORW-UHFFFAOYSA-N	314.411	0.505	70	10	DCIE	
CCCNc1nnc(C(=O)N[C@H]2CCS(=O)(=O)C2)s1	159964056	PURFRELWRUTBQD-ZETCQYMHSA-N	304.397	0.277	70	10	DCIE	
COC(=O)C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)c1ccccc1	160065353	NOGWFGNXHUGACO-CHWSQXEVSA-N	304.346	0.933	70	10	DCIE	
CCNC[C@H]1COCCN1C1=NS(=O)(=O)c2ccccc21	160413351	WDWJLPFIMQXZFE-NSHDSACASA-N	309.391	0.446	70	10	DCIE	
O=C(NC[C@H]1CCCO1)N1CCCN(c2cccnn2)CC1	160767389	PVTNHDFEZFIIEI-CYBMUJFWSA-N	305.382	0.877	70	10	DCIE	
COC(=O)c1[nH]c(C)c(C(=O)N[C@H]2CCC(=O)N(C)C2)c1C	161493728	SHCMLSALTCDHII-JTQLQIEISA-N	307.350	0.769	70	10	DCIE	
O=C(Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1)N1CCCC1	215927183	QRIGOCFRBNPOOJ-UHFFFAOYSA-N	322.730	0.341	70	10	DCIE	
CC[C@H](C)N(C)CCNS(=O)(=O)c1c(N)nn(C)c1C	218313022	RANGJLVVWXZAFQ-VIFPVBQESA-N	303.432	0.319	70	10	DCIE	
C=CCNC(=O)Cn1nc([N+](=O)[O-])c(S(=O)(=O)Cl)c1C	302326233	QZQHYKHHZUPMQE-UHFFFAOYSA-N	322.730	0.329	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1Cc1cn(C)nn1	312653326	VIOWZLLREKITEA-UHFFFAOYSA-N	320.718	0.204	70	10	DCIE	
CCO[C@H]1CS(=O)(=O)C[C@@H]1C1(S(=O)(=O)Cl)CC1	696656522	SAYSEFMCBKQSQT-YUMQZZPRSA-N	302.801	0.537	70	10	DCIE	
O=C(CSc1ccncc1)N1CCN(S(=O)(=O)F)CC1	1974000902	IYJVCTQYPBXBAQ-UHFFFAOYSA-N	319.383	0.532	70	10	DCIE	
O=C(CSc1ccncc1)NCC1CN(S(=O)(=O)F)C1	1974059980	QMGMMLYNRLNGKO-UHFFFAOYSA-N	319.383	0.436	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)N2CCCCC2)CC1	2088470076	UJUKKJSASWIMCV-UHFFFAOYSA-N	314.404	0.481	70	10	DCIE	
C[C@@H]1C[C@H]1CS(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	2108443359	HIHUMWNSASYTOS-RQJHMYQMSA-N	311.360	0.476	70	10	DCIE	
COc1cc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)ccn1	2166951069	VTFAICCLBBIJRI-JTQLQIEISA-N	302.327	0.994	70	10	DCIE	
COCCn1nnnc1Sc1ncc([B-](F)(F)F)c(C)n1	2172718081	TYOPPVUUHHLVOJ-UHFFFAOYSA-N	319.101	0.624	70	10	DCIE	
O=C([C@H]1C[C@H]1C1CCOCC1)N1CC(CS(=O)(=O)F)C1	2200090579	KKTKHXWZQCOGKC-RYUDHWBXSA-N	305.371	0.807	70	10	DCIE	
O=C(C1C[C@H]2COC[C@H](C1)C2)N1CC(CS(=O)(=O)F)C1	2206844415	GPVPHLADSZZMFX-UWVGGRQHSA-N	305.371	0.807	70	10	DCIE	
CN(C)c1ccc(C(=O)NC2CN(S(=O)(=O)F)C2)cc1	2284151159	OPNJRRRJVGYYNZ-UHFFFAOYSA-N	301.343	0.381	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@@H]2C=C[C@H]1CC2	2354657596	GITAXVGRDHOMAR-ADEWGFFLSA-N	302.371	0.851	70	10	DCIE	
COC[C@@]12CCO[C@@H]1CN(c1ncc([B-](F)(F)F)cn1)C2	2361567643	HWXSYLIHESFZEB-PWSUYJOCSA-N	302.085	0.773	70	10	DCIE	
O=C(CN1CCCCCCC1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	7525380	HRTZZNYRPYMUAH-VXGBXAGGSA-N	322.858	0.773	70	10	DCIE	
C[C@]1(n2ncc(C#N)c2S(=O)(=O)Cl)CCS(=O)(=O)C1	112360348	YSINPCVEFFBDJE-VIFPVBQESA-N	323.783	0.216	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N[C@@H]2CCCNC2=O)c1F	159511931	AKMVRMHIVNMGNF-SECBINFHSA-N	301.343	0.273	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cccc(F)c2N)CCOC1	159914928	ALRIDBRBDKUZME-GFCCVEGCSA-N	304.343	0.492	70	10	DCIE	
CC(C)Cn1ncc(N2CCO[C@@H](CN)C2)c(Cl)c1=O	160064523	UJPNGRFTJQALPG-JTQLQIEISA-N	300.790	0.717	70	10	DCIE	
CC1(O)CCN(S(=O)(=O)CCOc2ccccc2N)CC1	160363362	HPOCUPAMMLVGGT-UHFFFAOYSA-N	314.407	0.824	70	10	DCIE	
COC[C@@H](O)CN(C)C(=O)/C=C\c1c(C)nn(C)c1Cl	218103990	OVQCJYWIIHSBOD-OMMCCPJFSA-N	301.774	0.861	70	10	DCIE	
COC1CC(NC(=O)c2cc(S(=O)(=O)Cl)cn2C)C1	234661714	XLMSNWGKCDLVDQ-UHFFFAOYSA-N	306.771	0.860	70	10	DCIE	
COCCn1c([C@@H]2CCOC[C@H]2C)nnc1S(=O)(=O)Cl	305962681	KDYIMOOBEMYQQT-RKDXNWHRSA-N	323.802	0.992	70	10	DCIE	
Cc1nc(C(=O)NC2CCN(S(=O)(=O)F)CC2)c(C)o1	1974394332	HLUDLMCSDXPCET-UHFFFAOYSA-N	305.331	0.700	70	10	DCIE	
O=S1(=O)C[C@@H]2CCN(c3ncccc3[B-](F)(F)F)[C@H]2C1	2116148860	VZYXDZNNWHWWDQ-WPRPVWTQSA-N	305.110	0.759	70	10	DCIE	
CCc1[nH]nc(C(=O)NC[C@H]2C[C@H]2F)c1S(=O)(=O)Cl	2131800444	MTDNJMYDQJQTIR-PHDIDXHHSA-N	309.750	0.987	70	10	DCIE	
C[C@@H]1CN(c2ncc(F)cc2[B-](F)(F)F)CCS1(=O)=O	2132078259	ZALPKGCDNYOEKT-SSDOTTSWSA-N	311.089	0.898	70	10	DCIE	
O=C1CCC[C@@H](Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)N1	2145917136	DUAXOHJKYHWSFT-LURJTMIESA-N	322.730	0.388	70	10	DCIE	
CN([C@@H]1CCN(c2ncccc2[B-](F)(F)F)C1)S(C)(=O)=O	2172782573	SXLXWEXXHDVMCO-SECBINFHSA-N	322.141	0.606	70	10	DCIE	
Cc1ncc2c(S(=O)(=O)CCS(=O)(=O)Cl)nccn12	2268887623	PYSBTTBITSNRPL-UHFFFAOYSA-N	323.783	0.380	70	10	DCIE	
C[C@@H]1CC[C@H](S(C)(=O)=O)CN1c1ncc([B-](F)(F)F)cn1	2279396180	XCACFHCMKLPZLC-SCZZXKLOSA-N	322.141	0.933	70	10	DCIE	
O=C(Cc1ccccc1O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287075497	NHECAVKFYICXGZ-SNVBAGLBSA-N	302.327	0.340	70	10	DCIE	
C[C@H](CCCN1C[C@H]2CS(=O)(=O)[C@@H]2C1)S(=O)(=O)Cl	2314955265	DRBJVRZSZQBLAO-KXUCPTDWSA-N	315.844	0.453	70	10	DCIE	
C[C@@H](C(=O)N1CCOCC1)n1cc(S(=O)(=O)Cl)cn1	215827846	ICNPNDVBQXIWAH-QMMMGPOBSA-N	307.759	0.230	70	10	DCIE	
CCOc1ccc(CNC(=O)N2CCN(CCO)CC2)cc1	217300874	ASHQTBIHGMOVRL-UHFFFAOYSA-N	307.394	0.905	70	10	DCIE	
Cc1ccnc(C(=O)N2CCN(S(=O)(=O)F)CC2)c1C	2163655541	NXDPXLHFLIQXDV-UHFFFAOYSA-N	301.343	0.671	70	10	DCIE	
Cc1nc(N2C[C@H]3C[C@H]2CS3(=O)=O)ccc1[B-](F)(F)F	2116146969	ZGEPXVJSCSLDDK-DTWKUNHWSA-N	305.110	0.820	70	10	DCIE	
O=S1(=O)CC[C@@H]2CN(c3ncncc3[B-](F)(F)F)C[C@H]21	2116150076	LLAPYPRQVLRBDA-VXNVDRBHSA-N	306.098	0.154	70	10	DCIE	
CN1C[C@H](NS(=O)(=O)c2ccc(F)c(F)c2)CCC1=O	160050478	DUMBMWLNGNLHDH-MRVPVSSYSA-N	304.318	0.864	70	10	DCIE	
O=C(N1CC(CS(=O)(=O)F)C1)C(F)(F)[C@@H]1CCOC1	2134989994	NYTZRGJBTBFVPC-MRVPVSSYSA-N	301.286	0.416	70	10	DCIE	
C[C@]1(C(F)F)C[C@H]1C(=O)N1CCN(S(=O)(=O)F)CC1	1974015151	QBLUCRNRNLNFQN-XVKPBYJWSA-N	300.302	0.636	70	10	DCIE	
Cc1nc(N2CCC[C@H]2CS(C)(=O)=O)ncc1[B-](F)(F)F	2172770166	HUVDAYOMSXVTQG-VIFPVBQESA-N	322.141	0.853	70	10	DCIE	
Cc1cnc(N2C[C@H]3[C@@H](C2)OCCN3C)c([B-](F)(F)F)c1	2172789358	DWNKRHHOELLXKD-NWDGAFQWSA-N	300.113	0.964	70	10	DCIE	
COc1cccc(C(=O)N2CC(CCS(=O)(=O)F)C2)n1	2199688969	NUYAQCCOXDLELR-UHFFFAOYSA-N	302.327	0.852	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1CCC1(F)F	2335327263	XMUOGSYKNJUWIU-YFKPBYRVSA-N	314.697	0.922	70	10	DCIE	
CCC[C@H](C(=O)N1CCOC[C@@H]1C(=O)NC(C)C)C(N)=S	159786209	JRTDKXYXODNLBA-WDEREUQCSA-N	315.439	0.441	70	10	DCIE	
CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCNC(=O)CC1)CC2	161439465	HMSMWYMNEGSCOV-NSHDSACASA-N	320.397	0.248	70	10	DCIE	
CC(C)(C)NC(=O)Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215905860	WYZIWIAPCZIJFY-UHFFFAOYSA-N	324.746	0.634	70	10	DCIE	
O=C(COCc1ccccc1)NC[C@H](O)Cn1ccccc1=O	218449147	RJFPZHKNEVOSCD-HNNXBMFYSA-N	316.357	0.542	70	10	DCIE	
CC(C)Cn1c(CS(C)(=O)=O)nnc1S(=O)(=O)Cl	227590936	FMNOQJHOBZEFBD-UHFFFAOYSA-N	315.804	0.406	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CCN(C)C1=O	692743870	XCDUJAGCCXKPGM-MRVPVSSYSA-N	305.787	0.851	70	10	DCIE	
O=C1NC[C@H](Cn2cc(S(=O)(=O)Cl)nc2C2CC2)O1	704281592	YTHHUXOMZOOPBZ-SSDOTTSWSA-N	305.743	0.796	70	10	DCIE	
O=C(NC1(C(F)F)COC1)c1cc(S(=O)(=O)Cl)c[nH]1	1882810846	PLFZYKYKUZHZHS-UHFFFAOYSA-N	314.697	0.706	70	10	DCIE	
CC[C@H]1OCC[C@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394710	NYJPVXQFUQTHCT-GHMZBOCLSA-N	308.375	0.596	70	10	DCIE	
Cn1c([C@@H]2CCn3ncnc3C2)nnc1S(=O)(=O)Cl	2108980855	ZHXWCKCNGGYYMP-ZCFIWIBFSA-N	302.747	0.064	70	10	DCIE	
COC[C@H]1C[C@@H]1CNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2133426812	FCXRZTGOWXASSM-HTQZYQBOSA-N	306.771	0.955	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2[C@@H]3COC[C@H]2C3)cc1	2198726279	JVHJUEDVJDVEOE-DTORHVGOSA-N	321.351	0.507	70	10	DCIE	
C[C@@H]1O[C@@]2(C(=O)NCC3CN(S(=O)(=O)F)C3)CC[C@H]1C2	2199143757	NMNXOZQUFCNWOV-PEXQALLHSA-N	306.359	0.206	70	10	DCIE	
O=C(CSc1nncn1C1CC1)N1CC(S(=O)(=O)F)C1	2199691519	BFMFNRBMALRCEZ-UHFFFAOYSA-N	320.371	0.215	70	10	DCIE	
O=C(CCc1ccccc1O)NC1CN(S(=O)(=O)F)C1	2284149559	DGMUFBOMQSEIGG-UHFFFAOYSA-N	302.327	0.340	70	10	DCIE	
COc1ccc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)c(N)c1	2286954227	FLIUUFRWBNGBPT-SECBINFHSA-N	302.327	0.791	70	10	DCIE	
Cc1noc(C)c1CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287080182	QDAYFSMSABICOO-SECBINFHSA-N	305.331	0.239	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ncc(Cl)cn1	168089919	GWZWHXPHDFARNK-UHFFFAOYSA-N	305.164	0.472	70	10	DCIE	
CN(C)CCCNS(=O)(=O)c1c[nH]c(CNC2CC2)c1	217502708	OFZUADCUUYQWHS-UHFFFAOYSA-N	300.428	0.497	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1Cc1cnn(C)n1	2125954725	YIGSIGBEKMPAIM-UHFFFAOYSA-N	305.747	0.134	70	10	DCIE	
CC1CCC2(CC1)NC(=O)N(CC(=O)NCC(C)(C)N)C2=O	160059001	YBWDWMRBMBECIP-UHFFFAOYSA-N	310.398	0.341	70	10	DCIE	
COC(=O)CCCS(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	160503830	QVBWJJGJYLCPFA-OCCSQVGLSA-N	319.423	0.896	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCC[C@@H]2CN(C)C)cc1N	159618349	KYNHFQNPNQGOHN-GFCCVEGCSA-N	312.439	0.707	70	10	DCIE	
COc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)nc1	1913963372	VJQFDJFWERPIGT-SNVBAGLBSA-N	302.327	0.994	70	10	DCIE	
Cc1ccccc1Cn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	112727632	DKSSTKIJTCAMET-UHFFFAOYSA-N	314.750	0.821	70	10	DCIE	
COCCn1c(-c2cn(C)nc2C)nnc1S(=O)(=O)Cl	227441310	AZUYLLGQXODZTC-UHFFFAOYSA-N	319.774	0.561	70	10	DCIE	
O=C([C@H]1CCCC1(F)F)N1CCN(S(=O)(=O)F)CC1	1974014946	OHLCKRQHTHVEMR-MRVPVSSYSA-N	300.302	0.780	70	10	DCIE	
CNC(=O)[C@H]1COCCN1c1cc(Cl)ccc1C(N)=S	159798160	CKROYVVVMXRSER-LLVKDONJSA-N	313.810	0.925	70	10	DCIE	
CS(=O)(=O)N1CCCN(c2ncccc2[B-](F)(F)F)CC1	2172784755	QTRLPHKSOVXDDW-UHFFFAOYSA-N	322.141	0.608	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C1	2199691718	DDUXVTFJGZDJLV-UHFFFAOYSA-N	321.351	0.294	70	10	DCIE	
COC[C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C1	2181791867	SIRNZIIHNGRYDP-WDEREUQCSA-N	308.375	0.408	70	10	DCIE	
COC[C@@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C1	2181791864	SIRNZIIHNGRYDP-GHMZBOCLSA-N	308.375	0.408	70	10	DCIE	
O=C(NC[C@@H](O)Cn1ccccc1=O)c1noc2c1CCCC2	218440963	KFICFVZQHKVOGB-LLVKDONJSA-N	317.345	0.506	70	10	DCIE	
COc1nc(OC)c([C@@H]2CC(=O)N2S(=O)(=O)Cl)s1	381318731	VFMARKCARHXORL-BYPYZUCNSA-N	312.756	0.917	70	10	DCIE	
C[C@H](CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCF	1700770780	PKATUOANQOBNOR-MRVPVSSYSA-N	309.338	0.693	70	10	DCIE	
COCCNC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O	160588899	QOWMWOJVBMBBGP-NSHDSACASA-N	304.350	0.731	70	10	DCIE	
COC[C@@H](O)CCNC(=O)C[C@@H](NC(C)=O)c1ccccc1	160880580	RDECCRSAIAEISW-LSDHHAIUSA-N	308.378	0.768	70	10	DCIE	
Cc1ccc(F)c(S(=O)(=O)N2CC(S(=O)(=O)F)C2)c1	2134975616	QMSMOFXWGHLTDF-UHFFFAOYSA-N	311.331	0.806	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1c1nc(Cl)nc(Cl)n1	160276237	DNRXEKWCCBAULE-SSDOTTSWSA-N	320.180	0.910	70	10	DCIE	
O=C(Cn1nc(O)ccc1=O)N1CCC[C@@H]([B-](F)(F)F)C1	2190462400	HYXHIRKAPVUCJS-MRVPVSSYSA-N	304.057	0.789	70	10	DCIE	
O=C([C@H]1CCCc2nccn21)N1CC[C@@H](S(=O)(=O)F)C1	2186050300	IGSJMTPBFRAYGU-NXEZZACHSA-N	301.343	0.661	70	10	DCIE	
Cc1cc(Cl)nc(CN2CCOC[C@@H]2C(=O)NC2CC2)n1	159497218	UCGCOISMAWAETJ-LLVKDONJSA-N	310.785	0.918	70	10	DCIE	
CCOC(=O)c1nnn(Cc2nnc(C)n2C)c1C(F)F	159605370	MKDWWMPSDWUSNO-UHFFFAOYSA-N	300.269	0.878	70	10	DCIE	
COc1cccc2c1OCC(C(=O)N1CCNC(=O)CC1)=C2	161452044	NBLVSLAQVLNRDA-UHFFFAOYSA-N	302.330	0.820	70	10	DCIE	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H](C(N)=O)C(C)C	1627492943	OZNPQVDVKCQMCO-NSHDSACASA-N	316.354	0.893	70	10	DCIE	
NC1=CCN(c2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)N1	1652218020	WOLOOJHJQLGPRX-UHFFFAOYSA-N	302.287	0.519	70	10	DCIE	
O=C(c1cc(F)ccc1F)N1CCN(S(=O)(=O)F)CC1	1974000593	CCSFDHYHHXLALO-UHFFFAOYSA-N	308.281	0.937	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCOC[C@H]2[C@H]2CCOC2)nc1	2172785905	WPNNUJFBLCIZMW-ONGXEEELSA-N	302.085	0.773	70	10	DCIE	
O=C1C[C@H](COc2ccc(S(=O)(=O)F)cc2C(=O)O)N1	2191420734	AGXJQGJMVMLBSM-ZCFIWIBFSA-N	303.267	0.310	70	10	DCIE	
O=C([C@H]1CCc2c[nH]nc2C1)N1CC(CS(=O)(=O)F)C1	2199682071	CRFWEMXDMQVESP-VIFPVBQESA-N	301.343	0.272	70	10	DCIE	
O=S(=O)(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccsc1	2259010211	QZLXPPYRWIDAEP-SSDOTTSWSA-N	314.385	0.315	70	10	DCIE	
O=C(COc1cccc(Cl)c1)NC1CN(S(=O)(=O)F)C1	2284153944	SWSPTTSVJWQJLJ-UHFFFAOYSA-N	322.745	0.734	70	10	DCIE	
Cc1nc(Cl)ncc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287071200	WYFOLLFXTILECE-SSDOTTSWSA-N	322.749	0.457	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2c(C)ccc(N)c2C)CCOC1	159909724	LJSZDDZAMKWCRZ-AWEZNQCLSA-N	314.407	0.969	70	10	DCIE	
CCCCOCCCNS(=O)(=O)CCN1CCNCC1	160374902	WNPOVIFCSMYKBF-UHFFFAOYSA-N	307.460	0.018	70	10	DCIE	
CO[C@@H](C)[C@](C)(CN)N1CCn2c(nnc2C(F)(F)F)C1	161337946	CAMDRZOHNYFHSQ-KWQFWETISA-N	307.320	0.865	70	10	DCIE	
O=C(NS(=O)(=O)Cl)Oc1ncn(-c2ccccc2)n1	228042768	PEIVXCRPMSVOJQ-UHFFFAOYSA-N	302.699	0.839	70	10	DCIE	
COCCn1c([C@H](C)n2cncn2)nnc1S(=O)(=O)Cl	234670865	XBDMGMAOCVPMTR-ZETCQYMHSA-N	320.762	0.053	70	10	DCIE	
COC[C@@H](CNC(=O)c1cc(S(=O)(=O)Cl)cn1C)OC	234753699	XSLOUWFPLXIKDM-MRVPVSSYSA-N	324.786	0.344	70	10	DCIE	
CC[C@H]1C[C@H](NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)CO1	688460377	ZERKDBUUPKEKLP-YUMQZZPRSA-N	321.786	0.943	70	10	DCIE	
Cc1[nH]nc(C(=O)NCCOC2CCC2)c1S(=O)(=O)Cl	691247406	YWXWVYFBRPGKKY-UHFFFAOYSA-N	321.786	0.945	70	10	DCIE	
Cn1ccc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)cc1=O	1968226412	BQCUPYWEVKXBKQ-JTQLQIEISA-N	302.327	0.289	70	10	DCIE	
O=C(C[C@H]1CCCCO1)NC1CCN(S(=O)(=O)F)CC1	1974394962	SBGBBERYCPPXLA-LLVKDONJSA-N	308.375	0.741	70	10	DCIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)[C@@H]2CCC[C@H]2F)C1	2055249574	IVZMIVQNCOCGSZ-IWSPIJDZSA-N	303.352	0.580	70	10	DCIE	
Cc1c(-c2nnc(S(=O)(=O)Cl)n2C(C)C)nnn1C	2088347010	HJZDRMOZLFYSEX-UHFFFAOYSA-N	304.763	0.890	70	10	DCIE	
COC[C@H]1C[C@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2133554658	JWHXPZTXBQFKGL-NKWVEPMBSA-N	308.743	0.159	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCN(C3COC3)CC2)n1	2172758261	NJGVHTCHZUWDAG-UHFFFAOYSA-N	301.101	0.360	70	10	DCIE	
CCCN(c1cnn(CCO)c(=O)c1Cl)[C@H]1CCNC1	159396491	SCODFCAEIPWWRG-JTQLQIEISA-N	300.790	0.467	70	10	DCIE	
NC(=O)COc1ccc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)cc1	159542091	PPSMSNSPZRTTFS-BETUJISGSA-N	303.362	0.517	70	10	DCIE	
CCOc1cc(N)cc(C(=O)NC[C@@H]2CCCS2(=O)=O)c1	159796093	XFQOZKAOHLPIQL-ZDUSSCGKSA-N	312.391	0.975	70	10	DCIE	
C[C@@H](N)[C@@H]1CN(c2c(Cl)cnn(CC3CC3)c2=O)CCO1	159950010	PBJPQAJQQGKWAZ-SKDRFNHKSA-N	312.801	0.859	70	10	DCIE	
CCOCCS(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1O	160327272	ZGBTZZWTZKPLFF-UHFFFAOYSA-N	323.392	0.574	70	10	DCIE	
CNC(=O)c1ccc(S(=O)(=O)N(C)C[C@H](O)C2CC2)cc1	161449228	DMJJHEJRZOEPDD-ZDUSSCGKSA-N	312.391	0.438	70	10	DCIE	
CCn1c([C@H]2CCS(=O)(=O)C2)nnc1S(=O)(=O)Cl	227587129	YKQORRLQOKCCMO-LURJTMIESA-N	313.788	0.128	70	10	DCIE	
CNC(=O)COc1ccc(C(C)=O)cc1S(=O)(=O)Cl	261076779	YMRWETLQHKXRLM-UHFFFAOYSA-N	305.739	0.942	70	10	DCIE	
COCCNC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1732437875	DRRBBVLMQNWFBD-SECBINFHSA-N	321.374	0.369	70	10	DCIE	
O=C(c1ccnn1[C@@H]1CC1(F)F)N1CC(S(=O)(=O)F)C1	1968215214	BQNNMDCVDZNRPM-MRVPVSSYSA-N	309.269	0.587	70	10	DCIE	
CS(=O)(=O)C[C@@H]1CCCCN1CCCS(=O)(=O)Cl	2033838173	GKTYLAVBOCRYEE-JTQLQIEISA-N	317.860	0.844	70	10	DCIE	
CC(C)(C)CS(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2045937959	YDBAWNPREOZDDU-UHFFFAOYSA-N	302.393	0.098	70	10	DCIE	
O=C(OC[C@@H]1COCCCO1)c1cc(S(=O)(=O)Cl)c[nH]1	2154025363	HOTDXQRLKIVCJZ-QMMMGPOBSA-N	323.754	0.905	70	10	DCIE	
CCc1[nH]nc(C(=O)NCC2(OC)CC2)c1S(=O)(=O)Cl	2166601869	REIBEBGNABZMTH-UHFFFAOYSA-N	321.786	0.808	70	10	DCIE	
COC[C@@H]1CN(c2ncc([B-](F)(F)F)cn2)C[C@H]1COC	2172785093	IGZWTDGIYKWYTD-UWVGGRQHSA-N	304.101	0.876	70	10	DCIE	
CO[C@@H]1C[C@@H](C(=O)N2CC(CS(=O)(=O)F)C2)C12CCC2	2199691514	BDPYDUGCMLGNQM-WDEREUQCSA-N	305.371	0.949	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccnc(Cl)n1	2271485946	RTCOFWVHYPOQNG-ZCFIWIBFSA-N	308.722	0.148	70	10	DCIE	
O=S(=O)(N1CCC[C@H](O)C1)N1CC[C@H]([B-](F)(F)F)C1	2319746185	WDFYYWDZMKFMJC-IUCAKERBSA-N	301.119	0.611	70	10	DCIE	
C[C@@H]1CCC[C@H](CS(=O)(=O)N2CC(S(=O)(=O)F)C2)O1	2338871779	QCJYCXRWZANQSS-RKDXNWHRSA-N	315.388	0.257	70	10	DCIE	
CC1CCN(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)CC1	7459629	KDQOBRWVKIASKI-WDEREUQCSA-N	308.831	0.239	70	10	DCIE	
CC1(C)CN(C(=O)CCn2ccccc2=O)CCS1(=O)=O	160121546	UKPSSFXKFFBFIJ-UHFFFAOYSA-N	312.391	0.274	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1c(F)c(F)nc(F)c1F	160261498	VZWUZMQXAQGSKJ-ZCFIWIBFSA-N	307.247	0.979	70	10	DCIE	
CC[C@@H]1CC[C@@H](CN)[C@@H](N2CCN(S(C)(=O)=O)CC2)C1	217959877	CQAXLFPILZZJQS-RDBSUJKOSA-N	303.472	0.717	70	10	DCIE	
O=C(CCc1ccccc1)NC[C@@H](O)Cn1ccccc1=O	218418911	BWGFAMLPMSPSIJ-OAHLLOKOSA-N	300.358	0.958	70	10	DCIE	
C[C@@H]1COC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	699725501	MUASTNHFVOCLJS-LDYMZIIASA-N	323.367	0.658	70	10	DCIE	
Cc1cc(O)nc(Cn2cc(S(=O)(=O)Cl)nc2C)n1	700539557	GQRAOVBHPHBVDW-UHFFFAOYSA-N	302.743	0.971	70	10	DCIE	
C[C@H](CCCN(C)CCS(C)(=O)=O)S(=O)(=O)Cl	1949709762	LZIQZDIQLZIXQO-SECBINFHSA-N	305.849	0.700	70	10	DCIE	
C#CCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	1963999740	TZFKDULFLLODSC-UHFFFAOYSA-N	305.352	0.989	70	10	DCIE	
CCn1c([C@H](OC)[C@@H]2CCOC2)nnc1S(=O)(=O)Cl	2093879360	OBAHBFITZSWRGK-HTQZYQBOSA-N	309.775	0.950	70	10	DCIE	
C#CCOCCn1nc(OC)c(S(=O)(=O)Cl)c1OC	2094360338	VBUYKMVDOBFZCB-UHFFFAOYSA-N	308.743	0.478	70	10	DCIE	
COc1cc(C(=O)N2CC(CCS(=O)(=O)F)C2)sn1	2134990310	PTYJGCYJCSIHDN-UHFFFAOYSA-N	308.356	0.913	70	10	DCIE	
O=C(CN1CCCC1=O)Nc1ccc(S(=O)(=O)F)nc1	2166521502	JZFPBOYDFPHVFA-UHFFFAOYSA-N	301.299	0.301	70	10	DCIE	
Cc1ncnc(N2CCOCCC23COC3)c1[B-](F)(F)F	2172769518	YTWYKVCFNZGRBQ-UHFFFAOYSA-N	302.085	0.835	70	10	DCIE	
COc1nc(N2C[C@@H]3CC[C@H](C2)N3C)ncc1[B-](F)(F)F	2172772428	NMFCRRLKTGYOCQ-DTORHVGOSA-N	301.101	0.822	70	10	DCIE	
O=C(N1CC(CS(=O)(=O)F)C1)[C@@]12CCCCN1CCC2	2199694978	TXHJQQJFUHYPOX-ZDUSSCGKSA-N	304.387	0.763	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(OCCCS(C)(=O)=O)n1	2278384458	ICAKOLYXTOOULW-UHFFFAOYSA-N	311.114	0.961	70	10	DCIE	
COC[C@H](C)S(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	159382483	DVMVVIKUESILAQ-QWRGUYRKSA-N	316.427	0.671	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N2CCn3cnnc3C2)c1F	159533779	ZGUIXTQNMOSEDC-UHFFFAOYSA-N	311.342	0.512	70	10	DCIE	
CCCCN(CCO)c1ccc(S(=O)(=O)NC)c(N)c1	159588237	NJPIXHWBINHJLE-UHFFFAOYSA-N	301.412	0.776	70	10	DCIE	
Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1	161259264	BUVQSGXMFAUUPB-VIFPVBQESA-N	324.768	0.719	70	10	DCIE	
O=CNCCCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	217287209	UPIGUDZWTQWHQA-AWEZNQCLSA-N	318.377	0.223	70	10	DCIE	
O=C1CN(C(=O)/C=C\c2ccccc2Br)CC(=O)N1	217755400	JUYPOQOJYZPSLV-WAYWQWQTSA-N	323.146	0.947	70	10	DCIE	
CC[C@@]1(C(=O)Nc2ncc(S(=O)(=O)F)s2)CCNC1=O	1534287336	QNDRGTCMUUSAJN-SNVBAGLBSA-N	321.355	0.656	70	10	DCIE	
O=C(c1cn2c(n1)CCCC2)N1CC(CS(=O)(=O)F)C1	1968227245	LSABKKOCALEUBI-UHFFFAOYSA-N	301.343	0.591	70	10	DCIE	
O=[N+]([O-])c1nn(C[C@H]2OCC[C@@H]2F)cc1S(=O)(=O)Cl	2122531206	MCGHMSOUYQKGJO-NTSWFWBYSA-N	313.694	0.846	70	10	DCIE	
CO[C@H](C(=O)N1CC[C@H](S(=O)(=O)F)C1)[C@H]1CCCOC1	2150281266	LMHUAZLJQXWOSK-DCAQKATOSA-N	309.359	0.328	70	10	DCIE	
C[C@H](CCCN1CC(N2CCN(C)CC2)C1)S(=O)(=O)Cl	2155496603	AVAYPSFHJZSNPE-GFCCVEGCSA-N	323.890	0.655	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	2164430110	FHOTUAABBAWVEK-NAKRPEOUSA-N	302.371	0.541	70	10	DCIE	
Cc1nc(N2CCOC[C@@H]2CN(C)C)ncc1[B-](F)(F)F	2172773049	VWSDGEBOWYDSEA-JTQLQIEISA-N	303.117	0.606	70	10	DCIE	
CO[C@H](C(=O)N1CC(CCS(=O)(=O)F)C1)[C@H]1CCCO1	2199696189	GVKDWQIVRPSSBO-MNOVXSKESA-N	309.359	0.328	70	10	DCIE	
O=C([C@@H](O)Cc1ccccc1)N1CC[C@H](S(=O)(=O)F)C1	2205350312	RSUFFYUNKRBAIB-RYUDHWBXSA-N	301.339	0.490	70	10	DCIE	
Cc1c(C(=O)N[C@H](CO)CC(C)C)cccc1S(N)(=O)=O	161261986	QCPBMBRUYWPAGN-NSHDSACASA-N	314.407	0.779	70	10	DCIE	
CC1(OCCN2CCn3c(nnc3C(F)(F)F)C2)CNC1	161296523	SSHGVUOYKUUJHU-UHFFFAOYSA-N	305.304	0.491	70	10	DCIE	
NC(=O)CN1CCC(NC(=O)c2cccc(N)c2Cl)CC1	160288946	IPOUWYFDBAKQKQ-UHFFFAOYSA-N	310.785	0.602	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccc([C@@H](C)N)cc2)CCOC1	160662144	QOUQDIWRGTZVCB-RISCZKNCSA-N	314.407	0.790	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1c1ccc(C(N)=S)nc1	159805750	XMAKDBYGMROBGN-LBPRGKRZSA-N	308.407	0.447	70	10	DCIE	
O=C(C1CC2(CCOC2)C1)N1CCN(S(=O)(=O)F)CC1	1974014714	LVXBDCOCXPQWTE-UHFFFAOYSA-N	306.359	0.162	70	10	DCIE	
C[C@H](C(=O)NC1CCN(S(=O)(=O)F)CC1)n1cccn1	1974401631	DUJUALGGCJJVRK-SECBINFHSA-N	304.347	0.239	70	10	DCIE	
CSCCS(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2022197377	CAGKDTZZOXWOAL-UHFFFAOYSA-N	305.418	0.300	70	10	DCIE	
C[C@@H]1CCCN1CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2161264651	BKESJMSNYLWROD-MRVPVSSYSA-N	321.786	0.361	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@]12COC[C@@H]1C2	689330234	RKCNZLCHIRTKGW-QPUJVOFHSA-N	318.782	0.719	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC[C@H]2[C@@H]1C2(F)F	2287069680	BWODEWYCZXHGPQ-LURQLKTLSA-N	312.313	0.683	70	10	DCIE	
O=C(N[C@H](CS(=O)(=O)Cl)C(=O)O)OCc1ccccc1	102286315	PYEINAUQTIMUFH-SECBINFHSA-N	321.738	0.935	70	10	DCIE	
Cc1nn(-c2ncnc3nc[nH]c23)c(S(=O)(=O)Cl)c1C#N	158947419	JYDPCSIAGVUFSV-UHFFFAOYSA-N	323.725	0.646	70	10	DCIE	
COCCn1ncc(N2CC[C@@H](C)[C@@H](N)C2)c(Cl)c1=O	159487841	FZWWJXOWQBIERN-ZJUUUORDSA-N	300.790	0.717	70	10	DCIE	
C[C@H](CO)[C@@H](C)NC(=O)c1ccc(NS(C)(=O)=O)cc1	160416836	LPKWTOHRUUACSR-NXEZZACHSA-N	300.380	0.805	70	10	DCIE	
N[C@H]1CCC[C@H](CCC(=O)NC2CCS(=O)(=O)CC2)C1	160974773	BPSIEAUNUONBLX-NEPJUHHUSA-N	302.440	0.978	70	10	DCIE	
Cc1cc(C[C@@H](C)NC(=O)CSc2nnnn2C2CC2)n[nH]1	161065186	PQMSTTFIYWIFOT-MRVPVSSYSA-N	321.410	0.879	70	10	DCIE	
Cc1noc([C@H]2COCCN2C[C@H](O)COCc2ccco2)n1	161139468	NRHMWBKUMNYHOZ-GXTWGEPZSA-N	323.349	0.922	70	10	DCIE	
CC(=O)Oc1cccc(NC(=O)NCCN2CCNCC2)c1	217265227	LTVHMJYIBDPWHI-UHFFFAOYSA-N	306.366	0.639	70	10	DCIE	
CCO[C@H]1CCN(C(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	701750975	LPFWGEBBNMMWOA-QMMMGPOBSA-N	321.786	0.897	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cc(Cl)ccn2)[nH]1	1923193714	SLTFZEKRGKNRCW-UHFFFAOYSA-N	318.717	0.801	70	10	DCIE	
C=CCN(CC=C)S(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2107332795	YCLCQXZTXUWZGI-SNVBAGLBSA-N	312.388	0.279	70	10	DCIE	
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)F)nc1)S(C)(=O)=O	2110216688	UQKHJOAIORXOCX-LURJTMIESA-N	310.328	0.111	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1CC(CS(C)(=O)=O)C1	2116158330	RWZDCTUYOCAGJR-UHFFFAOYSA-N	307.126	0.925	70	10	DCIE	
C[C@H](CS(=O)(=O)N1CC(CCS(=O)(=O)F)C1)C1CC1	2134981783	PAPISLKHQBNQOO-SECBINFHSA-N	313.416	0.984	70	10	DCIE	
C[C@@H]1CC[C@@H](CC(=O)NC2CCN(S(=O)(=O)F)CC2)O1	2169021227	MBYBKGHTPMXSSK-KOLCDFICSA-N	308.375	0.739	70	10	DCIE	
CN([C@@H]1CCN(c2ncc([B-](F)(F)F)cn2)C1)S(C)(=O)=O	2172786052	PCDYUFCKRSGXCY-SECBINFHSA-N	323.129	0.001	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1C[C@H]1COCCO1	2182344634	RQLXTCQXPPLMGA-VIFPVBQESA-N	324.786	0.763	70	10	DCIE	
COCCn1c(C23CC(C2)[C@H](C)O3)nnc1S(=O)(=O)Cl	2193084103	WWXDEEOVEVATGC-JYPKXMCJSA-N	321.786	0.876	70	10	DCIE	
COC[C@@H](CC(C)C)C(=O)NCC1CN(S(=O)(=O)F)C1	2193447768	WQTREEXLURZLDI-LLVKDONJSA-N	310.391	0.557	70	10	DCIE	
COCCS(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	159372843	WCCDYFYBOQPHIY-SNVBAGLBSA-N	302.400	0.282	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc(F)cc2N)CCOC1	159904482	GSJKKBPVDAQQEV-GFCCVEGCSA-N	304.343	0.492	70	10	DCIE	
COCCN1CCN(C(=O)c2cnc3c(c2)ncn3C)C[C@H]1C	160543122	MUGUKVIMAZVCMD-GFCCVEGCSA-N	317.393	0.761	70	10	DCIE	
CC[C@H](O)CCNC(=O)NC1CCN(c2ncccn2)CC1	160931743	WLXNWOOGJKHQDF-ZDUSSCGKSA-N	307.398	0.906	70	10	DCIE	
COC(=O)c1[nH]c(C)c(C(=O)N2CCO[C@H](CN(C)C)C2)c1C	160971842	WGBUSXSCJWTIMB-GFCCVEGCSA-N	323.393	0.821	70	10	DCIE	
Nc1c(C(=O)NCCNC(=O)C2CC2)sc2nnccc12	161004092	VPHQRNXPANKJBP-UHFFFAOYSA-N	305.363	0.530	70	10	DCIE	
O=C(NCc1nc(C2CC2)no1)c1cc(S(=O)(=O)F)c[nH]1	1265145323	GYWXENYVTZIRCH-UHFFFAOYSA-N	314.298	0.863	70	10	DCIE	
COC(=O)/C=C\[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1648137453	PQMKWHSCNDSVGK-KFOINNEUSA-N	304.299	0.520	70	10	DCIE	
COc1ccncc1C(=O)N1CCC[C@H](S(=O)(=O)F)C1	1927202303	MDGHUNCNTKFUCL-VIFPVBQESA-N	302.327	0.994	70	10	DCIE	
C[C@H]1COCC[C@@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394204	FKRGRUIUTZQTLK-ONGXEEELSA-N	308.375	0.454	70	10	DCIE	
C[C@H]1[C@@H](C)S(=O)(=O)CCN1CCCS(=O)(=O)Cl	2003945952	ADBJVHCIILTKGJ-DTWKUNHWSA-N	303.833	0.453	70	10	DCIE	
O=S(=O)(Cl)CCCCN1C[C@@H]2CS(=O)(=O)C[C@H]2C1	2027584093	CFPAETUOFHZSON-NXEZZACHSA-N	315.844	0.312	70	10	DCIE	
O=S1(=O)CC[C@@H]2CN(c3ncc(F)cc3[B-](F)(F)F)C[C@@H]21	2188590936	TWIHGSZOEBTVTF-XCBNKYQSSA-N	323.100	0.898	70	10	DCIE	
CC(=O)N[C@@H](C(=O)N1CC(CCS(=O)(=O)F)C1)C(C)C	2199687991	CNKMFTOCYOJYPW-LLVKDONJSA-N	308.375	0.295	70	10	DCIE	
COc1sccc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271494026	GXGIFEXBDPRSLI-SSDOTTSWSA-N	308.356	0.775	70	10	DCIE	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NC1CN(S(=O)(=O)F)C1	2284152329	WLZVMYKMAQKWTP-KXUCPTDWSA-N	307.391	0.262	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccc([N+](=O)[O-])o1	2287070691	VFSAUAOYEDOFQW-LURJTMIESA-N	307.259	0.206	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C1CC2(CC(F)C2)C1	2287690174	HQSDJWVMDOZVFX-LYZGGPHJSA-N	308.350	0.920	70	10	DCIE	
COCC1(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)CC(F)(F)C1	2295558341	UUSHFUHGMOSSHX-MRVPVSSYSA-N	315.313	0.949	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CC[C@@H]2[C@H]1C2(F)F	2359646732	BWODEWYCZXHGPQ-XAVMHZPKSA-N	312.313	0.683	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1[C@@H]1CCS(=O)(=O)C1	112141792	DQERYQMKXKEPTP-SSDOTTSWSA-N	312.800	0.733	70	10	DCIE	
COCCn1c([C@@H]2COCC2(C)C)nnc1S(=O)(=O)Cl	2361325078	ZFULYZYBCLPDRU-QMMMGPOBSA-N	323.802	0.992	70	10	DCIE	
CCOc1ccc(OCNC(=O)N2CCN(C=O)CC2)cc1	217307588	MUBKVOROZUUCRR-UHFFFAOYSA-N	307.350	0.905	70	10	DCIE	
CCCn1c([C@@H]2Cc3nncn3C2)nnc1S(=O)(=O)Cl	2167746275	LGJGIRXATRZGCU-SSDOTTSWSA-N	316.774	0.547	70	10	DCIE	
CS(=O)(=O)NCC[C@@H]1CCCCN1S(=O)(=O)Cl	958678746	GAPCQEMSJSCZBI-QMMMGPOBSA-N	304.821	0.264	70	10	DCIE	
O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1C[C@@H]2CCO[C@H]2C1	2115459338	KBXRLFGCXUBNFV-XVKPBYJWSA-N	304.755	0.803	70	10	DCIE	
Cc1nc(N(C)[C@H](C)CS(C)(=O)=O)ncc1[B-](F)(F)F	2116132350	NKINQSHJFHJTEF-SSDOTTSWSA-N	310.130	0.709	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCS(=O)(=O)CCO2)n1	2116130935	PBRDDWZXTLTBSO-UHFFFAOYSA-N	310.086	0.006	70	10	DCIE	
CC[C@H]1CN(C(=O)C(=O)Nc2nocc2C)CCN1CCOC	161240951	BVMXOMPASJFTIG-LBPRGKRZSA-N	324.381	0.491	70	10	DCIE	
CCC(CC)(CNC[C@H](O)CN1CCCC1=O)C(=O)OC	159651824	GCEFPYZZHCHGNR-LBPRGKRZSA-N	300.399	0.539	70	10	DCIE	
CCOC(=O)c1nnn([C@@H](C)C(=O)NC(N)=O)c1C(F)F	159588280	UUNOGGUUKCRVOU-BYPYZUCNSA-N	305.241	0.148	70	10	DCIE	
CO[C@@H]1C[C@H]1CNC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2131636922	AYWQVLJYOQHTGZ-NKWVEPMBSA-N	307.759	0.410	70	10	DCIE	
CC12COC(C(=O)NC3CCN(S(=O)(=O)F)CC3)(C1)C2	1974395059	UNPRAWYWDADTNL-UHFFFAOYSA-N	306.359	0.350	70	10	DCIE	
O=C(Cc1ccncc1)NC1CCN(S(=O)(=O)F)CC1	1974402371	MTTHLAUEMOYZKZ-UHFFFAOYSA-N	301.343	0.419	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N[C@@H]2CCC(=O)NC2)c1F	159523282	UBAWQWHUJUANTG-SECBINFHSA-N	301.343	0.273	70	10	DCIE	
COc1cc([C@@H](O)[C@@H]2CCS(=O)(=O)C2)cc2c1OCO2	160076318	CAJXWYSETHTTBJ-PELKAZGASA-N	300.332	0.892	70	10	DCIE	
O=S(=O)(Cl)c1nnc([C@@H]2CO[C@H]3COC[C@H]32)n1C1CC1	2158057384	OIVNWEMFZQTECF-YIZRAAEISA-N	319.770	0.669	70	10	DCIE	
CN(C[C@@H]1CO[C@@H]2COC[C@@H]21)c1ncncc1[B-](F)(F)F	2172772401	MZTJEPWWMWHWFX-FXPVBKGRSA-N	302.085	0.629	70	10	DCIE	
CCO[C@]1(C(=O)N2CC(CCS(=O)(=O)F)C2)CCOC1	2199698341	OLQHDFHFQFEYNV-GFCCVEGCSA-N	309.359	0.330	70	10	DCIE	
Cc1cccc(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)c1	2268773018	OVATXSQXCLSKGE-UHFFFAOYSA-N	308.356	0.172	70	10	DCIE	
COc1c(C(=O)NC2CN(S(=O)(=O)F)C2)csc1C	2271704884	ZCBPLTBTLDSCPQ-UHFFFAOYSA-N	308.356	0.693	70	10	DCIE	
C[C@@]12CC[C@@](C(=O)N[C@@H]3CCN(S(=O)(=O)F)C3)(CO1)C2	2287070322	TUKLZVSSRNWGKU-USWWRNFRSA-N	306.359	0.350	70	10	DCIE	
CCOCCNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	163296314	OACCRRYJCGNXEM-UHFFFAOYSA-N	311.356	0.660	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@H]1CNC(=O)C1	400252650	OORTYDOCWUJCEC-ZCFIWIBFSA-N	322.730	0.163	70	10	DCIE	
CC#CCN[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1317087606	NTVOYOIZBHUADC-MGCOHNPYSA-N	313.354	0.547	70	10	DCIE	
O=C(c1cncc(Cl)n1)N1CCN(S(=O)(=O)F)CC1	1974001710	ZFDUHSBNFRXHIW-UHFFFAOYSA-N	308.722	0.102	70	10	DCIE	
CCc1nc(C(=O)N2CCN(S(=O)(=O)F)CC2)cs1	1974014938	ODXCJUQUHXJHPT-UHFFFAOYSA-N	307.372	0.678	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2CCO[C@H]3C[C@H]32)c1	2171916344	DEIJTTVWAIPPMA-MNOVXSKESA-N	321.351	0.507	70	10	DCIE	
CS(=O)(=O)N[C@@H]1CCCN(c2ccc([B-](F)(F)F)cn2)C1	2172772482	OHQZHJDNUGVVCP-SNVBAGLBSA-N	322.141	0.654	70	10	DCIE	
C#CC[C@@H](Cn1cc(S(=O)(=O)Cl)c(O)nc1=O)C1CC1	2196827602	RZYBJGLGPHEFKZ-VIFPVBQESA-N	316.766	0.926	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cncc(Cl)c1	2271498507	RKFSGQBVBCKGNW-SECBINFHSA-N	307.734	0.753	70	10	DCIE	
COC[C@H]1CN(c2nc(OC)ccc2[B-](F)(F)F)CCO1	2280632393	UWSCXWNNAYQDQC-SECBINFHSA-N	305.085	0.996	70	10	DCIE	
COC1CC(CCC(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2287078379	HSNNPTFJJZOWJX-HSOILSAZSA-N	308.375	0.596	70	10	DCIE	
CS(=O)(=O)N1CCc2c(cccc2S(=O)(=O)Cl)C1	107863039	YQWNZJWIOFLZGT-UHFFFAOYSA-N	309.796	0.932	70	10	DCIE	
CCN(CC(=O)N(C)C)S(=O)(=O)c1cc(N)cc(C)c1F	159473352	BHQWPUOKEZLQGC-UHFFFAOYSA-N	317.386	0.815	70	10	DCIE	
O=C(NC[C@H](O)c1ccccc1)N[C@@H]1CCc2ncnn2C1	161055365	AVHBSOZNYWCMHI-OLZOCXBDSA-N	301.350	0.626	70	10	DCIE	
COCCCN(CCOC)C(=O)N[C@@H]1CCc2ncnn2C1	161083713	XNCAFQQUMPJPCI-GFCCVEGCSA-N	311.386	0.287	70	10	DCIE	
O=C(N[C@@H]1CCc2nc[nH]c2C1)c1cc(S(=O)(=O)F)c[nH]1	1263791339	QDNOYEMPYQTUBY-SSDOTTSWSA-N	312.326	0.683	70	10	DCIE	
C[C@H](CNCC1CC1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1716411987	HDABTTXNZNNJRJ-MRVPVSSYSA-N	303.359	0.791	70	10	DCIE	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC(S(=O)(=O)F)C1	1897481035	IRYNQYULDJFVEG-QMMMGPOBSA-N	324.374	0.657	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@@H]3CCC[C@H]32)[nH]1	1923166743	DGLWGRZSXBBTST-DJLDLDEBSA-N	301.343	0.875	70	10	DCIE	
CO[C@H]1COC[C@H]1n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	2090561834	AZIROEQOHUIRRW-RITPCOANSA-N	311.703	0.305	70	10	DCIE	
CN1CCO[C@H]2CN(c3ncc([B-](F)(F)F)cc3F)C[C@@H]21	2172796953	YPLNRDFSMRQTQP-QWRGUYRKSA-N	304.076	0.794	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1[C@@H](C)C(=O)N1CCC1	2182343974	MPQRPVLRSCRBCM-QMMMGPOBSA-N	321.786	0.750	70	10	DCIE	
Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)cc1S(N)(=O)=O	160530908	DYZANKNGOPTFHB-BETUJISGSA-N	323.418	0.609	70	10	DCIE	
C#CCN[C@@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1567230168	CFLUPEROJASVEK-VIFPVBQESA-N	301.343	0.404	70	10	DCIE	
NC(=O)[C@H]1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C1	1583685195	WAOXLTVIQDZZOY-VHSXEESVSA-N	314.338	0.729	70	10	DCIE	
C[C@H](CC(=O)N1CCN(S(=O)(=O)F)CC1)P(C)(C)=O	1886565348	OXWFKBLWKWROBT-SECBINFHSA-N	314.319	0.746	70	10	DCIE	
O=[N+]([O-])c1cccc(S(=O)(=O)CCS(=O)(=O)Cl)n1	1925585164	XHVCJFRNKBEAJR-UHFFFAOYSA-N	314.728	0.332	70	10	DCIE	
CC1(C)[C@H]2C[C@H](C(=O)NCC3CN(S(=O)(=O)F)C3)C[C@H]21	2164432203	VCGXAWFQWSOASR-RTCCRHLQSA-N	304.387	0.931	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@H]2C(C)(F)F)[nH]1	2164439457	WPEOJYSNEAMTAX-PHDIDXHHSA-N	311.285	0.730	70	10	DCIE	
CS(=O)(=O)C[C@H]1CCCN(c2ncc([B-](F)(F)F)cn2)C1	2172771722	DFKSVOONEJLSOH-VIFPVBQESA-N	322.141	0.792	70	10	DCIE	
COc1nc(N(C)C[C@@H]2[C@@H]3COC[C@@H]32)ncc1[B-](F)(F)F	2174653643	NLKHJXAXMUBCRB-AYMMMOKOSA-N	302.085	0.868	70	10	DCIE	
COc1cccc(C(=O)NC2CN(S(=O)(=O)F)C2)c1C	2284152084	WNXFMNJPEPSXRN-UHFFFAOYSA-N	302.327	0.632	70	10	DCIE	
CCCNc1nnc(Cn2cc(Cl)c(=O)[nH]c2=O)s1	159535384	OCRPXRSWYKEZRH-UHFFFAOYSA-N	301.759	0.912	70	10	DCIE	
COC(=O)Cn1ncc(N2C[C@@H](C)NC[C@H]2C)c(Cl)c1=O	159568913	DUUCMRIODDCDIE-RKDXNWHRSA-N	314.773	0.256	70	10	DCIE	
CN(C)CCn1ncc(N2C[C@@H]3CNC[C@@H]3C2)c(Cl)c1=O	159724546	HJOIGMPOAPLTAY-PHIMTYICSA-N	311.817	0.114	70	10	DCIE	
CC[C@@H](CO)N1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1	159981924	DDAFUKMBERSLSY-ZDUSSCGKSA-N	317.393	0.497	70	10	DCIE	
CC(C)c1nc2n(n1)C[C@H](NC(=O)N(CCO)C1CC1)CC2	161387251	JNCDTEBSRGRXDX-LLVKDONJSA-N	307.398	0.883	70	10	DCIE	
CSC[C@](C)(O)CNC(=O)[C@H]1CC(=O)N(CC2CC2)C1	217697220	AFBZCISYDQJUMI-SMDDNHRTSA-N	300.424	0.475	70	10	DCIE	
O=C1NCCC[C@@H]1n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	691842160	OGBNJGINNIHQED-YFKPBYRVSA-N	308.703	0.170	70	10	DCIE	
O=C(CCn1cccn1)NC1CCN(S(=O)(=O)F)CC1	1974401770	GFUHBKDTDASZKA-UHFFFAOYSA-N	304.347	0.068	70	10	DCIE	
CCn1c([C@]23COC[C@@H]2C3(F)F)nnc1S(=O)(=O)Cl	2105598524	NGOCILVYLOZHEF-XNCJUZBTSA-N	313.713	0.759	70	10	DCIE	
O=C(N[C@@H]1[C@H]2CCCO[C@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2120039987	PNIXALXVUMRZBK-SZEHBUNVSA-N	304.755	0.849	70	10	DCIE	
CC12CC(C(=O)NCC3CN(S(=O)(=O)F)C3)(CCO1)C2	2164986212	YNPKFYJALYREBE-UHFFFAOYSA-N	306.359	0.208	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2CC3(CC3)CO2)[nH]1	2166462963	ILQUMOZYDLFRDX-SSDOTTSWSA-N	303.315	0.008	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(OCCN2CCOCC2)n1	2175874637	OKXGVWJVXDZOQH-UHFFFAOYSA-N	304.101	0.859	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1CC1[C@H]2COC[C@H]12	2188905233	RYEHZQFKLWKADE-HTQZYQBOSA-N	321.742	0.920	70	10	DCIE	
CC(C)(C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)C(F)(F)F	2271487263	GPURVWBVUZDWQA-ZCFIWIBFSA-N	306.281	0.980	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@@H](C)C(=O)O	2339815325	INNTWHHIOKVJRI-SCSAIBSYSA-N	311.703	0.748	70	10	DCIE	
CNc1ncc(Cl)c(N2CCOC[C@H]2C(=O)NC(C)C)n1	160582438	YFIRZIWPBYWGGW-JTQLQIEISA-N	313.789	0.902	70	10	DCIE	
CCOC(=O)CCCN1CCC[C@@H](C(=O)N2CCOCC2)C1	160963691	HBEFQLGHCKNAPK-CQSZACIVSA-N	312.410	0.901	70	10	DCIE	
O=C(NCCN1C(=O)c2ccccc2C1=O)NC1=NCCS1	217282314	UACMDDKZOUTHPE-UHFFFAOYSA-N	318.358	0.685	70	10	DCIE	
CSC[C@](C)(O)CNC(=O)CCNC(=O)c1ccoc1	217620963	UIFSWEBFVOYKGL-CYBMUJFWSA-N	300.380	0.630	70	10	DCIE	
Cn1cc(S(=O)(=O)Nc2ccccc2S(=O)(=O)F)cn1	228314781	DRIJEZBOGPZRHM-UHFFFAOYSA-N	319.339	0.879	70	10	DCIE	
O=S(=O)(Cl)c1ccc(OCc2nn[nH]n2)c(F)c1F	394012438	BUGQWXMWVXXKNM-UHFFFAOYSA-N	310.669	0.984	70	10	DCIE	
C[C@@H](O)CNCCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1268852528	QFZHTEFTNPRJEC-SECBINFHSA-N	321.374	0.105	70	10	DCIE	
C[C@]1(c2nnc(S(=O)(=O)Cl)n2C2CC2)COCCO1	1908588374	VXRFKNURYMIBMG-SNVBAGLBSA-N	307.759	0.803	70	10	DCIE	
CC[C@@H]1OCC[C@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394711	NYJPVXQFUQTHCT-MNOVXSKESA-N	308.375	0.596	70	10	DCIE	
COc1nc(N2CC[S@](=O)C[C@@H]2C)ncc1[B-](F)(F)F	2116128070	CTEARJPMCGLLTD-JKNYTWMOSA-N	308.114	0.497	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H](F)C(F)(F)F)[nH]1	2123140858	CWAKMQMBTAMDED-SCSAIBSYSA-N	307.200	0.339	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CNC(=O)C1	2125939958	AGQMNSIDMXPVRZ-ZETCQYMHSA-N	307.759	0.093	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1CC1CN(C)C1	2134824134	UGOHRQMFMKTYMZ-UHFFFAOYSA-N	308.747	0.589	70	10	DCIE	
O=C([C@H]1CN2CCC1CC2)N1CCC[C@@H](S(=O)(=O)F)C1	2150808530	QOCLLAILXSGRCM-NEPJUHHUSA-N	304.387	0.619	70	10	DCIE	
CCCn1c(-c2cccn(C)c2=O)nnc1S(=O)(=O)Cl	2236088889	NFAAEAYAAMHOAB-UHFFFAOYSA-N	316.770	0.981	70	10	DCIE	
C[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CCS1	2271487657	AXWQWGUIDCZCQS-OPRDCNLKSA-N	310.416	0.923	70	10	DCIE	
COC1(C(=O)N2CCN(S(=O)(=O)F)CC2)CC(CF)C1	2281085883	VSSKHTHCFGMRQX-UHFFFAOYSA-N	312.338	0.110	70	10	DCIE	
Cc1nc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)ncc1[B-](F)(F)F	2336398313	VGOJXIHZOFXQSS-VXNVDRBHSA-N	306.098	0.073	70	10	DCIE	
CNS(=O)(=O)c1ccc(NCCc2nccn2C)cc1N	159610371	IMDNOXJJTBRRFK-UHFFFAOYSA-N	309.395	0.565	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)[C@H](N)c1cccs1	159619203	YRNNAVSQLKZNBF-CMPLNLGQSA-N	311.407	0.502	70	10	DCIE	
CC[C@H](CCO)CNc1ccc(S(=O)(=O)NC)c(N)c1	159652441	WXEMRYDRLQYUSZ-SNVBAGLBSA-N	301.412	0.997	70	10	DCIE	
CC(C)CN(CC(N)=O)C(=O)Cn1ccc(=O)c2ccccc21	159682534	COOCTSKKFCGMDF-UHFFFAOYSA-N	315.373	0.971	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1c1cc(C(N)=S)ccn1	159803470	VMMVRQCFTBYZNP-NSHDSACASA-N	308.407	0.447	70	10	DCIE	
CN1C[C@H](NS(=O)(=O)c2cc(F)ccc2F)CCC1=O	160051919	KHUCQRPQKATIGV-SECBINFHSA-N	304.318	0.864	70	10	DCIE	
COc1ccc(C(=O)NC[C@@H](O)Cn2ccccc2=O)cn1	218448495	HOSRBEJGKORGKH-GFCCVEGCSA-N	303.318	0.043	70	10	DCIE	
C#CCCCC(=O)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1178772970	PDNGVUKBGRTCLT-UHFFFAOYSA-N	301.299	0.237	70	10	DCIE	
COCCN[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1266713338	XIICERLDHFITSE-DTORHVGOSA-N	319.358	0.170	70	10	DCIE	
C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H](C)C1O	1348817284	KJENPFYMEMUECF-HTQZYQBOSA-N	304.343	0.762	70	10	DCIE	
COC[C@H](C)NCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1493700924	YTEYBXCTBZRSJL-VIFPVBQESA-N	321.374	0.369	70	10	DCIE	
O=C(c1snnc1C1CC1)N1CCN(S(=O)(=O)F)CC1	1974001130	NPOWTWTXEGUVOM-UHFFFAOYSA-N	320.371	0.388	70	10	DCIE	
O=C(CCOCC(F)F)N1CCN(S(=O)(=O)F)CC1	1974014229	GPRIYNRZOGPGHU-UHFFFAOYSA-N	304.290	0.017	70	10	DCIE	
CN1CCN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)[C@H]2C[C@H]21	2112074778	LEZXKJPRBSHGIH-ZJUUUORDSA-N	303.771	0.471	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)[C@H](C)CS(C)(=O)=O)n1	2116132676	SNEGBNZMCWYHNA-SSDOTTSWSA-N	310.130	0.709	70	10	DCIE	
O=C(N1CC[C@@H](S(=O)(=O)F)C1)C(F)(F)[C@H]1CCOC1	2128779926	BXLMLKLIGPSMCW-JGVFFNPUSA-N	301.286	0.558	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)CC2CCOCC2)n1	2170300979	ZFQWRLWGHOBAEL-UHFFFAOYSA-N	305.331	0.834	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)n1	2172767498	VHAWSTDOAIBPCI-PSASIEDQSA-N	320.125	0.463	70	10	DCIE	
Cc1nc(N(C)C2CC(S(C)(=O)=O)C2)ncc1[B-](F)(F)F	2172769375	WYVYHDZNJFPWGM-UHFFFAOYSA-N	322.141	0.851	70	10	DCIE	
CCS(=O)(=O)NC1CN(c2ncc([B-](F)(F)F)cc2C)C1	2172777074	XRJQDZOXJKBUAF-UHFFFAOYSA-N	322.141	0.572	70	10	DCIE	
C[C@]1(C(=O)Nc2ccc(S(=O)(=O)F)nc2)COCCO1	2199240714	CNRYPXIMUMMLEX-LLVKDONJSA-N	304.299	0.484	70	10	DCIE	
CC[C@@H](CC(F)(F)F)C(=O)NC1CN(S(=O)(=O)F)C1	2268809167	KPJBPFSDEWJCJG-LURJTMIESA-N	306.281	0.980	70	10	DCIE	
CC1(CS(=O)(=O)N2CCC(S(=O)(=O)F)CC2)COC1	2271588056	YCMAFDDXJNAHLQ-UHFFFAOYSA-N	315.388	0.116	70	10	DCIE	
Cc1[nH]nc(C(=O)OC[C@@H]2CCOC2)c1S(=O)(=O)Cl	115022403	SOIQGLLIGCQULW-SSDOTTSWSA-N	308.743	0.839	70	10	DCIE	
COCCCOC1CN(C(=O)c2cccc3[nH]c(=O)oc23)C1	160318759	FBKPKOWFGRSIPH-UHFFFAOYSA-N	306.318	0.999	70	10	DCIE	
CC(C)(C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)S(C)(=O)=O	160433519	BXHDPULTPRGQPB-RISCZKNCSA-N	303.424	0.963	70	10	DCIE	
COc1ccccc1C(=O)NC[C@H](O)Cn1ccccc1=O	218406010	XXTXUZNYIMIGSD-LBPRGKRZSA-N	302.330	0.648	70	10	DCIE	
COCCN(C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1275659262	QFGUJECLVLXWDV-VIFPVBQESA-N	321.374	0.369	70	10	DCIE	
COCCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)F	1954656091	LUZMAKBWAWXPKN-UHFFFAOYSA-N	312.363	0.768	70	10	DCIE	
Cc1nn(C)c(C(=O)N2CCN(S(=O)(=O)F)CC2)c1Cl	1974001716	ZJXSWRFZYSGBJU-UHFFFAOYSA-N	324.765	0.354	70	10	DCIE	
Cc1cc(C(=O)N2CCN(S(=O)(=O)F)CC2)nc(C)n1	1974015309	SDTLDQAFFVPJTJ-UHFFFAOYSA-N	302.331	0.066	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCS(=O)(=O)C[C@H]2C)n1	2116130861	OBQDZWZFHIFIAR-SSDOTTSWSA-N	308.114	0.463	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1[C@@H](CC)C(N)=O	2125953584	LBQWHTBHNKLRCC-ZETCQYMHSA-N	309.775	0.784	70	10	DCIE	
CCn1cc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)nc1O	2144731981	AHAZGAYCWIVRTI-MRVPVSSYSA-N	305.331	0.513	70	10	DCIE	
CCc1ocnc1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2160380179	BDMQWVCXJOTXTE-UHFFFAOYSA-N	302.287	0.303	70	10	DCIE	
CC(C)(C)c1ocnc1C(=O)NC1CN(S(=O)(=O)F)C1	2284151665	SUMWTTVIJRSTQG-UHFFFAOYSA-N	305.331	0.600	70	10	DCIE	
CCS(=O)(=O)CCn1nc(C)c(S(=O)(=O)Cl)c1C	114248033	QSYZPMILPRBHNC-UHFFFAOYSA-N	314.816	0.862	70	10	DCIE	
C[S@](=O)CCNC(=O)c1csc(S(=O)(=O)Cl)c1	135261839	MZDRATGBVBBGBU-MRXNPFEDSA-N	315.825	0.784	70	10	DCIE	
CCCn1ncc(N(C)CCN2CCNCC2)c(Cl)c1=O	159373162	XKLJUQXFDYXJQD-UHFFFAOYSA-N	313.833	0.648	70	10	DCIE	
CNC[C@H]1CCCN1c1cnn(CC(=O)OC)c(=O)c1Cl	159957123	XIHWZEHFFAPYLX-SECBINFHSA-N	314.773	0.258	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)C(=O)N[C@H](C)CC	160357645	ZEVUDQNHSJKPEQ-RKDXNWHRSA-N	324.381	0.903	70	10	DCIE	
O=C1CC[C@@H]2CN(c3nc4sccn4c3CO)CC[C@@H]2N1	160458539	CTRJQHHHOHQCEP-ZJUUUORDSA-N	306.391	0.993	70	10	DCIE	
CC(C)N1CC[C@@H](NC(=O)c2cnc3c(c2)ncn3C)C1=O	160517389	BGADZDZTGNRAEW-LLVKDONJSA-N	301.350	0.707	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc([C@@H](C)N)cc2)CCOC1	160661877	QOUQDIWRGTZVCB-BXUZGUMPSA-N	314.407	0.790	70	10	DCIE	
C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCN(CCO)CC1	161449711	LVIJJZDWFGRGEQ-CYBMUJFWSA-N	308.378	0.083	70	10	DCIE	
CC[C@@H]1CC[C@H](CN)[C@@H](N2CCN(S(C)(=O)=O)CC2)C1	217960014	CQAXLFPILZZJQS-MCIONIFRSA-N	303.472	0.717	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1Cc1nnnn1C(C)C	698609771	YJHHUDBXKJEUNJ-UHFFFAOYSA-N	304.763	0.735	70	10	DCIE	
COC[C@@]1(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)CCCO1	1968234835	GDKQGJVRRHGWQG-ZYHUDNBSSA-N	309.359	0.472	70	10	DCIE	
Fc1cnc(N2CC(N3CCOCC3)C2)c([B-](F)(F)F)c1	2188596335	ONYPVYNXTRAQCA-UHFFFAOYSA-N	304.076	0.796	70	10	DCIE	
Cc1oc2ncn(C)c(=O)c2c1C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159537637	MEPAEEQDKKFHJN-PHIMTYICSA-N	316.361	0.801	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1ccc(C(N)=S)cc1F	159791766	XFIUWMLTZWJLGB-LBPRGKRZSA-N	311.382	0.801	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc(C)c(N)c2)CCOC1	159916200	YDPRAFILKIOYKH-CYBMUJFWSA-N	300.380	0.661	70	10	DCIE	
C[C@@H](O)c1ccc(S(=O)(=O)NCC(=O)NC(C)(C)C)cc1	159946654	RZYZSRRGTBCVFX-SNVBAGLBSA-N	314.407	0.933	70	10	DCIE	
COCCn1ncc(N2C[C@H](CN)C[C@@H]2C)c(Cl)c1=O	159983984	DKYGLZGPENDXNS-UWVGGRQHSA-N	300.790	0.717	70	10	DCIE	
CC(C)CCn1cc(C(=O)NC[C@H](O)CN2CCCCC2)nn1	160262364	BDROHXZGLWVBAC-AWEZNQCLSA-N	323.441	0.901	70	10	DCIE	
COc1c(Cl)ncnc1N1CCOC[C@@H]1C(=O)NC1CC1	160278906	UMNPSGDEFMWSGG-SECBINFHSA-N	312.757	0.622	70	10	DCIE	
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](CC(=O)NCCO)C1	160788688	NOSJTXZWGNSWHM-WDEREUQCSA-N	302.371	0.103	70	10	DCIE	
Cn1nccc1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O	161261018	LOAAWZGHPWVJIX-UHFFFAOYSA-N	319.365	0.639	70	10	DCIE	
C[C@@H](CNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)N(C)C	163311887	RMOXGUZYJLOBDS-VIFPVBQESA-N	324.399	0.573	70	10	DCIE	
COC(=O)[C@@H](O)CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC	217826824	FHNHNQLIBOLPHC-ZJUUUORDSA-N	319.354	0.757	70	10	DCIE	
CO[C@H]1CC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	724418625	GTZIBBDJABCGQO-WPRPVWTQSA-N	306.771	0.860	70	10	DCIE	
C[C@@]1(c2cccnc2)NC(=O)N(CCS(=O)(=O)F)C1=O	883953085	HDXXZJNFRXMWGW-NSHDSACASA-N	301.299	0.148	70	10	DCIE	
O=C(NCC[C@@H](O)C(F)(F)F)c1cc(S(=O)(=O)F)c[nH]1	1139313100	YGEKOBSLLVZHNE-SSDOTTSWSA-N	318.248	0.716	70	10	DCIE	
COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cccc(S(=O)(=O)F)c1	1338819916	QNYMTIYDKMRYBW-MWLCHTKSSA-N	315.322	0.884	70	10	DCIE	
CC(C)c1nnc(S(=O)(=O)CCS(=O)(=O)Cl)o1	1945079117	HSQXENGYBZUZPN-UHFFFAOYSA-N	302.761	0.535	70	10	DCIE	
O=C(N1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)Cl)C(F)(F)F	1953573098	HHJKFIDPLNRFQB-OLQVQODUSA-N	306.693	0.708	70	10	DCIE	
CC(C)(C)OC(=O)NC[C@]12CN(S(=O)(=O)F)C[C@H]1CCO2	1957337315	VAXXGTQQEFVGGF-SKDRFNHKSA-N	324.374	0.816	70	10	DCIE	
Cc1n[nH]cc1S(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2088472948	VYEVNRGJWGXCJP-QMMMGPOBSA-N	311.360	0.171	70	10	DCIE	
O=C(Cn1cc(S(=O)(=O)Cl)nc1C1CC1)N1CCC1	2089713610	KRBZOWSAVCAURJ-UHFFFAOYSA-N	303.771	0.920	70	10	DCIE	
CO[C@@H]1CN(C(=O)c2cc(S(=O)(=O)Cl)cn2C)C[C@@H]1F	2146485922	ZHDGPFDSPWECNX-WCBMZHEXSA-N	324.761	0.762	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@]1(OC)CCOC1	2182345372	XROJTZBSJZXYEH-NSHDSACASA-N	324.786	0.763	70	10	DCIE	
NC(=S)CS(=O)(=O)NCCc1cccc2cccnc12	159384539	JRGYPEYWKMWHFY-UHFFFAOYSA-N	309.416	0.983	70	10	DCIE	
CC(C)OC(=O)CCCNC(=O)N[C@H]1CCc2ncnn2C1	159712054	PCTAUAFWELAJSQ-NSHDSACASA-N	309.370	0.624	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)C(C)(C)C(N)=S	159778425	BOJUMLKVAVXPIP-VIFPVBQESA-N	301.412	0.052	70	10	DCIE	
CNC[C@@H]1CN(c2cnn(CC(C)C)c(=O)c2Cl)CCO1	159847945	WMEWYTQYWWRFES-LLVKDONJSA-N	314.817	0.977	70	10	DCIE	
CNc1ccncc1S(=O)(=O)NCCCCOCCOC	160013167	QZAXBCFPAIKMIN-UHFFFAOYSA-N	317.411	0.845	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CCN1CCN(C)CC1	215736097	CGAZBQOEVZIEAS-UHFFFAOYSA-N	320.846	0.620	70	10	DCIE	
O=C(NCCCNC(=O)C(F)(F)F)c1cc(O)cc(O)c1	216853065	JARJWVFMHVNPGD-UHFFFAOYSA-N	306.240	0.896	70	10	DCIE	
Cc1noc(CNS(=O)(=O)c2ccc(CN)c(Cl)c2)n1	218762925	HLDPHGRFHAJBPP-UHFFFAOYSA-N	316.770	0.969	70	10	DCIE	
COCCn1c(C2CCN(C)CC2)nnc1S(=O)(=O)Cl	691877412	AKKAYIMHUGPEOM-UHFFFAOYSA-N	322.818	0.661	70	10	DCIE	
C#C[C@@H]1COCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1	1349717316	HNIFPUWOTFPFQX-GFCCVEGCSA-N	311.334	0.748	70	10	DCIE	
NC(=O)C12CCC(CC1)N2C(=O)c1cc(S(=O)(=O)F)c[nH]1	1439796010	NACCORBQCBMRPV-UHFFFAOYSA-N	315.326	0.295	70	10	DCIE	
CN(C)c1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)ncn1	1530667865	UQAXTVIMKATNCW-UHFFFAOYSA-N	313.314	0.781	70	10	DCIE	
C[C@](F)(C(=O)N1CCN(S(=O)(=O)F)CC1)C(F)(F)F	1876587145	KOMXNGHVJJZOAJ-ZETCQYMHSA-N	310.244	0.635	70	10	DCIE	
Cc1[nH]nc(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)c1C	1923155471	BZRMLMNSGOFDHY-UHFFFAOYSA-N	301.303	0.092	70	10	DCIE	
CO[C@@H]1CC[C@@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)C1	1974394769	OYXOUJWKVRJPCY-MWLCHTKSSA-N	308.375	0.596	70	10	DCIE	
Cc1nn(C)cc1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974395275	YDCQHPHHSWTMDK-UHFFFAOYSA-N	304.347	0.137	70	10	DCIE	
O=S(=O)(Cl)CCOCCOC[C@@H]1COCCCO1	2036482187	GJJLOKQNIAHSOS-JTQLQIEISA-N	302.776	0.394	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)[C@@H]2CCCC[C@H]2F)C1	2078989838	BETDIVNQAOZDNC-RKDXNWHRSA-N	303.352	0.580	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)c2ccns2)C1	2079008141	FGTKFFXJXUHTPC-UHFFFAOYSA-N	314.385	0.453	70	10	DCIE	
O=C1C[C@]2(CCCOC23CCOCC3)N1S(=O)(=O)Cl	2098887936	PBNBIHXIFRFYJU-JTQLQIEISA-N	309.771	0.801	70	10	DCIE	
CCn1ncc(-c2nnc(S(=O)(=O)Cl)n2C2CC2)n1	2115802885	NGUNRZZMFWATHK-UHFFFAOYSA-N	302.747	0.819	70	10	DCIE	
Cc1nc(N2CC(CS(C)(=O)=O)C2)ccc1[B-](F)(F)F	2116138314	KPPNWZUAVRFINN-UHFFFAOYSA-N	307.126	0.925	70	10	DCIE	
Cc1nn(C)c(C)c1C=CC(=O)N1CC(S(=O)(=O)F)C1	2199691145	XNTOZWLUXNHNHT-UHFFFAOYSA-N	301.343	0.560	70	10	DCIE	
O=C(Cc1ccccc1F)NC[C@H](O)Cn1ccccc1=O	218433809	OMPVKBXBKXPONV-ZDUSSCGKSA-N	304.321	0.707	70	10	DCIE	
C[C@H]1CS(=O)(=O)CCN1c1ncc([B-](F)(F)F)cc1F	2116157975	NDVKIDNRRCXZLB-ZETCQYMHSA-N	311.089	0.898	70	10	DCIE	
CN(CCO)CCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1717211978	KBOQQIUIUFPIDB-UHFFFAOYSA-N	321.374	0.059	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CCN(C)C1	2125941746	HBLFWFAPBOMYPB-SECBINFHSA-N	307.803	0.909	70	10	DCIE	
Cc1ccc(N)c(S(=O)(=O)NCCNC(=O)N(C)C)c1C	160687874	POSQWJBVHUKVIL-UHFFFAOYSA-N	314.411	0.435	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1	160796022	PATHHHTUOMFQGP-GFCCVEGCSA-N	318.377	0.957	70	10	DCIE	
CNc1ccccc1S(=O)(=O)NC[C@@]1(OC)CCOC1	161204511	LGSAIKWCYYUAJJ-ZDUSSCGKSA-N	300.380	0.812	70	10	DCIE	
CCCc1nc(S(=O)(=O)CCS(=O)(=O)Cl)ns1	1999735868	HVFCCKXJONRBBJ-UHFFFAOYSA-N	318.829	0.833	70	10	DCIE	
CS(=O)(=O)CC1CC(OCCCS(=O)(=O)Cl)C1	2026338906	TWHBFQWLKWZZND-UHFFFAOYSA-N	304.817	0.785	70	10	DCIE	
CN(C[C@@H]1C[C@@H]2OCC[C@@H]2O1)c1ncc([B-](F)(F)F)cn1	2172773807	GVGUDTAYOSCIBW-DCAQKATOSA-N	302.085	0.914	70	10	DCIE	
CN1CCN(C(=O)c2cc(S(=O)(=O)Cl)cn2C)[C@H]2C[C@H]21	2168374677	YDAOHTZFMWTTHV-ZJUUUORDSA-N	317.798	0.481	70	10	DCIE	
O=S(=O)(F)N1CCN(S(=O)(=O)c2ccsc2)CC1	2045268805	XKTXBAMFOZJDMH-UHFFFAOYSA-N	314.385	0.269	70	10	DCIE	
CC(C)n1c(CCn2ccnn2)nnc1S(=O)(=O)Cl	2090394898	XSIDOWIUSSLPIN-UHFFFAOYSA-N	304.763	0.621	70	10	DCIE	
C[C@@H]1C[C@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CCS1	2271487655	AXWQWGUIDCZCQS-BBBLOLIVSA-N	310.416	0.923	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccc(Cl)nn1	2271500114	JOESUNGDPWABEN-ZCFIWIBFSA-N	308.722	0.148	70	10	DCIE	
C[C@@H](NS(=O)(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(N)cc1	159475462	JOQSDAOIZMCHDX-SKDRFNHKSA-N	318.420	0.436	70	10	DCIE	
O=C(CCCNC(=O)c1cccnc1)NC[C@H]1CCC[C@@H]1O	159940757	IWNPAPYAHUSOLX-OCCSQVGLSA-N	305.378	0.869	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1c1nc(NC)ncc1Cl	160565344	RZPYPUBPXZJROH-SNVBAGLBSA-N	313.789	0.903	70	10	DCIE	
CCOC(=O)C1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	161237877	GBYPSKDVEOEUPK-LBPRGKRZSA-N	321.381	0.578	70	10	DCIE	
O=S(=O)(Nc1ccc(F)c(F)c1)c1cnn(CCO)c1	218120655	LYKRGAJLMWHXPX-UHFFFAOYSA-N	303.290	0.954	70	10	DCIE	
O=C1CN(C(=O)c2cccc(S(=O)(=O)Cl)c2)CCN1	585671587	YQVUFJCXMDLUOC-UHFFFAOYSA-N	302.739	0.186	70	10	DCIE	
COC(=O)c1ccc(-c2nnn(CCS(=O)(=O)F)n2)cc1	883953048	FUEITGMEXPFCOW-UHFFFAOYSA-N	314.298	0.426	70	10	DCIE	
O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1cc(S(=O)(=O)F)c[nH]1	1155500339	KJJXRRHJSVAZHP-BDAKNGLRSA-N	320.342	0.333	70	10	DCIE	
CC(=O)NC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(C)C	1500702063	UPPUZDNPTURVIJ-LLVKDONJSA-N	319.358	0.563	70	10	DCIE	
CCOCCCS(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2028502976	FCUUIWLDEGOBCZ-VIFPVBQESA-N	303.377	0.116	70	10	DCIE	
O=S(=O)(Cl)c1nnc(C2COCCOC2)n1C1CC1	2138824922	VQHCKLVROOPAEI-UHFFFAOYSA-N	307.759	0.671	70	10	DCIE	
N#Cc1ccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)cc1	2144734011	WHLHAXOITDDWLK-NSHDSACASA-N	318.351	0.621	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C[C@H]2C(C)(F)F)[nH]1	2164439456	WPEOJYSNEAMTAX-NTSWFWBYSA-N	311.285	0.730	70	10	DCIE	
COc1nc(N(C)[C@H]2COC[C@H]2OC)ncc1[B-](F)(F)F	2177286284	YPQYCUWERUOYHF-DTWKUNHWSA-N	306.073	0.390	70	10	DCIE	
O=C1C[C@H](COc2ccc([N+](=O)[O-])cc2S(=O)(=O)F)N1	2191432695	YITFYEZHQZXCLS-ZCFIWIBFSA-N	304.255	0.520	70	10	DCIE	
COCCN(c1nc(C)nc(C)c1[B-](F)(F)F)C1COC1	2193694195	IQECTQQSEKRHCU-UHFFFAOYSA-N	304.101	0.999	70	10	DCIE	
COc1ncccc1C(=O)N1CC(CCS(=O)(=O)F)C1	2199691609	CAWFMCXFULCFHR-UHFFFAOYSA-N	302.327	0.852	70	10	DCIE	
C[C@H]1CC[C@@H](S(C)(=O)=O)CN1c1ncncc1[B-](F)(F)F	2279413641	HANBLYRVGWRZJZ-DTWKUNHWSA-N	322.141	0.933	70	10	DCIE	
Cc1ncnc(O[C@H]2CCN(S(C)(=O)=O)C2)c1[B-](F)(F)F	2285597818	AJGCGNTWXDPVJN-QMMMGPOBSA-N	324.113	0.252	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C1CC2(CC(F)C2)C1	2287690175	HQSDJWVMDOZVFX-YZHSWQFHSA-N	308.350	0.920	70	10	DCIE	
CCNC(=O)NC(=O)[C@@H](C)n1cc(S(=O)(=O)Cl)cn1	215732340	GZCCPTBUWPSMGI-ZCFIWIBFSA-N	308.747	0.217	70	10	DCIE	
COc1ccccc1CCNC(=O)N1CCN(CCO)CC1	217336505	BYDUPVRCXJWPBC-UHFFFAOYSA-N	307.394	0.557	70	10	DCIE	
O=C(CN1C(=O)CCC1=O)NC[C@@H]1CCCN1c1ccccc1	217810525	JPTVHHVUSWAKHX-AWEZNQCLSA-N	315.373	0.921	70	10	DCIE	
Cn1ncnc1Cn1cc(S(=O)(=O)Cl)nc1C1CC1	704278757	GPZBQDHDXWENHI-UHFFFAOYSA-N	301.759	0.865	70	10	DCIE	
O=S(=O)(OCc1ncnc2c1OCCO2)C(F)(F)F	1891676205	FQDPCOPTOQIJEM-UHFFFAOYSA-N	300.214	0.614	70	10	DCIE	
CC(C)n1c([C@@H]2CN(C)CCO2)nnc1S(=O)(=O)Cl	2131266815	UJJZBPFXBRTOGE-QMMMGPOBSA-N	308.791	0.790	70	10	DCIE	
O=C(c1nccnc1Cl)N1CC(CCS(=O)(=O)F)C1	2134972250	ALTYMRNDCRPJFA-UHFFFAOYSA-N	307.734	0.891	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1C[C@H]1C1CC1	2135229379	LJPBCCBUDAXXQW-SFYZADRCSA-N	304.755	0.923	70	10	DCIE	
O=C([C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC(S(=O)(=O)F)CC1	2144733754	SXXOOBXMPKZMEV-ROHXPCBUSA-N	303.355	0.700	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cc([N+](=O)[O-])cs1	2164434031	BUNNCTAJMNWVTR-UHFFFAOYSA-N	323.327	0.532	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCOC[C@@H]1[C@@H]1CCOC1	2172772529	OYBBXLKIJKPLPM-MWLCHTKSSA-N	302.085	0.773	70	10	DCIE	
CC(C)S(=O)(=O)NC1CN(c2ncc([B-](F)(F)F)cn2)C1	2172774641	QORVCJIJAMSRLA-UHFFFAOYSA-N	323.129	0.047	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCO[C@H]([C@H]3CCCO3)C2)nc1	2172774986	VOEIPQZYWUYVLL-MNOVXSKESA-N	302.085	0.915	70	10	DCIE	
O=C(NCc1ccccc1)NC[C@@H](O)Cn1ccccc1=O	218454551	NUJVVBANMJIGCU-CQSZACIVSA-N	301.346	0.709	70	10	DCIE	
Cc1cc(C[C@@H](C)NC(=O)c2ccc(OCC(N)=O)cc2)n[nH]1	161120938	YJPAOHDNQVHGTR-SNVBAGLBSA-N	316.361	0.943	70	10	DCIE	
Cn1cc(C(N)=O)cc1C(=O)N1CC[C@@H](Oc2cccnc2)C1	161373376	MMVMRJPFSPZLQS-CYBMUJFWSA-N	314.345	0.813	70	10	DCIE	
NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2c[nH]c3ncccc23)C1	160205053	HVDITYDUQXDBSQ-UWVGGRQHSA-N	322.390	0.885	70	10	DCIE	
C[C@@H](CC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1ccncc1	160482900	LTOITSZHTPJBTB-AAEUAGOBSA-N	311.407	0.725	70	10	DCIE	
COC(=O)Cn1ncc(N2C[C@@H](CN)C[C@@H]2C)c(Cl)c1=O	159982723	ZNHFGTWSJZYHKG-DTWKUNHWSA-N	314.773	0.243	70	10	DCIE	
CC(C)(F)[C@](C)(F)C(=O)N1CCN(S(=O)(=O)F)CC1	1974014256	GSOOQVVFFZXFEH-SNVBAGLBSA-N	302.318	0.821	70	10	DCIE	
O=C(C1CC(C(F)(F)F)C1)N1CCN(S(=O)(=O)F)CC1	1974000899	IWBPBHFNNKJJQS-UHFFFAOYSA-N	318.292	0.933	70	10	DCIE	
O=C1CN(c2ccccc2CS(=O)(=O)Cl)CC(=O)N1	258963793	XJKODZWRRDYZQM-UHFFFAOYSA-N	302.739	0.218	70	10	DCIE	
C[C@H]1C[C@@H]1CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N	160028000	HDABAABHDVFUND-DTWKUNHWSA-N	318.420	0.607	70	10	DCIE	
CN(CC(=O)N1CCNCC1)c1nnc(C(F)(F)F)s1	160359109	ZYFSUCUCEQKOKB-UHFFFAOYSA-N	309.317	0.425	70	10	DCIE	
O=S(=O)(Cl)c1nnc([C@H]2CCS2(=O)=O)n1C1CC1	2033313227	NQJPYDSQRBFKMX-ZCFIWIBFSA-N	311.772	0.400	70	10	DCIE	
CN([C@H]1CCN(c2ncccc2[B-](F)(F)F)C1)S(C)(=O)=O	2172782574	SXLXWEXXHDVMCO-VIFPVBQESA-N	322.141	0.606	70	10	DCIE	
O=C(OCCN1CCOCC1)c1cc(S(=O)(=O)Cl)c[nH]1	2175875513	YSTWBYFFCKECQF-UHFFFAOYSA-N	322.770	0.431	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3nc([B-](F)(F)F)cs3)C[C@H]2C1	2052596678	CYUHDXJTFJLXNG-BQBZGAKWSA-N	311.139	0.678	70	10	DCIE	
O=C1C[C@H](COc2ccc(C(=O)O)cc2S(=O)(=O)F)N1	2191426251	NCJBLORSVFYTAH-SSDOTTSWSA-N	303.267	0.310	70	10	DCIE	
O=C(C1CC2(CCOC2)C1)N1CC(CCS(=O)(=O)F)C1	2199687280	GITHYSJQNZNKAV-UHFFFAOYSA-N	305.371	0.951	70	10	DCIE	
CS(=O)(=O)N1CCC[C@H](Oc2ncccc2[B-](F)(F)F)C1	2285596080	XBEWXDSMGGKJPZ-VIFPVBQESA-N	323.125	0.939	70	10	DCIE	
O=c1[nH]c(=O)n(CC[C@@H]2CCCO2)cc1S(=O)(=O)Cl	114891596	LDCLPWCBUVJVEW-ZETCQYMHSA-N	308.743	0.033	70	10	DCIE	
CCNC(=O)[C@@H]1CNCCN1c1nnc(C(F)(F)F)s1	160377138	WMABHKMRPXNRFF-LURJTMIESA-N	309.317	0.471	70	10	DCIE	
O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@@]2(O)CCCC[C@H]2C1	160467005	IUZAQLJORZGGAQ-DYEKYZERSA-N	301.408	0.575	70	10	DCIE	
C#C[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1	166839313	KOAPQPSWQUJUQF-QMMMGPOBSA-N	307.780	0.914	70	10	DCIE	
O=c1[nH]c(=O)n(CCc2ccccn2)cc1S(=O)(=O)Cl	215910232	NUQFINQPKCZBIE-UHFFFAOYSA-N	315.738	0.102	70	10	DCIE	
C[C@@H](c1nnc(S(=O)(=O)Cl)n1C1CC1)n1cncn1	235232254	MCVFXICOBKPREK-LURJTMIESA-N	302.747	0.741	70	10	DCIE	
O=S(=O)(Cl)c1nc(-c2ncncc2Br)n[nH]1	390183100	KLXYLMBLPOALCY-UHFFFAOYSA-N	324.547	0.952	70	10	DCIE	
COCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Cl)c1	585861622	RUIYIIKBYHRZBB-UHFFFAOYSA-N	318.742	0.880	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)[C@H]2COC[C@H]2C)c1S(=O)(=O)Cl	688263046	PSMKBIYWJOAUCC-SVRRBLITSA-N	321.786	0.753	70	10	DCIE	
C[C@@H](CC(N)=O)NC(=O)CCc1ccc(S(=O)(=O)F)cc1	1436279180	GNWFAQWPJASUAM-VIFPVBQESA-N	316.354	0.658	70	10	DCIE	
CCNC(=O)CNC(=O)c1ccc(S(=O)(=O)F)c(OC)c1	1531262056	QRXWOUORIZJBNZ-UHFFFAOYSA-N	318.326	0.219	70	10	DCIE	
C=C1COC[C@@H]1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	1965839788	IGAMTBHURCVVHQ-NSHDSACASA-N	321.351	0.578	70	10	DCIE	
Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](S(=O)(=O)F)C1	1968235016	HSKNOGHOVHSPKS-MRVPVSSYSA-N	305.287	0.447	70	10	DCIE	
O=S(=O)(F)N1CCN(S(=O)(=O)c2ccccc2)CC1	1968745609	KIVBBZFTMWMJRI-UHFFFAOYSA-N	308.356	0.207	70	10	DCIE	
C[C@H]1CO[C@@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1	2110069896	LDUQJIRGYREGSM-RNFRBKRXSA-N	308.743	0.301	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1[C@H](CC)C(N)=O	2125953583	LBQWHTBHNKLRCC-SSDOTTSWSA-N	309.775	0.784	70	10	DCIE	
Cn1cc(Cl)cc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271495446	MYLOXYJANKBFTP-QMMMGPOBSA-N	309.750	0.697	70	10	DCIE	
Cc1ccc(F)c(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)n1	2287070156	SSDBXGYWMSEIBE-MRVPVSSYSA-N	305.306	0.548	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccnc(F)c1F	2287071621	UOGMMTJNZSKZGP-LURJTMIESA-N	309.269	0.378	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C1CC2(C1)CC2(F)F	2287078923	RGGFBVJFONCBNQ-ZCUBBSJVSA-N	312.313	0.827	70	10	DCIE	
Cn1c(CCOCC(F)(F)F)nnc1S(=O)(=O)Cl	232354179	NOOQYYKJRINMDC-UHFFFAOYSA-N	307.681	0.864	70	10	DCIE	
Cn1nccc1S(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1	2166544920	RKUGJPUDMIQCOL-UHFFFAOYSA-N	320.327	0.274	70	10	DCIE	
O=C([C@@H]1C[C@H]1Br)N1CCN(S(=O)(=O)F)CC1	1897126506	XSWWSWWBQSDQSH-RNFRBKRXSA-N	315.164	0.128	70	10	DCIE	
CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C)(O)CC2)o1	161259524	KFGGZMWUKHRZBB-UHFFFAOYSA-N	316.379	0.517	70	10	DCIE	
COc1nn(C[C@H]2CCCN2C)c(OC)c1S(=O)(=O)Cl	2149822235	JTBSICVZSNOEOC-MRVPVSSYSA-N	323.802	0.922	70	10	DCIE	
COc1cnccc1C(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2144734094	XCCGEHUSAVDROK-SECBINFHSA-N	302.327	0.994	70	10	DCIE	
O=[N+]([O-])c1nn(CCCn2cncn2)cc1S(=O)(=O)Cl	2145420722	KYKTVCDSKSVADD-UHFFFAOYSA-N	320.718	0.401	70	10	DCIE	
Cn1ncc(Cn2cc(S(=O)(=O)Cl)nc2C2CC2)n1	704280475	OZFRWRULKGSRTL-UHFFFAOYSA-N	301.759	0.865	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@@H]1OCC[C@@H]1F	2179095178	FVUNUGXYVWQUQX-WPRPVWTQSA-N	324.761	0.809	70	10	DCIE	
CC(C)c1[nH]nc(C(=O)NC2(C)COC2)c1S(=O)(=O)Cl	2189272500	KUNBYOSZAPGRFY-UHFFFAOYSA-N	321.786	0.979	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)c2cncc(Cl)c2)C1	2078990931	QIVYSQVGWVXXBM-UHFFFAOYSA-N	314.747	0.407	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ncsc1C1CC1	2268807863	SQZSSVQKQNNRJF-UHFFFAOYSA-N	305.356	0.649	70	10	DCIE	
O=[N+]([O-])c1nn(CCc2cn[nH]c2)cc1S(=O)(=O)Cl	311953801	ZRXHNCMWPJLSNL-UHFFFAOYSA-N	305.703	0.685	70	10	DCIE	
O=C(COc1cccc(S(=O)(=O)Cl)c1)N1CCOCC1	103603534	VGLOFXWKCJEWPO-UHFFFAOYSA-N	319.766	0.852	70	10	DCIE	
O=C(N[C@@H]1CCC[C@H](OCC(F)(F)F)C1)[C@H]1C[C@@H](O)CN1	217743289	WBYRYLSZIOTAMK-CHWFTXMASA-N	310.316	0.716	70	10	DCIE	
Cc1nn(C2CS(=O)(=O)C2)c(Cl)c1S(=O)(=O)Cl	2213856060	SIWVEXPNJOKAOB-UHFFFAOYSA-N	319.191	0.742	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1Cc1cn(C)nn1	2125952809	BDJOMPKRMHWQPC-UHFFFAOYSA-N	305.747	0.134	70	10	DCIE	
CN1CCN(S(=O)(=O)c2ccc(CO)c(Cl)c2)CC1	218654792	ZBDUJNLKQMODNA-UHFFFAOYSA-N	304.799	0.768	70	10	DCIE	
CN(C)CCn1ncc(Cl)c1[C@@H](N)[C@@H]1CN2CCN1CC2	161354255	WYXMICRUDUQDAE-STQMWFEESA-N	312.849	0.098	70	10	DCIE	
COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCOC2)ccc1O	160181494	YJFJDBRJKFMHOP-SECBINFHSA-N	315.347	0.588	70	10	DCIE	
O=S(=O)(Cl)CCCN1C[C@@H]2CCS(=O)(=O)[C@H]2C1	1941408609	IJIVVLNSLHNCKN-IUCAKERBSA-N	301.817	0.064	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1Cc1c(C)nn(C)c1Cl	159490996	HCHUZGRDOXOHNS-LLVKDONJSA-N	300.790	0.719	70	10	DCIE	
CN1CCOC[C@@H]1c1nnc(S(=O)(=O)Cl)n1C(C)(C)C	2155748509	JZJWGHOUWPUZQQ-MRVPVSSYSA-N	322.818	0.964	70	10	DCIE	
O=C(N1CCC(S(=O)(=O)F)CC1)[C@@]12COC[C@@H]1C2(F)F	2161915056	YVIYWPOYFSWBDP-WCBMZHEXSA-N	313.297	0.558	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCO[C@H]([C@@H]3CCOC3)C2)nc1	2172774171	LNCCAZKJFBQFKI-KOLCDFICSA-N	302.085	0.773	70	10	DCIE	
Cc1nc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)ncc1[B-](F)(F)F	2172770048	FVWTUZBQBMJTKV-WCBMZHEXSA-N	320.125	0.463	70	10	DCIE	
O=S1(=O)CC[C@@]2(CCCN2c2ncncc2[B-](F)(F)F)C1	2172773020	VTEPWSSLHYTLMS-NSHDSACASA-N	320.125	0.689	70	10	DCIE	
Cc1nc(Cl)ncc1C(=O)NCC1CN(S(=O)(=O)F)C1	2169447685	UNMRDKOWKRQMCJ-UHFFFAOYSA-N	322.749	0.314	70	10	DCIE	
Cc1cc(S(=O)(=O)F)ccc1O[C@H](C)C(=O)NC(N)=O	2191434319	JBAXJKLDLWEXJT-SSDOTTSWSA-N	304.299	0.615	70	10	DCIE	
O=C(O)c1ccc(O[C@H]2CCNC2=O)c(S(=O)(=O)F)c1	2191426064	KURALNNYMYTWNG-QMMMGPOBSA-N	303.267	0.310	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccn(C2CC2)n1	2186807078	SCJICVRDTGLVCE-UHFFFAOYSA-N	302.331	0.094	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CCS(=O)(=O)CC2)n1	2265936818	PTEMDQSOQHATCX-UHFFFAOYSA-N	309.098	0.379	70	10	DCIE	
Cc1ccc(CC(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cc1	2287068804	JYICRQGXYJHYMY-GFCCVEGCSA-N	300.355	0.942	70	10	DCIE	
Cn1ccnc1Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215910365	JQZWKXMUXSRJPV-UHFFFAOYSA-N	305.703	0.501	70	10	DCIE	
CCN(C)C(=O)CNc1ccc(N)cc1S(=O)(=O)NC	218434140	RMXXDBUKBXGIKQ-UHFFFAOYSA-N	300.384	0.067	70	10	DCIE	
CN1C[C@@H](NS(=O)(=O)c2cc(F)ccc2F)CCC1=O	160052051	KHUCQRPQKATIGV-VIFPVBQESA-N	304.318	0.864	70	10	DCIE	
CC(C)CCOCCNC(=O)Cn1cnn(C(C)(C)C)c1=O	159608525	YLJWXBWNADOHOK-UHFFFAOYSA-N	312.414	0.979	70	10	DCIE	
O=S(=O)(F)c1ccccc1NS(=O)(=O)N1CCOCC1	228315157	HGLXVIHWMGILIS-UHFFFAOYSA-N	324.355	0.334	70	10	DCIE	
CCOC(=O)[C@H](C)Nc1ccc(S(=O)(=O)NC)c(N)c1	159595291	RZCCYUMDRWEWPX-QMMMGPOBSA-N	301.368	0.540	70	10	DCIE	
CCS(=O)(=O)C[C@H](C)N(C)CCCS(=O)(=O)Cl	2003967716	OGBKIMSKYXVRRS-VIFPVBQESA-N	305.849	0.700	70	10	DCIE	
CC(C)(F)CS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2028128737	LIZDATYBMOUBNS-MRVPVSSYSA-N	305.368	0.828	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2[C@@H]3CCO[C@H]32)c1S(=O)(=O)Cl	2176436783	VMJHEDPREVUZKL-LKEWCRSYSA-N	319.770	0.410	70	10	DCIE	
Cc1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c(N)c1	2287065547	NTRPLHULWDQWSF-VIFPVBQESA-N	301.343	0.596	70	10	DCIE	
O=S1(=O)CC(S(=O)(=O)N2CC[C@H]([B-](F)(F)F)C2)C1	2303151338	LROGPDVTSAJSNL-LURJTMIESA-N	306.116	0.037	70	10	DCIE	
O=S(=O)(Cl)CCS(=O)(=O)c1nncc2ccccc12	112215101	YDFJODLQUGUIRY-UHFFFAOYSA-N	320.779	0.972	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2[C@@H]3CC[C@@H]2CC(O)C3)cc1N	159627138	GJRWYDNWUCFMPM-NXEZZACHSA-N	311.407	0.669	70	10	DCIE	
Cc1nc2ccccn2c1CN1CC[C@H](NS(C)(=O)=O)C1	160482808	VUHZBMHQDXLARD-LBPRGKRZSA-N	308.407	0.766	70	10	DCIE	
COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H](N(C)C)C1)CC2	160800594	FEUFUFUBDSMOLT-NWDGAFQWSA-N	322.413	0.085	70	10	DCIE	
C[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)Cl)cn2C)CO1	401457239	ICDVNDMHDIWLPM-YUMQZZPRSA-N	306.771	0.860	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CCN1CCOC1=O	403280663	WJQXHUGOAHTKSM-UHFFFAOYSA-N	307.759	0.825	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)C[C@H]1CCCS1(=O)=O	694434373	XECGAYVOJHPUMK-SNVBAGLBSA-N	317.860	0.844	70	10	DCIE	
CC(C)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ncon1	1636038836	VASZJEKGHQORCN-UHFFFAOYSA-N	302.287	0.721	70	10	DCIE	
Cc1ccc(CC(=O)NCC2CN(S(=O)(=O)F)C2)cc1	1974060152	RPAISUAZLKSSFT-UHFFFAOYSA-N	300.355	0.800	70	10	DCIE	
CC(C)(C)c1nc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)n[nH]1	2144732639	HSTMJKURGHXULL-ZETCQYMHSA-N	304.347	0.616	70	10	DCIE	
COCCn1c([C@@H]2[C@@H]3CCOC[C@H]32)nnc1S(=O)(=O)Cl	2150055783	VACDMRUGLYLOSP-IWSPIJDZSA-N	321.786	0.602	70	10	DCIE	
COCCn1c(C2(CCOC)CC2)nnc1S(=O)(=O)Cl	2157975288	MCXUMCLNMIGTHD-UHFFFAOYSA-N	323.802	0.920	70	10	DCIE	
COc1nn(C)cc1C(=O)N1CC(CCS(=O)(=O)F)C1	2199689158	PIUDNFSBQDANFH-UHFFFAOYSA-N	305.331	0.190	70	10	DCIE	
CO[C@@H]1CN(CCCS(=O)(=O)Cl)[C@H](CF)[C@H]1OC	2318393014	MZOOGFIBOGHAPU-OPRDCNLKSA-N	303.783	0.629	70	10	DCIE	
COC1CN(S(=O)(=O)N2CC[C@](C)([B-](F)(F)F)C2)C1	2319668136	DGKMUDLTMPPMCQ-VIFPVBQESA-N	301.119	0.875	70	10	DCIE	
O=c1ccccn1C[C@@H](O)CNS(=O)(=O)C1CCCCC1	218475155	IIWZUACJLAEQHK-LBPRGKRZSA-N	314.407	0.461	70	10	DCIE	
O=C(NC[C@@H](O)Cn1ccccc1=O)c1ccc(F)c(F)c1	218410546	CMVBOTVXKHFILL-LLVKDONJSA-N	308.284	0.917	70	10	DCIE	
CC[C@H]1CC[C@H](NC)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217971366	JGHINTYWXWDYKA-ZNMIVQPWSA-N	317.499	0.978	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1csc2cncn12	1974054705	HLUVIBXGAHSQQG-UHFFFAOYSA-N	318.355	0.272	70	10	DCIE	
Cc1cc(OC[C@H](O)CNCCNC(N)=O)ccc1Cl	160964200	ANRYARHLZBQDLX-SNVBAGLBSA-N	301.774	0.646	70	10	DCIE	
CC1(C)CCO[C@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2154287608	RAOCQILXTQESNV-QMMMGPOBSA-N	322.770	0.692	70	10	DCIE	
CO[C@@H]1COCC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	380655374	RMSARFODKGPDHH-PSASIEDQSA-N	322.770	0.476	70	10	DCIE	
COC[C@@H](CC(C)C)C(=O)N1CCN(S(=O)(=O)F)CC1	2193444292	BAJRDCJESOGHGA-LLVKDONJSA-N	310.391	0.654	70	10	DCIE	
COCc1cnccc1C(=O)N1CC(CS(=O)(=O)F)C1	2199693563	PEUNXKGWGLRWAY-UHFFFAOYSA-N	302.327	0.599	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C23CC(C)(CO2)C3)[nH]1	2205374496	QGBSUASWBLIHEI-UHFFFAOYSA-N	303.315	0.008	70	10	DCIE	
O=S(=O)(N[C@@H]1CCN(S(=O)(=O)F)C1)C1CCCC1	2258991660	GRIAZANKCFBICS-MRVPVSSYSA-N	300.377	0.137	70	10	DCIE	
O=C(CC(F)(F)C(F)(F)F)NC1CN(S(=O)(=O)F)C1	2268805529	LGKKHLFRVMRMDT-UHFFFAOYSA-N	314.207	0.589	70	10	DCIE	
CS(=O)(=O)N1CC[C@H](Oc2ncccc2[B-](F)(F)F)C1	2270089839	HSMJLNPFZMMVHQ-QMMMGPOBSA-N	309.098	0.549	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cnnc(Cl)c2)[nH]1	2289604000	LDEGDOSKNCHWTL-UHFFFAOYSA-N	319.705	0.196	70	10	DCIE	
O=C(N[C@H]1C[C@@H]2CO[C@H]1C2)c1cc(S(=O)(=O)Cl)c[nH]1	2334556934	PBQKAKWOSXJFPM-HKPALBBZSA-N	304.755	0.849	70	10	DCIE	
CCc1ccc(NC(=O)C(=O)NCC[C@@H](O)COC)cc1F	159487419	IMCZJTQSZWJMAZ-GFCCVEGCSA-N	312.341	0.840	70	10	DCIE	
CN(C)CCn1ncc(N2CCNCC2(C)C)c(Cl)c1=O	159613083	XWVLFRIXNVEHEG-UHFFFAOYSA-N	313.833	0.647	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc([C@H](C)N)cc2)CCOC1	160661760	QOUQDIWRGTZVCB-SMDDNHRTSA-N	314.407	0.790	70	10	DCIE	
CN(C)C(=O)NCCNC1CC(NC(=O)OC(C)(C)C)C1	160769443	FVDCZZPAFWUKQG-UHFFFAOYSA-N	300.403	0.903	70	10	DCIE	
C[C@@H](C(=O)N(C)C)n1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215929259	LIKMUZIBKDBQSE-YFKPBYRVSA-N	310.719	0.368	70	10	DCIE	
CC(C)N1C[C@H](NC(=O)NC(=O)c2ccccc2N)CC1=O	217288763	PHVOCMNPIGGADQ-SNVBAGLBSA-N	304.350	0.718	70	10	DCIE	
O=S(=O)(CCC1(S(=O)(=O)Cl)CC1)N1CCOCC1	696378158	SDIFYXACVKPYDV-UHFFFAOYSA-N	317.816	0.140	70	10	DCIE	
CN1C[C@H](C(=O)Nc2ccccc2S(=O)(=O)F)CC1=O	701164886	LEPQSJNCHRPMMJ-MRVPVSSYSA-N	300.311	0.762	70	10	DCIE	
O=C(Nc1ncc(S(=O)(=O)F)s1)c1cc2n(n1)CCO2	1287483302	UTPBDACVLNWCNV-UHFFFAOYSA-N	318.311	0.643	70	10	DCIE	
C[C@H](CCCN(C)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cl	2037937131	VXNAPOUNVDPSPY-ZJUUUORDSA-N	317.860	0.843	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1[C@H](C)C(=O)NC	2125953141	GEAUKSACIUCDEQ-SSDOTTSWSA-N	309.775	0.654	70	10	DCIE	
CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1	159928001	UGWTUUGBCFOCPW-WDEREUQCSA-N	316.365	0.762	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC1CC(F)(F)C1	383112634	IBZZMCYAOQXJBR-UHFFFAOYSA-N	314.697	0.922	70	10	DCIE	
C#C[C@@]1(O)CCN(C(=O)c2cccc(S(=O)(=O)Cl)c2)C1	707974510	IDKKFEPFZULVQW-CYBMUJFWSA-N	313.762	0.824	70	10	DCIE	
O=[N+]([O-])c1ccc(N2CC(CO)C2)c(CS(=O)(=O)F)c1	1162915159	AEVZGFLAWNFOLS-UHFFFAOYSA-N	304.299	0.823	70	10	DCIE	
C#CCCN[C@H](C)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1717741182	NXGHTGZVRUGHAA-SNVBAGLBSA-N	315.370	0.746	70	10	DCIE	
CC(F)(F)C1(C(=O)N2CCN(S(=O)(=O)F)CC2)CC1	1974015665	WNAXZVLMRXONTD-UHFFFAOYSA-N	300.302	0.780	70	10	DCIE	
NC(=O)COc1ccc(S(=O)(=O)F)cc1Br	1989237921	UFRJBLQDGGXZBA-UHFFFAOYSA-N	312.116	0.971	70	10	DCIE	
CS(=O)(=O)NC1CN(c2ncc([B-](F)(F)F)cc2F)C1	2116151628	BEAIQTZTEYAADV-UHFFFAOYSA-N	312.077	0.013	70	10	DCIE	
CC(C)Cn1c(CN2CCOCC2)nnc1S(=O)(=O)Cl	2148796216	WKGCXNMSOIMIRY-UHFFFAOYSA-N	322.818	0.694	70	10	DCIE	
CN([C@H]1CCN(c2ccc([B-](F)(F)F)cn2)C1)S(C)(=O)=O	2172785683	VWSMWYDTBIVEEC-JTQLQIEISA-N	322.141	0.606	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ncc(F)cc3[B-](F)(F)F)C[C@H]2C1	2188591082	WGEYIVZPGHUMTK-YUMQZZPRSA-N	323.100	0.756	70	10	DCIE	
CNC(=O)[C@H]1COCCN1C(=O)c1nc(Cl)ccc1Cl	159507303	IIDHUVCNKPSKPP-MRVPVSSYSA-N	318.160	0.975	70	10	DCIE	
C[C@@H](NC(=O)N1CCN(CCO)CC1)Oc1ccc(O)cc1	217277756	HPVKFHPEPVBQCB-LBPRGKRZSA-N	309.366	0.437	70	10	DCIE	
O=S(=O)(Cl)C[C@@H]1CCO[C@]2(CCCS(=O)(=O)C2)C1	958530030	AGPSVULUOGFACT-NXEZZACHSA-N	316.828	0.929	70	10	DCIE	
C[C@@H](O)CN(C)CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1268250770	HTWHQSZSCHWQOW-SECBINFHSA-N	321.374	0.058	70	10	DCIE	
CO[C@@H](C)CNCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1481281561	SORAGGMMYFLFQE-VIFPVBQESA-N	321.374	0.369	70	10	DCIE	
COC1(CCNC(=O)OC(C)(C)C)CN(S(=O)(=O)F)C1	1954659431	LVHHEGSZIVNFFY-UHFFFAOYSA-N	312.363	0.816	70	10	DCIE	
CC(C)(C)OC(=O)N1CCO[C@H]2CCN(S(=O)(=O)F)C[C@H]21	1955897310	CQGCUOMEUZAFQD-ZJUUUORDSA-N	324.374	0.911	70	10	DCIE	
O=C(C[C@@H]1CCCOCC1)NCC1CN(S(=O)(=O)F)C1	1974055317	PIGHAKHTXAOXST-SNVBAGLBSA-N	308.375	0.456	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)[C@@H]1CCCC[C@@H]1F	2006781721	QHGREWKIULXMLV-JGVFFNPUSA-N	307.796	0.755	70	10	DCIE	
COc1nc(N(C)CCS(C)(=O)=O)ncc1[B-](F)(F)F	2116125513	AULKFMRROIIJKB-UHFFFAOYSA-N	312.102	0.020	70	10	DCIE	
C[C@]1(C(F)(F)F)C[C@@H]1C(=O)N1CCN(S(=O)(=O)F)CC1	2163652696	QAJGESINRBMXRX-APPZFPTMSA-N	318.292	0.933	70	10	DCIE	
CN(CC1[C@@H]2CS(=O)(=O)C[C@@H]12)c1ncccc1[B-](F)(F)F	2174649276	QMSADMWQYFLIIX-UWVGGRQHSA-N	319.137	0.863	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]32)c1S(=O)(=O)Cl	2176535075	QYTPYTDEWPGGHQ-MTQIGAJGSA-N	319.770	0.417	70	10	DCIE	
CCc1conc1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2195427543	GGMLKYGAOIUEBM-UHFFFAOYSA-N	302.287	0.303	70	10	DCIE	
O=C1CCCCCN1CC(=O)N1CC(CS(=O)(=O)F)C1	2199697743	LVYKEXVCFVJHGZ-UHFFFAOYSA-N	306.359	0.147	70	10	DCIE	
C[C@H](CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1)C1CC1	2271516546	OABMGKNKHIBMNY-SCZZXKLOSA-N	314.404	0.241	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ncoc1C1CC1	2287071111	HRIDAQIDVPLGAB-MRVPVSSYSA-N	303.315	0.570	70	10	DCIE	
CNC(=O)COc1c(C)cc([N+](=O)[O-])cc1S(=O)(=O)Cl	123086010	IKMFQRDVUNYULR-UHFFFAOYSA-N	322.726	0.956	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)N1CCCCCC1	124139246	UTUVSXRWMYMNCN-UHFFFAOYSA-N	304.821	0.265	70	10	DCIE	
C[S@@](=O)CCNC(=O)c1cccc(S(=O)(=O)Cl)c1	135261125	MWYWGRUYVQAFNY-KRWDZBQOSA-N	309.796	0.722	70	10	DCIE	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)C1	160075772	TVHCBHXSJMEMOK-GRYCIOLGSA-N	303.428	0.420	70	10	DCIE	
O=C(CNC(=O)c1cc(-c2ccccc2)on1)NC1(CO)CC1	160307852	RGHZEBQMBAWQJN-UHFFFAOYSA-N	315.329	0.713	70	10	DCIE	
C[C@@H]([C@@H](Cc1ccc(Br)cn1)NN)S(C)(=O)=O	161131029	SVOLQJXGCBNKFV-OIBJUYFYSA-N	322.228	0.652	70	10	DCIE	
C[C@@H](Oc1ccc(S(=O)(=O)Cl)cc1F)C(=O)NC(N)=O	216002267	NLKNDXGBOPYVJS-RXMQYKEDSA-N	324.717	0.715	70	10	DCIE	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2)c1cc(S(=O)(=O)F)c[nH]1	1350803628	JVLOALVGJCXKMC-YKDSUIRESA-N	316.354	0.810	70	10	DCIE	
C[C@H](O)CN(C)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1485352958	PIKHDVULQBMPOV-BDAKNGLRSA-N	321.374	0.104	70	10	DCIE	
C[C@@H]1CCO[C@H]1CC(=O)NC1CCN(S(=O)(=O)F)CC1	1974394654	MRABCAOWBCZUNQ-KOLCDFICSA-N	308.375	0.596	70	10	DCIE	
O=S1(=O)C[C@H]2CCN(c3ncncc3[B-](F)(F)F)[C@H]2C1	2116139488	AAFWNWGYKGRYDT-APPZFPTMSA-N	306.098	0.154	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CC[C@H]3OCCO[C@@H]3C2)n1	2172767947	BBKNWQMKGJIIHL-GHMZBOCLSA-N	302.085	0.834	70	10	DCIE	
O=S1(=O)CCC[C@H]2CN(c3ncc([B-](F)(F)F)cn3)C[C@@H]21	2172783447	FMFSSFRHPRLZHX-WPRPVWTQSA-N	320.125	0.544	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCC(F)(F)C1	2271493045	CPFAPMDGSYWRCI-SFYZADRCSA-N	300.302	0.827	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@]12COC[C@H](C1)C2	2288691257	KSRLNNADYUFHOE-ITWVYHRLSA-N	318.782	0.861	70	10	DCIE	
CO[C@@H]1CC[C@@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	724420284	RMFLKDZECPLQBJ-NKWVEPMBSA-N	307.759	0.553	70	10	DCIE	
Cn1c([C@H]2C[C@H]2Br)nnc1S(=O)(=O)Cl	1893036283	OPRAHKKJPMRSOX-IUYQGCFVSA-N	300.565	0.993	70	10	DCIE	
C[C@@H](CNCCCO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1666619682	INDODAXBIXMLFQ-VIFPVBQESA-N	321.374	0.011	70	10	DCIE	
CCOCCO[C@H]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1	160176414	IAPOTHGXIOBXAH-OLZOCXBDSA-N	323.397	0.430	70	10	DCIE	
C[C@@H](CS(C)(=O)=O)CS(=O)(=O)c1n[nH]c(C2CC2)n1	160363684	PMHAOSAMQFJRKH-ZETCQYMHSA-N	307.397	0.137	70	10	DCIE	
CO[C@H]1C[C@H](C(=O)N2CC(CS(=O)(=O)F)C2)C[C@H]1OC	1973028941	WFKZKOGCEIXDJZ-RTCCRHLQSA-N	309.359	0.184	70	10	DCIE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	1974055659	ULMRUKMSYVCNST-KXGXSXBTSA-N	304.387	0.931	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1C(=O)c1nnc(Cl)s1	159519678	BFPONYIMXROOKH-ZETCQYMHSA-N	318.786	0.557	70	10	DCIE	
O=C(c1c[nH]nc1Br)N1CC(S(=O)(=O)F)C1	1992831836	QAOMMYNIWHCBJJ-UHFFFAOYSA-N	312.120	0.296	70	10	DCIE	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)CCCS(=O)(=O)Cl	2004031853	MFNULAZRUOCJBN-DTWKUNHWSA-N	305.849	0.699	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CCO[C@@H]3C[C@H]32)cc1	2171916773	IURSPFUVAJWTSI-GHMZBOCLSA-N	321.351	0.507	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)c1S(=O)(=O)Cl	384652630	CFUAAQAYVQKGED-LPBLVHEISA-N	321.786	0.941	70	10	DCIE	
Cc1ncnc(N2CCO[C@@H]3COCC[C@H]32)c1[B-](F)(F)F	2172764348	BIOYKADHTKILKX-NXEZZACHSA-N	302.085	0.834	70	10	DCIE	
Cc1ncnc(N2CC[C@H]3OCCO[C@@H]3C2)c1[B-](F)(F)F	2172769125	SOSLTOONKOMGIK-NXEZZACHSA-N	302.085	0.834	70	10	DCIE	
CO[C@@H]1CC[C@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)C1	2174880830	MYODATBHBYWEDK-JGVFFNPUSA-N	305.331	0.254	70	10	DCIE	
CCCc1cnnc(S(=O)(=O)CCS(=O)(=O)Cl)c1	2260167318	MRDUYWUNSYROAC-UHFFFAOYSA-N	312.800	0.771	70	10	DCIE	
Cc1ccnc(C)c1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287074222	CHXHQBFWCRYWOQ-JTQLQIEISA-N	301.343	0.717	70	10	DCIE	
Cc1cc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)ncc1[B-](F)(F)F	2336396651	DXBQDKMHFXNYDX-PSASIEDQSA-N	305.110	0.678	70	10	DCIE	
O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1CCC[C@H](S(=O)(=O)F)C1	2353948719	MGGFQYAQFZERLA-IWTNGPMKSA-N	303.355	0.700	70	10	DCIE	
C=CCCNC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1268704494	FTMCVPFFCHUALA-VIFPVBQESA-N	303.359	0.957	70	10	DCIE	
N[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)C1	160182095	ZBCMZFFFQRCWRC-HUUCEWRRSA-N	301.390	0.637	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H](C)[C@@H]2CCOC2)c1S(=O)(=O)Cl	167000023	XIJDTQCQKHZLQT-POYBYMJQSA-N	321.786	0.800	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@H]2CCC(=O)N(C)C2)cc1N	159636203	PKGMFTCHQDVJTG-JTQLQIEISA-N	312.395	0.210	70	10	DCIE	
CCN1CCCN(C(=O)NCCCCN2CCOCC2)CC1	159638475	LQTQBTOBHRPRDK-UHFFFAOYSA-N	312.458	0.836	70	10	DCIE	
C[C@H](NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)NCC(F)(F)F	159830391	UXMFBHZPUATDQK-AXFHLTTASA-N	309.332	0.506	70	10	DCIE	
O=C(NC1CC1)[C@@H]1COCCN1C(=O)c1cccc(Cl)n1	159515660	QYDUWBHRKKGYRR-NSHDSACASA-N	309.753	0.855	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)CN2CCCCC2)n1	1923174927	BKSQVSFHIOHJCH-UHFFFAOYSA-N	304.347	0.503	70	10	DCIE	
COCCn1c(-c2cnsc2)nnc1S(=O)(=O)Cl	687181473	LUUVLYRWUQLGPA-UHFFFAOYSA-N	308.772	0.976	70	10	DCIE	
CO[C@@H]1COC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	2177283701	OMSDUDBLNWHMDW-PSASIEDQSA-N	322.770	0.096	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2C[C@@H]2COC)c1S(=O)(=O)Cl	2174355199	MJJKPGDSIRFYGM-SVRRBLITSA-N	321.786	0.664	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C2C[C@@H]3CC[C@H]3C2)[nH]1	2189009979	RTSBHABRAIXLTN-YUMQZZPRSA-N	301.343	0.875	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@H]2COC[C@H]21	2118018148	WXDUZDIYAFNZAZ-MBTKJCJQSA-N	304.755	0.327	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC12COCC(C1)C2	2288691258	KSRLNNADYUFHOE-UHFFFAOYSA-N	318.782	0.861	70	10	DCIE	
Cc1nc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)ncc1[B-](F)(F)F	2336509580	VGOJXIHZOFXQSS-CBAPKCEASA-N	306.098	0.073	70	10	DCIE	
COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1S(=O)(=O)F	713303017	VYHMJJDVFDVBMK-JGVFFNPUSA-N	311.331	0.694	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1cc(N)cc(C)c1F	218121189	ATCPBUVFLKSGRI-UHFFFAOYSA-N	303.359	0.473	70	10	DCIE	
COCCCN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1692235488	ISEFOYBMKFNMPE-UHFFFAOYSA-N	319.358	0.123	70	10	DCIE	
CN(CC1(O)CCOCC1)S(=O)(=O)c1ccccc1CN	161487641	BVQIRAKBWYNAKW-UHFFFAOYSA-N	314.407	0.307	70	10	DCIE	
CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)nc2)C1	160908024	QOZKOMNSEVFCKD-CYBMUJFWSA-N	304.350	0.456	70	10	DCIE	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCC2CN(S(=O)(=O)F)C2)[C@@H]1C	1974055416	QSXJPFFTBKINNB-PKIKSRDPSA-N	308.375	0.308	70	10	DCIE	
C[C@@H]1CCS[C@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394371	IASZCMLFLIUYJP-PSASIEDQSA-N	310.416	0.923	70	10	DCIE	
CC[C@H](CCOC)C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394302	HDXYWECACDPGFI-SNVBAGLBSA-N	310.391	0.844	70	10	DCIE	
COC[C@H](C)S(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2028129512	NEVLGADCLGNXTL-QMMMGPOBSA-N	303.377	0.115	70	10	DCIE	
COCCn1c(CCn2ccnc2)nnc1S(=O)(=O)Cl	312288608	AMRZNACCCSCGBG-UHFFFAOYSA-N	319.774	0.291	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CC[C@H](N2CCOCC2)C1	2172774311	MZRVSASFKJDTAL-JTQLQIEISA-N	301.101	0.442	70	10	DCIE	
Cc1ncnc(N2CCC[C@@H]2CS(C)(=O)=O)c1[B-](F)(F)F	2172767238	RIDMDNWNZXPSOR-SECBINFHSA-N	322.141	0.853	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2C[C@H]3C[C@H]3C2)c1	380376971	DTKUNHXQDBAZBG-DTORHVGOSA-N	305.352	0.985	70	10	DCIE	
O=C(c1cnnc(Br)c1)N1CC(S(=O)(=O)F)C1	2251364470	VTNXLVRMGPYJIL-UHFFFAOYSA-N	324.131	0.363	70	10	DCIE	
CO[C@@H](C(=O)NC1CN(S(=O)(=O)F)C1)c1ccccc1	2284151605	RTOREOXKEQNQOH-LLVKDONJSA-N	302.327	0.389	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@H]2C=C[C@H]1CC2	2287076164	HFLAUEHYSUAYMT-YFKTTZPYSA-N	302.371	0.994	70	10	DCIE	
CCNC(=O)c1ccc(SCCS(=O)(=O)Cl)nn1	124857368	XWLVHOXVNNFSHN-UHFFFAOYSA-N	309.800	0.887	70	10	DCIE	
O=S1(=O)CCCN(c2ncc([B-](F)(F)F)cc2F)CC1	2116157835	LIRVGQDENHZWJF-UHFFFAOYSA-N	311.089	0.900	70	10	DCIE	
O=C(Cc1ccc(S(=O)(=O)Cl)s1)N[C@@H]1[C@H]2COC[C@H]21	2118017337	VHKCNICNXQLBEZ-VROVMSAKSA-N	321.807	0.979	70	10	DCIE	
COc1nn(C[C@@H](C)N(C)C)c(OC)c1S(=O)(=O)Cl	2121109802	JKUVHIZKXWBSRI-SSDOTTSWSA-N	311.791	0.778	70	10	DCIE	
O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1CCc2ncnn2C1	160940983	XVZAPCQMTXLRQX-KGLIPLIRSA-N	315.377	0.496	70	10	DCIE	
Cc1cc(S(=O)(=O)Cl)n([C@]2(C)CCS(=O)(=O)C2)n1	203244898	SWWTVQAUDCHLIM-SECBINFHSA-N	312.800	0.653	70	10	DCIE	
COC[C@@H](O)CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	159943889	OHIWVMPHWWVIET-KBMXLJTQSA-N	321.421	0.813	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)[C@@H](CC)C(N)=S	159777982	PNSDHGRTBYZKKN-VHSXEESVSA-N	301.412	0.052	70	10	DCIE	
O=S1(=O)CCC[C@H]2CN(c3ncncc3[B-](F)(F)F)C[C@H]21	2172785558	LQRBEECVLAVOIO-WCBMZHEXSA-N	320.125	0.544	70	10	DCIE	
CO[C@H]1C[C@@H](CC(=O)Nc2nn(C)cc2S(=O)(=O)F)C1	2167587084	KXAVUVYYYUYGMH-OCAPTIKFSA-N	305.331	0.832	70	10	DCIE	
Cc1cc(OCC(=O)NC(N)=O)cc(C)c1S(=O)(=O)F	2191426575	QZXUEFCMKHDVIC-UHFFFAOYSA-N	304.299	0.535	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CCC[C@@H]1C(F)F	2270135935	ZZVQKQQSPFRPKV-YUMQZZPRSA-N	300.302	0.683	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccc(CO)cc1	2287078648	IWVILLRQJOPUDR-NSHDSACASA-N	302.327	0.197	70	10	DCIE	
CCOCCNC(=O)c1n[nH]c(CC)c1S(=O)(=O)Cl	115019369	DKCPPOBUURRDKH-UHFFFAOYSA-N	309.775	0.666	70	10	DCIE	
COC[C@]12CCO[C@@H]1CN(c1ncc([B-](F)(F)F)cn1)C2	2361567644	HWXSYLIHESFZEB-ZYHUDNBSSA-N	302.085	0.773	70	10	DCIE	
CN(C)c1cccc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)c1	161190365	BEOWRUACJPLKQZ-GFCCVEGCSA-N	311.407	0.468	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1C(=O)c1cccc(N)c1Cl	160336803	KSMVEFYGLIIUQK-LLVKDONJSA-N	311.769	0.899	70	10	DCIE	
C[C@@H](CCCN(C)CCS(C)(=O)=O)S(=O)(=O)Cl	1949709763	LZIQZDIQLZIXQO-VIFPVBQESA-N	305.849	0.700	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@@H](C)CCN(C)C)cc1N	159595854	ZMDDVZVNZMYOLL-JTQLQIEISA-N	300.428	0.929	70	10	DCIE	
CCCNc1nnc(C(=O)NC[C@@]2(OC)CCOC2)s1	161253353	PXTRNXNBNPEAQK-LBPRGKRZSA-N	300.384	0.895	70	10	DCIE	
C[C@]1([C@@H]2CCCS(=O)(=O)C2)CC(=O)N1S(=O)(=O)Cl	2029450258	KARCOSWCTIIRMJ-VXNVDRBHSA-N	315.800	0.286	70	10	DCIE	
O=[N+]([O-])c1cncc(S(=O)(=O)CCS(=O)(=O)Cl)c1	2062747322	OGRIWNAOUNMZHW-UHFFFAOYSA-N	314.728	0.332	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@H]2C=CCOC2)c1S(=O)(=O)Cl	2270162711	FXEARFKIEXXFOS-ZETCQYMHSA-N	306.727	0.757	70	10	DCIE	
CN(C1(C)COC1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	2208297785	KFBZWVNEMCZYRX-UHFFFAOYSA-N	323.367	0.754	70	10	DCIE	
O=C(C[C@H]1CCCOCC1)N[C@H]1CCN(S(=O)(=O)F)C1	2287065391	MANNEYRBTXFVAJ-QWRGUYRKSA-N	308.375	0.598	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1nc(C)ccc1C(N)=S	159794191	FGYHIJXPTHBTFK-NSHDSACASA-N	308.407	0.366	70	10	DCIE	
NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2c[nH]c3ncccc23)C1	160205291	HVDITYDUQXDBSQ-ZJUUUORDSA-N	322.390	0.885	70	10	DCIE	
CN(Cc1cccc(N(C)C)c1)C(=O)C[C@@H]1NC(=O)NC1=O	160613061	VBPQEXNFKZXCKH-LBPRGKRZSA-N	304.350	0.309	70	10	DCIE	
COc1cc(/C=C/C(=O)N[C@H]2CCC(=O)NC2=O)ccc1F	160922525	FOPJHFQNIYPJEK-GQOHGMTASA-N	306.293	0.769	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2CCOCC2)c1	166114516	JCRSPPDYAPIURP-UHFFFAOYSA-N	309.340	0.366	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2CO[C@H](C)C2)c1S(=O)(=O)Cl	401456155	HUDPCKHWSWWGAG-IYSWYEEDSA-N	307.759	0.553	70	10	DCIE	
CCc1nc(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)cs1	1923167980	RYCQBDOYDGSIMR-UHFFFAOYSA-N	318.355	0.771	70	10	DCIE	
CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NS(=O)(=O)F)C1	1953574482	VGUWOWGMRQXTLT-VIIUKITBSA-N	316.376	0.966	70	10	DCIE	
CN1C(=O)C[C@@H](Oc2ccc(S(=O)(=O)Cl)cc2)C1=O	2096083725	HMPRTDKAPDEINY-SECBINFHSA-N	303.723	0.750	70	10	DCIE	
CN(Cc1nnnn1C)c1ncc([B-](F)(F)F)cc1Cl	2116152897	JWBSTWZOYCQMCP-UHFFFAOYSA-N	305.480	0.949	70	10	DCIE	
Cc1cncc(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)c1	2134975759	RMCRTMZAIAKYPK-UHFFFAOYSA-N	308.356	0.310	70	10	DCIE	
CCCc1[nH]nc(C(=O)NCC2COC2)c1S(=O)(=O)Cl	2154130848	IIRLHLNTOFLIRF-UHFFFAOYSA-N	321.786	0.666	70	10	DCIE	
O=S(=O)(F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	2163650751	HNDCWPVGAPIZDK-UHFFFAOYSA-N	322.383	0.348	70	10	DCIE	
Cc1ncnc(N2CC[C@@H](CS(C)(=O)=O)C2)c1[B-](F)(F)F	2172765502	SANJTTGURPKWES-SECBINFHSA-N	322.141	0.710	70	10	DCIE	
CN(c1ncccc1[B-](F)(F)F)[C@@H]1CCN(S(C)(=O)=O)C1	2172784568	PKRGFTOZWRHWQJ-SECBINFHSA-N	322.141	0.606	70	10	DCIE	
O=C(c1cc(O)cc(O)c1)N1CC(CCS(=O)(=O)F)C1	2199692336	IUPQLNKGQYYAAN-UHFFFAOYSA-N	303.311	0.859	70	10	DCIE	
CN(C)c1cccc(C(=O)NC[C@H](O)Cn2ccccc2=O)c1	218429622	AJDFFHCRRXNYAI-HNNXBMFYSA-N	315.373	0.705	70	10	DCIE	
COCCn1nnc(Br)c1S(=O)(=O)Cl	757137967	PGXRZYPDZXPREB-UHFFFAOYSA-N	304.553	0.615	70	10	DCIE	
C#CCNCC1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1733953081	LYHRWMGIWMWAAJ-UHFFFAOYSA-N	313.354	0.404	70	10	DCIE	
CCN(CCNS(=O)(=O)c1c(N)nn(C)c1C)C1CC1	218172005	FVFZJCUECUTJLI-UHFFFAOYSA-N	301.416	0.073	70	10	DCIE	
CCc1ccc(NC(=O)C(=O)NCC[C@H](O)COC)cc1F	159487295	IMCZJTQSZWJMAZ-LBPRGKRZSA-N	312.341	0.840	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccc(F)cc2N)CCOC1	159904354	GSJKKBPVDAQQEV-LBPRGKRZSA-N	304.343	0.492	70	10	DCIE	
CCCS(=O)(=O)NC1CN(c2ccncc2[B-](F)(F)F)C1	2172774132	LCBXZYAKFNUESF-UHFFFAOYSA-N	322.141	0.654	70	10	DCIE	
COCCn1c(-c2ccncn2)nnc1S(=O)(=O)Cl	396960497	BIKGGTRWJYZCGH-UHFFFAOYSA-N	303.731	0.309	70	10	DCIE	
COCCNS(=O)(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2073786051	GYEYSVBNRUQCQP-IUCAKERBSA-N	301.119	0.781	70	10	DCIE	
CC[C@H]1CC[C@@H](Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)O1	2201411270	ZZGVUFVUDWYRAH-YUMQZZPRSA-N	322.770	0.834	70	10	DCIE	
Nc1c(F)cccc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287066326	VWHLYZPVYQJYJK-ZETCQYMHSA-N	305.306	0.426	70	10	DCIE	
C[C@H](NS(N)(=O)=O)c1ccc(S(=O)(=O)Cl)s1	100634600	OJBBDUKCBKDEKO-BYPYZUCNSA-N	304.802	0.530	70	10	DCIE	
CC12CC(C1)[C@H](C(=O)N1CC(CCS(=O)(=O)F)C1)CO2	2362910885	QQVGZVPVYLGNJJ-QWKFWESOSA-N	305.371	0.949	70	10	DCIE	
CC(C)(C)OC(=O)N[C@@H]1Cc2cnc(S(C)(=O)=O)nc2C1	217920832	ZAWNMIJOGXDICI-SECBINFHSA-N	313.379	0.872	70	10	DCIE	
Cc1cc(OCC(=O)NC(N)=O)ccc1S(=O)(=O)Cl	215971791	CRHMKCYGDAYSDW-UHFFFAOYSA-N	306.727	0.496	70	10	DCIE	
CS(=O)(=O)c1cccc(-c2nnc(S(=O)(=O)Cl)[nH]2)c1	133312545	DYZHZJSKOXBNBB-UHFFFAOYSA-N	321.767	0.803	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N[C@@]23COC[C@H]2C3)c1	718104105	YZZXEXQIYJJCDQ-KCJUWKMLSA-N	321.351	0.412	70	10	DCIE	
CCC(=O)N[C@@H](C)C(=O)Nc1ncc(S(=O)(=O)F)s1	1132039199	PCBHBGCRDXCFLZ-YFKPBYRVSA-N	309.344	0.655	70	10	DCIE	
NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2c[nH]c3ncccc23)C1	160204909	HVDITYDUQXDBSQ-VHSXEESVSA-N	322.390	0.885	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1c1nc(Cl)nc(NC)n1	160561042	VVPNPMZNHFBCHB-QMMMGPOBSA-N	314.777	0.298	70	10	DCIE	
CC[C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCN1CCOC	160923076	KIPOYFUCJACMGY-CYBMUJFWSA-N	322.409	0.570	70	10	DCIE	
CC[C@H]1CN(c2ccc(S(=O)(=O)NC)c(N)c2)CCN1C	159624652	UXPWGOMODBEJKZ-NSHDSACASA-N	312.439	0.707	70	10	DCIE	
CCNc1cc(C)nc(CN2CCN(S(C)(=O)=O)CC2)n1	159820288	CGESFLQIXCWIRP-UHFFFAOYSA-N	313.427	0.294	70	10	DCIE	
COc1cc([C@H](O)[C@@H]2CCS(=O)(=O)C2)cc2c1OCO2	160076192	CAJXWYSETHTTBJ-PRHODGIISA-N	300.332	0.892	70	10	DCIE	
CN1CC[C@@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	712296266	BRZCFHARUAQKRT-SECBINFHSA-N	322.383	0.327	70	10	DCIE	
CN1CC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	712296267	BRZCFHARUAQKRT-VIFPVBQESA-N	322.383	0.327	70	10	DCIE	
O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](S(=O)(=O)F)C1	2188911118	ACBRYWUCHWVIHW-ZETCQYMHSA-N	305.283	0.317	70	10	DCIE	
Cc1ccnc(N2CCN3CCOC[C@@H]3C2)c1[B-](F)(F)F	2185883293	XGDHGBHXUIEUPI-NSHDSACASA-N	300.113	0.965	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)C[C@@H]2CC[C@@H](F)C2)C1	2078988143	DDCFTDYBFNDYNR-HTQZYQBOSA-N	303.352	0.438	70	10	DCIE	
CCn1c([C@H](OC)[C@H]2CCOC2)nnc1S(=O)(=O)Cl	2093879361	OBAHBFITZSWRGK-JGVFFNPUSA-N	309.775	0.950	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C[C@H]1C(F)F	2112725667	ZBPOPUOUXXHHKD-HTQZYQBOSA-N	300.302	0.683	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccncc1Cl	2271496632	ZMODNVNBYLVWQW-ZETCQYMHSA-N	307.734	0.753	70	10	DCIE	
CS(=O)(=O)N1CC[C@@H](OCCCCS(=O)(=O)Cl)C1	2257809033	LJPYLXGFHALDSU-SECBINFHSA-N	319.832	0.386	70	10	DCIE	
O=S(=O)(N[C@@H]1CCN(S(=O)(=O)F)C1)C1CC2(CC2)C1	2271515292	IRZMYSTWWUPRET-MRVPVSSYSA-N	312.388	0.137	70	10	DCIE	
CS(=O)(=O)N1CCC[C@H](Oc2ccc([B-](F)(F)F)cn2)C1	2285598792	DXVBMHZQDBNOKJ-JTQLQIEISA-N	323.125	0.939	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cc(F)ccc1F	2287067528	HFKLJVQRRAKRBQ-QMMMGPOBSA-N	308.281	0.983	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ncoc1C(F)F	2287069163	APLAXSDPEVJJKG-RXMQYKEDSA-N	313.257	0.631	70	10	DCIE	
COCCOCCCCNS(=O)(=O)C[C@H]1CCCCN1	159472940	NDQHJSFJTKASJQ-CYBMUJFWSA-N	308.444	0.491	70	10	DCIE	
CNC(=O)[C@H]1COCCN1Cc1ccc(F)cc1C(N)=S	159820242	UDKXTKOKUJYCLP-GFCCVEGCSA-N	311.382	0.407	70	10	DCIE	
C[C@H](O)c1cccc(S(=O)(=O)NCC(=O)NC(C)(C)C)c1	159946276	ZOCDGWZBLBTQFC-JTQLQIEISA-N	314.407	0.933	70	10	DCIE	
CCNc1ncccc1S(=O)(=O)NCC(=O)NC(C)(C)C	159971707	CFTNQAKVMRWTJM-UHFFFAOYSA-N	314.411	0.706	70	10	DCIE	
C[C@@H]1C[C@H]1CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N	160028136	HDABAABHDVFUND-BDAKNGLRSA-N	318.420	0.607	70	10	DCIE	
CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H](C)CO)cc1	160363770	WJUWIJPHPVXOMN-MNOVXSKESA-N	314.407	0.732	70	10	DCIE	
Cn1nccc1CNC(=O)N1CCCN(CC(F)F)CC1	160430425	FLLANTNXPILUCO-UHFFFAOYSA-N	301.341	0.903	70	10	DCIE	
COc1ccc(C(F)(F)C(=O)N[C@@H]2CCC(=O)NC2=O)cc1	160699379	BCIOTIKJVDPNTM-SNVBAGLBSA-N	312.272	0.708	70	10	DCIE	
C[C@@H]1CCCC[C@H]1OC[C@H](O)CNCCNC(=O)N(C)C	160955984	YTFLZCCWSOYKOJ-MGPQQGTHSA-N	301.431	0.803	70	10	DCIE	
C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	163334377	YBDNMHXVNXKEGD-KWQFWETISA-N	323.367	0.801	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1CC(=O)NC1CC1	305931604	CGRPRLUYOZAOBK-UHFFFAOYSA-N	322.730	0.306	70	10	DCIE	
CS(=O)(=O)N1CCC[C@@H](Oc2cncc([B-](F)(F)F)c2)C1	689733075	PATULJWTUXMTFF-SNVBAGLBSA-N	323.125	0.939	70	10	DCIE	
O=C(COc1ccc(F)cc1F)N1CC(S(=O)(=O)F)C1	1968215949	PUXFHPZDPZJECM-UHFFFAOYSA-N	309.265	0.854	70	10	DCIE	
Cc1ccc(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)s1	2078990296	IATLAQBAWLTFTK-UHFFFAOYSA-N	313.397	0.976	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C(COC)COC	2125943050	PZVNXLLYQGTMRK-UHFFFAOYSA-N	312.775	0.791	70	10	DCIE	
Cc1ccc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)c(O)n1	2144732326	DRNYUBHYJQEGTF-VIFPVBQESA-N	302.327	1.000	70	10	DCIE	
CO[C@@H](C(=O)N1CC(CCS(=O)(=O)F)C1)[C@@H]1CCCO1	2199696191	GVKDWQIVRPSSBO-WDEREUQCSA-N	309.359	0.328	70	10	DCIE	
O=C([C@@H]1COC2(CCC2)CO1)N1CC[C@H](S(=O)(=O)F)C1	2364157204	ODTQJDDURQZHEN-UWVGGRQHSA-N	307.343	0.225	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1c1ccnc(C(N)=S)c1	159806347	ZCAYRHYXUIPKRF-LBPRGKRZSA-N	308.407	0.447	70	10	DCIE	
CCCCOCCOC[C@H](O)CNC[C@@]1(OC)CCOC1	160276385	WLEDRUGQGBDDLL-CABCVRRESA-N	305.415	0.576	70	10	DCIE	
O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H](c1ccco1)N1CCCC1	160397452	LIGLLJQHZQYIMI-QWRGUYRKSA-N	320.349	0.131	70	10	DCIE	
Cc1cccc(-n2cc(C(=O)N[C@@H](C)Cn3cncn3)nn2)c1	160464139	JBJRSUKNDGGRRL-LBPRGKRZSA-N	311.349	0.986	70	10	DCIE	
CC1(C)[C@@H]2OCC[C@@H]2[C@]1(N)C(=O)NCCOCC(F)(F)F	160529716	BHURUDSWONDXRE-RWEMILLDSA-N	310.316	0.824	70	10	DCIE	
CCNc1cc(N2CCOC[C@@H]2C(=O)NC)nc(SC)n1	160537173	HWZJMLDPAUIELN-SECBINFHSA-N	311.411	0.582	70	10	DCIE	
C[C@](O)(CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1	161062896	SBWWVAZXFSLOBQ-CJNGLKHVSA-N	315.377	0.800	70	10	DCIE	
CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C	161130497	RMIUSCAYQUXYAH-QWHCGFSZSA-N	319.471	0.503	70	10	DCIE	
CS(=O)(=O)Nc1ccc(NC(=O)N(C=O)CCCN)cc1	217282800	RQKAGOXSKCAPSZ-UHFFFAOYSA-N	314.367	0.397	70	10	DCIE	
Cc1nn(CCN2CCOC2=O)c(C)c1S(=O)(=O)Cl	403276403	UILZKPKTFCEGCF-UHFFFAOYSA-N	307.759	0.880	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CO[C@@H](C)[C@H]2C)c1S(=O)(=O)Cl	405554877	BUOPWHINMHNAKZ-MHSYXAOVSA-N	321.786	0.799	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CCN(C)C1=O	692743874	XCDUJAGCCXKPGM-QMMMGPOBSA-N	305.787	0.851	70	10	DCIE	
C=CCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1C1CC1	704281970	ZKUKITAHNVZDKA-UHFFFAOYSA-N	303.771	0.990	70	10	DCIE	
C#C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCOCC1	1121095003	NLUYGVNFIZAXGS-LLVKDONJSA-N	314.338	0.831	70	10	DCIE	
CO[C@@H](C)CNC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1716452752	ASXQNRJKCSCQIR-IUCAKERBSA-N	321.374	0.416	70	10	DCIE	
O=C(c1cn(C2CC2)nn1)N1CCC[C@H](S(=O)(=O)F)C1	1968234547	CTGBNGFAMNVKLV-VIFPVBQESA-N	302.331	0.517	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1CC[S@@](C)=O	2062003049	YPSLTBFFQLDJNA-QGZVFWFLSA-N	314.816	0.726	70	10	DCIE	
COCc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)no1	2144733640	SALVNIKJTRDKQF-SECBINFHSA-N	306.315	0.725	70	10	DCIE	
Cc1[nH]nc(C(=O)NCC23CC(CO2)C3)c1S(=O)(=O)Cl	2145373096	XWMQYYLYTKXYDO-UHFFFAOYSA-N	319.770	0.554	70	10	DCIE	
Fc1cc([B-](F)(F)F)cnc1N1CC(N2CCOCC2)C1	2172790802	XDJPXIVBMJGNJG-UHFFFAOYSA-N	304.076	0.796	70	10	DCIE	
COc1nc(N2CC(C)(C[S@](C)=O)C2)ncc1[B-](F)(F)F	2186352795	XQYWZJRAYLPTOY-NRFANRHFSA-N	322.141	0.744	70	10	DCIE	
O=C(CCOCC(F)F)N[C@@H]1CCN(S(=O)(=O)F)C1	2271491425	IXNQMFCVYURMDN-SSDOTTSWSA-N	304.290	0.063	70	10	DCIE	
COc1cc(C(=O)NC2CN(S(=O)(=O)F)C2)ccc1F	2284151873	VHGIRQRSDMKZFY-UHFFFAOYSA-N	306.290	0.463	70	10	DCIE	
Cc1ncnc(N(C)[C@H]2COC3(COC3)C2)c1[B-](F)(F)F	2286259331	KHDMYIJQNIOYFE-SECBINFHSA-N	302.085	0.834	70	10	DCIE	
NC(=S)c1ccc(N2CCOC[C@H]2C(=O)NC2CC2)nc1	159807714	GBZFNADCHJZZBB-NSHDSACASA-N	306.391	0.200	70	10	DCIE	
COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](N(C)C)C1)CC2	160800450	FEUFUFUBDSMOLT-NEPJUHHUSA-N	322.413	0.085	70	10	DCIE	
CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CCc2ncnn2C1	161174786	FXZUBCHEIJIGDV-CYBMUJFWSA-N	308.430	0.822	70	10	DCIE	
Cc1nn(CCN2CCOCC2)c(C)c1S(=O)(=O)Cl	215760130	UZGMVTAJXUYMOJ-UHFFFAOYSA-N	307.803	0.760	70	10	DCIE	
CC(C)(C)OC(=O)N[C@@H](CO)C(=O)On1nnc2ccccc21	238202843	GFTDOPNJFYSZFW-JTQLQIEISA-N	322.321	0.272	70	10	DCIE	
CC(C)(C)C#CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	302280275	UMBXJEPCACUZIG-UHFFFAOYSA-N	304.755	0.926	70	10	DCIE	
C[C@H](CN(C)CCCO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1322243035	BKSFJNVMCCMWAB-SECBINFHSA-N	321.374	0.105	70	10	DCIE	
C#Cc1cc(OS(=O)(=O)F)cc(CN2CCNCC2)c1C	1887515081	OFLVOKZYTCWKPF-UHFFFAOYSA-N	312.366	0.975	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1Cc1noc(C)n1	2125952885	BZVWVMCVQRCRPW-UHFFFAOYSA-N	306.731	0.697	70	10	DCIE	
O=C(N[C@]12COC[C@H](C1)C2)c1cc(S(=O)(=O)Cl)c[nH]1	2273037703	CPLWWWVYYLZJAT-AGGWVSIMSA-N	304.755	0.851	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1C[C@H]2CO[C@H]1C2	2286252433	OWNOSAHNPJCEQQ-ZOFUNIGCSA-N	318.782	0.860	70	10	DCIE	
Cc1cnc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c(C)c1	2287076392	RUZNHYKKTQMVQH-JTQLQIEISA-N	301.343	0.717	70	10	DCIE	
CCC[C@H](CN)Nc1cnn(CCN(C)C)c(=O)c1Cl	159595243	QEJICCYIJFAQDP-SNVBAGLBSA-N	301.822	0.998	70	10	DCIE	
NC(=S)c1ccc(N2CCOC[C@@H]2C(=O)NC2CC2)nc1	159807562	GBZFNADCHJZZBB-LLVKDONJSA-N	306.391	0.200	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2c(N)cccc2F)CCOC1	159911935	RZFKVCOFUARIEG-GFCCVEGCSA-N	304.343	0.492	70	10	DCIE	
CCNC(=O)C1CN(C(=O)CCCNC(=O)c2cccnc2)C1	160045385	AJVHTANGIYZTED-UHFFFAOYSA-N	318.377	0.186	70	10	DCIE	
Cc1cc(C)n2nc(C(=O)N3C[C@@H]4CCC[C@H](C3)N4)nc2n1	160612288	DSNYKDNIUGLDRE-TXEJJXNPSA-N	300.366	0.708	70	10	DCIE	
CNC(=O)Cn1cc(NC(=O)N[C@H]2CCN(CC3CC3)C2)cn1	160617787	UYXXQMITOPXDPH-LBPRGKRZSA-N	320.397	0.235	70	10	DCIE	
C[C@@H]1CCN(CCn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1	692880630	ALVBPRABWHZFFW-MRVPVSSYSA-N	321.786	0.218	70	10	DCIE	
CS(=O)(=O)N1CC[C@H](CC2(S(=O)(=O)Cl)CC2)C1	696310624	UKXJXQZYBDQATA-MRVPVSSYSA-N	301.817	0.759	70	10	DCIE	
C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H](C)C1=O	1263860961	MJTHTOACGDVWGG-HTQZYQBOSA-N	302.327	0.970	70	10	DCIE	
CC[C@H](CCCN(C)C1CS(=O)(=O)C1)S(=O)(=O)Cl	2037946472	XGQRNTPSZYMNQO-SNVBAGLBSA-N	317.860	0.843	70	10	DCIE	
C[C@@H]1CS(=O)(=O)CCN1c1ncc([B-](F)(F)F)cc1F	2116157974	NDVKIDNRRCXZLB-SSDOTTSWSA-N	311.089	0.898	70	10	DCIE	
CO[C@@H]1CN(c2ncc([B-](F)(F)F)c(C)n2)[C@H]2COC[C@@H]12	2172766290	DVGWIDGQDOBOAX-DVVUODLYSA-N	302.085	0.689	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cc(O)ccc1F	2287074194	CCRQEENOXMLUTA-SSDOTTSWSA-N	306.290	0.550	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1Cc1nnc(C)n1C	215860634	TYAWYGLVNKCXKT-UHFFFAOYSA-N	303.775	0.858	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2O3)c1S(=O)(=O)Cl	133538274	UGGQRRFOMNZQCM-CSMHCCOUSA-N	319.770	0.695	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2C[C@H](C)CO2)c1S(=O)(=O)Cl	2166247865	CLFZFFKMYKUSCW-XPUUQOCRSA-N	321.786	0.800	70	10	DCIE	
COCn1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1	1638669425	NEFXGRXEJGRGKT-UHFFFAOYSA-N	302.287	0.726	70	10	DCIE	
C[C@H]1CC[C@@H](C(N)=O)CN1CCN1C(=O)NC2(CCCC2)C1=O	160533377	XIHHCNIWMORWJO-NWDGAFQWSA-N	322.409	0.437	70	10	DCIE	
CC(C)(C)n1c(C[C@H]2COCCO2)nnc1S(=O)(=O)Cl	1916704812	WOEYQTZVYCWUKU-QMMMGPOBSA-N	323.802	0.919	70	10	DCIE	
CC(=O)c1cc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)n(C)c1	2144733509	QQENRCCOJWZGGG-JTQLQIEISA-N	302.327	0.742	70	10	DCIE	
CC(C)(C)[C@@H]1CCN(C(=O)C[C@H]2CS(=O)(=O)CCN2)C1	159550633	VIQBHDXKJLBXIX-NEPJUHHUSA-N	302.440	0.658	70	10	DCIE	
CCCn1ncc(N(C)C[C@H]2CNCCO2)c(Cl)c1=O	159855084	XPINIAODGKPDQT-SNVBAGLBSA-N	300.790	0.731	70	10	DCIE	
CNc1cc(S(=O)(=O)NC[C@]2(OC)CCOC2)ccn1	161203006	YYWFIIKRJOJYMB-GFCCVEGCSA-N	301.368	0.207	70	10	DCIE	
CO[C@H]1CN(C(=O)c2cc(S(=O)(=O)Cl)cn2C)C[C@@H]1F	2146485923	ZHDGPFDSPWECNX-WPRPVWTQSA-N	324.761	0.762	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1CC[C@H]1CCOC1	401096009	FGHWOIITRRSGHO-ZETCQYMHSA-N	308.743	0.303	70	10	DCIE	
CO[C@@H]1CN(c2ncc([B-](F)(F)F)c(C)n2)[C@@H]2COC[C@H]12	2172766293	DVGWIDGQDOBOAX-JMJZKYOTSA-N	302.085	0.689	70	10	DCIE	
CS(=O)(=O)C1CCN(CCCCS(=O)(=O)Cl)CC1	689063126	XFROZCZRJPWTGP-UHFFFAOYSA-N	317.860	0.844	70	10	DCIE	
CN1CC[C@@H]1CNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	712299171	MDPDUUYFQNUXOY-SECBINFHSA-N	322.383	0.327	70	10	DCIE	
CCN(CC)C(=O)Cn1cc(S(=O)(=O)Cl)nc1COC	2182344478	UDJFRGYKXVOFBP-UHFFFAOYSA-N	323.802	0.825	70	10	DCIE	
O=C(CN1CCOCC1=O)Nc1ccc(S(=O)(=O)F)cc1	279463696	DKCLWGUPDUYOOX-UHFFFAOYSA-N	316.310	0.142	70	10	DCIE	
O=C(C[C@@H]1CCC1(F)F)N[C@H]1CCN(S(=O)(=O)F)C1	2335412001	YIHPCAGEAXZKKE-YUMQZZPRSA-N	300.302	0.827	70	10	DCIE	
CCCCNC(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1	217304868	DGNOSNPXCSXFFD-GFCCVEGCSA-N	305.444	0.547	70	10	DCIE	
Cc1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)F)nc2)[nH]1	2166518815	IXFWPEIGXYHLPJ-UHFFFAOYSA-N	320.327	0.572	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C1CC(C(F)(F)F)C1	1974057803	ACTBYLZGDWHBGQ-UHFFFAOYSA-N	318.292	0.837	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ncc(F)cc3[B-](F)(F)F)C[C@@H]2C1	2188591081	WGEYIVZPGHUMTK-OCAPTIKFSA-N	323.100	0.756	70	10	DCIE	
O=C(CN1C(=O)CNC1=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2194122964	DSHVGRKPCPXSHV-RDDDGLTNSA-N	304.057	0.378	70	10	DCIE	
CC(C)N(C)CCCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2186344676	KNUXVUQVLXFIRU-UHFFFAOYSA-N	323.802	0.607	70	10	DCIE	
Cc1ncc(OC[C@@H]2CCS(=O)(=O)N2)cc1[B-](F)(F)F	2092460751	UITUZOIMVJMTRO-QMMMGPOBSA-N	309.098	0.515	70	10	DCIE	
O=C([C@H]1C[C@H]2COC[C@H](C2)C1)N1CC[C@@H](S(=O)(=O)F)C1	2206846433	WLZBDAWVODNJAN-WRWGMCAJSA-N	305.371	0.949	70	10	DCIE	
O=S(=O)(NC1CN(S(=O)(=O)F)C1)c1ccccc1F	2268773112	PRMSQCIJRJBBMZ-UHFFFAOYSA-N	312.319	0.003	70	10	DCIE	
Cc1cc(C(=O)NC2CN(S(=O)(=O)F)C2)c(F)cc1F	2284151829	UXTOAIZJRQFQGU-UHFFFAOYSA-N	308.281	0.902	70	10	DCIE	
CNS(=O)(=O)c1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1	105764401	FVABDYAOYRNWQS-UHFFFAOYSA-N	314.728	0.430	70	10	DCIE	
O=C(Nc1cnn(CC2CCOCC2)c1)c1ccc(=O)[nH]n1	218199493	AXKNITURFNHVCZ-UHFFFAOYSA-N	303.322	0.645	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1[C@@H]1CCCNC1=O	691842173	QMCTVVVQHVODIL-ZCFIWIBFSA-N	322.730	0.478	70	10	DCIE	
C[C@@]1(C#N)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1	1617894877	IJMQMNODTWTKFA-LLVKDONJSA-N	301.299	0.428	70	10	DCIE	
COCCNCCn1nnnc1SC[C@H]1CCC(C)(C)O1	161051956	HQBCMEZZGYDHAT-LLVKDONJSA-N	315.443	0.959	70	10	DCIE	
Cc1n[nH]c(CN(C)S(=O)(=O)c2cc(N)cc(C)c2F)n1	159532600	OJHQTCIRPVHHAV-UHFFFAOYSA-N	313.358	0.964	70	10	DCIE	
Cn1cc(C=CC(=O)N2CCC(S(=O)(=O)F)CC2)cn1	1968218839	ZKQWWZQUWBXARF-UHFFFAOYSA-N	301.343	0.724	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1CCCC1(F)F	1974055559	SKGBVSUQHVRLFH-MRVPVSSYSA-N	300.302	0.684	70	10	DCIE	
Cc1cc(C)c(NS(=O)(=O)CCS(C)(=O)=O)cc1N	159642021	GCPCBWCLCNETGO-UHFFFAOYSA-N	306.409	0.672	70	10	DCIE	
CCCn1cc(S(=O)(=O)N(C)[C@H](CN)C2CC2)nc1C	159959843	HRHJQGNBSGZMJK-GFCCVEGCSA-N	300.428	0.959	70	10	DCIE	
C[C@H]1C[C@H](CC(=O)Nc2nn(C)cc2S(=O)(=O)F)CO1	2159413927	SPTFFSVDNGZLCI-JGVFFNPUSA-N	305.331	0.832	70	10	DCIE	
Cc1nc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)ncc1[B-](F)(F)F	2172770046	FVWTUZBQBMJTKV-PSASIEDQSA-N	320.125	0.463	70	10	DCIE	
Cc1ncnc(N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1[B-](F)(F)F	2172758224	MYHDYSSYFIAYEC-IUCAKERBSA-N	322.141	0.851	70	10	DCIE	
CN(C[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21)c1ncc([B-](F)(F)F)cn1	2174650674	XVXDTGSZKXNQKC-ILWJIGKKSA-N	320.125	0.258	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@@H]1CCOC1	115016603	LSEUOIHYJRPYRT-QMMMGPOBSA-N	306.771	0.719	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cccc(F)c2N)CCOC1	159914799	ALRIDBRBDKUZME-LBPRGKRZSA-N	304.343	0.492	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1[C@@H](CCC)C(=O)OCC	160044226	UIBKGOQXRQSCRH-QWHCGFSZSA-N	300.399	0.945	70	10	DCIE	
CN([C@H]1CCOC1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	166225018	WHJXSKPEZHWWAL-VIFPVBQESA-N	323.367	0.754	70	10	DCIE	
CC[C@@H]1COC[C@@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	699751822	LVUURCWOUGDEGE-SFYZADRCSA-N	321.786	0.800	70	10	DCIE	
CC1(C)C[C@@H](CC(=O)NCC2CN(S(=O)(=O)F)C2)CO1	1974055200	NUUDPNZCENQSTN-SECBINFHSA-N	308.375	0.454	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@H]2CCCOC2)c1S(=O)(=O)Cl	2096214226	AXMKXMVSQGNVQB-ZETCQYMHSA-N	308.743	0.981	70	10	DCIE	
O=C(Nc1ccccc1S(=O)(=O)F)C1CS(=O)(=O)C1	2097402938	FZUOUUXQDWHCJL-UHFFFAOYSA-N	307.324	0.328	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CCCN(C)C1=O	2097920760	OQASAFBECBLROR-VIFPVBQESA-N	305.787	0.987	70	10	DCIE	
O=S1(=O)C[C@@H]2[C@@H](CCN2c2ncc(F)cc2[B-](F)(F)F)C1	2188590811	REGJQCUUPHBLBX-OIBJUYFYSA-N	323.100	0.898	70	10	DCIE	
C[C@@H]1OCC[C@H]1CC(=O)Nc1nn(C)cc1S(=O)(=O)F	2196351547	DNPVAUBAQRLORD-YUMQZZPRSA-N	305.331	0.832	70	10	DCIE	
CCC1(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CC1	2259007592	HVFUXZLXFXGWCN-QMMMGPOBSA-N	300.377	0.137	70	10	DCIE	
CSc1ncccc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287081029	XZPTXIWHZNEFAJ-MRVPVSSYSA-N	319.383	0.822	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)n1	2361647859	JLNNFRIGFLXQGF-DTWKUNHWSA-N	320.125	0.381	70	10	DCIE	
CCOc1ccccc1OCNC(=O)NCCN1CCNCC1	217289624	FXYDWWPNKZGHPF-UHFFFAOYSA-N	322.409	0.626	70	10	DCIE	
O=S(=O)(NC1CN(S(=O)(=O)F)C1)[C@H]1CCCC[C@@H]1F	2268783131	TYNTXFXEACRBKS-IUCAKERBSA-N	318.367	0.085	70	10	DCIE	
O=C(N[C@H]1C[C@@H](O)C12CCC2)c1cc(S(=O)(=O)F)c[nH]1	1123818696	AMJVZLZPMRGGPE-VHSXEESVSA-N	302.327	0.706	70	10	DCIE	
CCc1cnc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[nH]1	1177875704	SFDLQNJBCDEWJD-UHFFFAOYSA-N	300.315	0.888	70	10	DCIE	
C[C@@H](CNCCCO)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1715359850	IQOAUTOSPPBSNY-VIFPVBQESA-N	321.374	0.105	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CC(=O)N[C@@H](C)COC	215803766	WQEHRXNONNXAHI-QMMMGPOBSA-N	323.802	0.524	70	10	DCIE	
O=[N+]([O-])c1ccc(N2CC[C@H](O)C2)c(CS(=O)(=O)F)c1	1650731434	RUVGQTCOFOKDPX-JTQLQIEISA-N	304.299	0.965	70	10	DCIE	
C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC1CC1	1690623226	ITRKOCCKXGCQKZ-QMMMGPOBSA-N	303.359	0.791	70	10	DCIE	
CCNc1ncccc1S(=O)(=O)NC[C@]1(OC)CCOC1	161204161	BAQKBVNGOPTNTH-CYBMUJFWSA-N	315.395	0.597	70	10	DCIE	
C[C@H](Cn1cncn1)NC(=O)N1CCCN(CC(F)F)CC1	161421304	VPPAEQSGCAJWMI-LLVKDONJSA-N	316.356	0.649	70	10	DCIE	
CN(C)CCn1ncc(N(C)[C@@H](CN)C2CC2)c(Cl)c1=O	160049205	ZYYRPCBRGMCSFO-NSHDSACASA-N	313.833	0.632	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)Cc2cccc(CN)c2)CCOC1	160170336	XXTWTSZMWMYKEC-CQSZACIVSA-N	314.407	0.370	70	10	DCIE	
CC[C@H](C#N)S(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	1923191550	HNQPEHRYLDFYIX-ZCFIWIBFSA-N	310.332	0.122	70	10	DCIE	
CO[C@@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C1	1974001546	VVQYKZZSBJWCEJ-GHMZBOCLSA-N	308.375	0.550	70	10	DCIE	
O=C([C@@H]1C(F)(F)C12CCC2)N1CCN(S(=O)(=O)F)CC1	1974015189	QNNWOINDFMRYDY-QMMMGPOBSA-N	312.313	0.780	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2ccc(CN)s2)CCOC1	160674756	VMWRZGITYPYAEQ-NSHDSACASA-N	306.409	0.291	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@@H]2C(F)(F)F)[nH]1	2156846370	WPJNJGBAOKQIAZ-UHNVWZDZSA-N	315.248	0.637	70	10	DCIE	
Cc1cnc(N2C[C@@H]3OCCN(C)[C@H]3C2)c([B-](F)(F)F)c1	2172789359	DWNKRHHOELLXKD-RYUDHWBXSA-N	300.113	0.964	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NCC1[C@@H]2COC[C@@H]12	385911001	HTTKWLPQOYRELD-UWVGGRQHSA-N	318.782	0.575	70	10	DCIE	
C[C@H](OC(C)(C)C)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2192189036	FKLPLWGBKKOOMN-ZETCQYMHSA-N	307.347	0.642	70	10	DCIE	
Cn1c(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)cnc1Cl	2088472437	QNSXZDIBWKAUBO-SSDOTTSWSA-N	309.750	0.977	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cccnc1Cl	2271502469	JKERJBBSEQZXRH-ZETCQYMHSA-N	307.734	0.753	70	10	DCIE	
CCNC(=O)CN(C)S(=O)(=O)c1cc(N)cc(C)c1F	159484789	RHSCASFJJMQSKE-UHFFFAOYSA-N	303.359	0.473	70	10	DCIE	
Cc1nc(C(=O)NCCCN2C[C@H](C)O[C@H](C)C2)c(=O)[nH]c1C	159538271	WTTXIFKADDXFIH-PHIMTYICSA-N	322.409	0.616	70	10	DCIE	
Cc1noc([C@@H]2COCCN2CCCNC(=O)C(F)(F)F)n1	161125820	NMFTZPSJAKXQQI-VIFPVBQESA-N	322.287	0.820	70	10	DCIE	
C[C@@H]([C@@H](Cc1cncc(Br)c1)NN)S(C)(=O)=O	161156563	TZUFICHVWHMCLP-OIBJUYFYSA-N	322.228	0.652	70	10	DCIE	
O=C(NC1CCS(=O)(=O)CC1)c1ccc2c(c1)CNCC2	217092022	BFWUGLRARVKDGB-UHFFFAOYSA-N	308.403	0.639	70	10	DCIE	
CCN(C)C(=O)CNS(=O)(=O)c1c(F)cc(N)cc1F	218119124	YYTCVZIDIFRKIH-UHFFFAOYSA-N	307.322	0.304	70	10	DCIE	
CCCn1nnnc1Cn1cc(S(=O)(=O)Cl)nc1C	698619413	VGGQUBNIYHUPAV-UHFFFAOYSA-N	304.763	0.564	70	10	DCIE	
CN(c1ncc(F)cc1[B-](F)(F)F)[C@@H]1CCS(=O)(=O)C1	2132073935	RPLUZCMLSSYPKK-MRVPVSSYSA-N	311.089	0.898	70	10	DCIE	
O=C(C[C@H]1COCCO1)Nc1ccc(S(=O)(=O)F)nc1	2166530342	GIJIGVQGOLUVAS-VIFPVBQESA-N	304.299	0.484	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1snc2ccccc12	2284152464	XTRWDBYOWOUXTQ-UHFFFAOYSA-N	315.351	0.925	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(O[C@H]2CCN(S(C)(=O)=O)C2)n1	2285598816	FGZPHMLNDQSTRM-QMMMGPOBSA-N	324.113	0.252	70	10	DCIE	
COC[C@H](CC(C)C)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287073966	ZWIMLMLRBYVSPG-QWRGUYRKSA-N	310.391	0.700	70	10	DCIE	
CN(C[C@H]1CCO1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	2366930797	UIVSNWSTKQKERP-SECBINFHSA-N	323.367	0.754	70	10	DCIE	
CCN(CC(=O)NC)S(=O)(=O)c1cc(N)cc(C)c1F	159469541	RGOZNIXAARGMSE-UHFFFAOYSA-N	303.359	0.473	70	10	DCIE	
COC(=O)[C@H](C)CS(=O)(=O)NC[C@H]1CCCN1CC(C)C	160291048	OYKBZKORZDIRPJ-CHWSQXEVSA-N	320.455	0.835	70	10	DCIE	
COC(=O)C1CCC(OCC(=O)NC(=O)NC(C)C)CC1	160513742	AMZCIKJAGIUXGM-UHFFFAOYSA-N	300.355	0.969	70	10	DCIE	
CC(C)C[C@@H](C)OC[C@H](O)CN[C@@]1(C)CCS(=O)(=O)C1	218520622	WVWXKCPYGKFRFG-MCIONIFRSA-N	307.456	0.965	70	10	DCIE	
COc1cc(C(=O)NC2(C(N)=O)CC2)ccc1S(=O)(=O)F	1533767703	DUSNWVJQASGMOI-UHFFFAOYSA-N	316.310	0.101	70	10	DCIE	
CN(Cc1c(Br)nnn1C)S(=O)(=O)Cl	1934962070	VTRSCDYUSQHACE-UHFFFAOYSA-N	303.569	0.493	70	10	DCIE	
CCOc1nc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)co1	1968236086	SEDJVEGLCUZKFM-MRVPVSSYSA-N	306.315	0.977	70	10	DCIE	
CO[C@@H](c1nnc(S(=O)(=O)Cl)n1C)[C@@H]1CCCOC1	2093880732	XOWRSBZDEFFKNS-HTQZYQBOSA-N	309.775	0.857	70	10	DCIE	
CS(=O)(=O)C[C@H]1CCCN1c1ncncc1[B-](F)(F)F	2116140012	HHCBSNAPADMCRS-MRVPVSSYSA-N	308.114	0.544	70	10	DCIE	
CCN(C)CCCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2129776190	SQQSAOXMBDWSPQ-UHFFFAOYSA-N	309.775	0.218	70	10	DCIE	
C[C@@H]1CC[C@H](CCn2cc(S(=O)(=O)Cl)c(O)nc2=O)O1	2161164056	LKHKRLZLEMZPEC-HTQZYQBOSA-N	322.770	0.834	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C[C@@H]1C(F)(F)F	2169024229	DLSGTQZAHIULQF-SFYZADRCSA-N	318.292	0.980	70	10	DCIE	
Cc1nc(N2CCO[C@@H](CN(C)C)C2)ncc1[B-](F)(F)F	2172758048	KXPFWOPXOAUFRZ-JTQLQIEISA-N	303.117	0.606	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)C[C@H]2CCS(=O)(=O)C2)n1	2172767660	WZMJJDZGRXRJHA-SECBINFHSA-N	322.141	0.710	70	10	DCIE	
COC[C@@]1(C)C[C@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	2284685153	YYOFLQYPLHFFLQ-CMPLNLGQSA-N	308.375	0.454	70	10	DCIE	
CC(C)(C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCCO1	2287077805	MPZHPGJUDHGVRP-ZJUUUORDSA-N	308.375	0.596	70	10	DCIE	
C[C@H]1CC(OC(=O)NS(=O)(=O)Cl)C[C@H](C)S1(=O)=O	2327532348	VLGCEBHJGCXLES-WDSKDSINSA-N	319.788	0.550	70	10	DCIE	
CC(C)Cn1ncc(NC[C@@H]2CNCCO2)c(Cl)c1=O	159976943	DZGYKUISPTYNFJ-JTQLQIEISA-N	300.790	0.953	70	10	DCIE	
O=C(N[C@H]1CCCN(c2ccccc2)C1=O)[C@@H]1CSCN1	160141321	DDMYZERPSVXRLK-STQMWFEESA-N	305.403	0.961	70	10	DCIE	
COC(=O)CN(CC(=O)OC)C(=O)c1cccc(N)c1Cl	160309459	XFUCWJVTPPMIME-UHFFFAOYSA-N	314.725	0.710	70	10	DCIE	
Cc1c(C(=O)NCCOC(C)C)cc(F)cc1S(N)(=O)=O	161480907	XHRNGAVSEKPARF-UHFFFAOYSA-N	318.370	0.936	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@@]12COC[C@H]1C2	689330232	RKCNZLCHIRTKGW-PELKAZGASA-N	318.782	0.719	70	10	DCIE	
CN1CC[C@H](Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)C1=O	692742000	MVSNITCSQJNOEI-ZCFIWIBFSA-N	322.730	0.197	70	10	DCIE	
CC(C)C[C@@H](C(N)=O)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1175648106	MAXLYEZNFHEPIK-JTQLQIEISA-N	319.358	0.645	70	10	DCIE	
Cc1ncc(S(=O)(=O)N2CCC(S(=O)(=O)F)CC2)[nH]1	2088469076	JKIYOXSLQJDPKA-UHFFFAOYSA-N	311.360	0.171	70	10	DCIE	
CCn1c([C@@H]2Cc3nnc(C)n3C2)nnc1S(=O)(=O)Cl	2167748320	PQZYURCVGYOHSX-SSDOTTSWSA-N	316.774	0.465	70	10	DCIE	
O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC(S(=O)(=O)F)C1	2199683133	UIBPFTIISWEUNS-UHFFFAOYSA-N	306.246	0.858	70	10	DCIE	
O=C([C@@H]1C[C@@H]1C1CCOCC1)N1CC[C@@H](S(=O)(=O)F)C1	2200091268	OKHUOKFXUVIMLA-IJLUTSLNSA-N	305.371	0.949	70	10	DCIE	
Cc1ccc(OCC(=O)NC2CN(S(=O)(=O)F)C2)cc1	2284149599	DVJODVOFYXSWQS-UHFFFAOYSA-N	302.327	0.389	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@@]2(C1)CC2(F)F	2284151780	SUKPENWKBAEYNI-GMSGAONNSA-N	312.313	0.827	70	10	DCIE	
COCCn1c([C@H]2OCC[C@H]2C)nnc1S(=O)(=O)Cl	133332000	YIUGBTGRGYKJBM-SFYZADRCSA-N	309.775	0.950	70	10	DCIE	
O=[N+]([O-])c1nn(CCOCCF)cc1S(=O)(=O)Cl	2224102909	FJITYWHSXQGXJJ-UHFFFAOYSA-N	301.683	0.705	70	10	DCIE	
CC(C)(C)OC(=O)N1CC2(CCOCCN2S(=O)(=O)F)C1	1956498601	QGSPRYAXQXDSTQ-UHFFFAOYSA-N	324.374	0.913	70	10	DCIE	
O=C(N[C@@H]1C[C@]12CCOC2)c1cc(S(=O)(=O)Cl)c[nH]1	1896356486	BSUADSFKIGUJKJ-KOLCDFICSA-N	304.755	0.851	70	10	DCIE	
COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1439219207	IMAUEWIOIAIRAY-HTRCEHHLSA-N	304.299	0.212	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ccc([B-](F)(F)F)cn3)C[C@@H]2C1	2116144840	KMWWMIXQROAYLA-DTORHVGOSA-N	305.110	0.617	70	10	DCIE	
C[C@H](O)[C@H](O)CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	1559247190	GFONAHBPRIOFLB-WRWORJQWSA-N	322.314	0.548	70	10	DCIE	
CCN(CCCNC(C)=O)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1492890421	RBJYXZNTKZEOCI-UHFFFAOYSA-N	319.358	0.661	70	10	DCIE	
CC(C)[C@@H]1CC[C@@H](O)[C@@H](N2CCN(S(C)(=O)=O)CC2)C1	217967632	XPLIYJNRMLNAFE-HZSPNIEDSA-N	304.456	0.749	70	10	DCIE	
COC(=O)CCc1nnc(NC(=O)CCNC(C)C)s1	161060454	FSFNJDBDDRLRTE-UHFFFAOYSA-N	300.384	0.970	70	10	DCIE	
C[C@H](CO)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	160360941	QKPUBQOXVITKQF-GHMZBOCLSA-N	314.407	0.684	70	10	DCIE	
COc1ccc(C)cc1N1C[C@H](C(=O)NC2(CO)CC2)CC1=O	160546380	MHSQQBNMGPMKEZ-GFCCVEGCSA-N	318.373	0.998	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(C)[C@H]2CCCN(C)C2)cc1N	159617155	QIDKHMXPUDYMPI-LBPRGKRZSA-N	312.439	0.707	70	10	DCIE	
COC(=O)c1cc(N)ccc1S(=O)(=O)NCCOC(C)C	159879040	CWVNRHPZUIDDBM-UHFFFAOYSA-N	316.379	0.759	70	10	DCIE	
CCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(N)cc(C)c1F	159499500	AQUIFGAAAKNLAU-VIFPVBQESA-N	317.386	0.909	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccccc1F	159521671	XXICMFCJIQATKA-NSHDSACASA-N	316.354	0.351	70	10	DCIE	
Cc1nc(C(=O)N2CCN(S(=O)(=O)F)CC2)c(C)s1	1974001132	NRSUHHNJSCHRNQ-UHFFFAOYSA-N	307.372	0.732	70	10	DCIE	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NC2COC2)c1C	159706182	INAYPWSEEMZIRQ-UHFFFAOYSA-N	302.352	0.485	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)c1cc(F)ccc1N	159846482	DSZIYILPHDWQPO-UHFFFAOYSA-N	303.359	0.601	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CC[C@H](C)OC2)c1S(=O)(=O)Cl	401390565	NMUDQYFZCQCCSY-POYBYMJQSA-N	321.786	0.943	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1[C@@H]2[C@@H]1CCCC2(F)F	2284142972	RMWANMRMQIVMRJ-HLTSFMKQSA-N	312.313	0.683	70	10	DCIE	
CCO[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2287066286	APOMHXKQELQATJ-GARJFASQSA-N	308.375	0.596	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1CC12CCOCC2	2287075484	DDSPQIXOWHJRPW-VHSXEESVSA-N	306.359	0.208	70	10	DCIE	
CN(CCCS(=O)(=O)Cl)[C@H]1CC[C@H](S(C)(=O)=O)C1	2314938298	NAMRKSHICBNHRM-UWVGGRQHSA-N	317.860	0.843	70	10	DCIE	
O=C(C[C@@H]1CCC1(F)F)N[C@@H]1CCN(S(=O)(=O)F)C1	2335411999	YIHPCAGEAXZKKE-JGVFFNPUSA-N	300.302	0.827	70	10	DCIE	
CO[C@H]1CN(c2ncc([B-](F)(F)F)c(C)n2)[C@@H]2COC[C@@H]21	2355241027	DVGWIDGQDOBOAX-GDPRMGEGSA-N	302.085	0.689	70	10	DCIE	
Cc1nc(C(=O)NCc2nnc3n2CCCCC3)c(=O)[nH]c1C	159453139	VRQNPFNNJACJBU-UHFFFAOYSA-N	316.365	0.635	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N2CCN(C)C(=O)C2)c1F	159534661	NBTONHNDHJMQJB-UHFFFAOYSA-N	301.343	0.179	70	10	DCIE	
CS(=O)(=O)N1CCN(C(=O)CC[C@H]2CCC[C@@H](N)C2)CC1	161022545	BMTDWBXIBKNFRY-CHWSQXEVSA-N	317.455	0.388	70	10	DCIE	
O=C(NC[C@@H](O)c1ccccc1)N[C@@H]1CCc2ncnn2C1	161055225	AVHBSOZNYWCMHI-CHWSQXEVSA-N	301.350	0.626	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H]1C(=O)NC	161086363	YOEAYCPJRVYXRX-SNVBAGLBSA-N	308.338	0.221	70	10	DCIE	
COCCn1c(C2[C@H]3COC[C@H]23)nnc1S(=O)(=O)Cl	385600661	ZCXJHOXNXYSORA-BQBZGAKWSA-N	307.759	0.212	70	10	DCIE	
O=c1[c-](O)c2c(n1C[B-](F)(F)F)=C=C(F)C(Br)=C=2	725536587	JMBLILFYBVHEJA-UHFFFAOYSA-N	323.836	0.564	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ncccc2F)[nH]1	1925774926	FMMITVDIUXTRCB-UHFFFAOYSA-N	302.262	0.287	70	10	DCIE	
COC[C@]1(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)CCCO1	1968234834	GDKQGJVRRHGWQG-PWSUYJOCSA-N	309.359	0.472	70	10	DCIE	
CN1CCCC[C@H]1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	2146232447	ABSFQDRPBJZSGK-QMMMGPOBSA-N	321.786	0.361	70	10	DCIE	
CC(C)n1c([C@@H]2Cc3nncn3C2)nnc1S(=O)(=O)Cl	2167745663	KEIMPBCTZZAISY-SSDOTTSWSA-N	316.774	0.718	70	10	DCIE	
COc1nc(N2CCN(C)[C@H]3CC[C@H]32)ncc1[B-](F)(F)F	2172757402	AWHMOWJBIOZSGK-VHSXEESVSA-N	301.101	0.822	70	10	DCIE	
CS(=O)(=O)N[C@@H]1CCCN(c2ncncc2[B-](F)(F)F)C1	2172777175	YZSAFQTZFSYSOI-MRVPVSSYSA-N	323.129	0.049	70	10	DCIE	
Cc1nccn1[C@H](C)C(=O)N1CC(CCS(=O)(=O)F)C1	2199683517	APMBUWNRMUSHBH-SECBINFHSA-N	303.359	0.900	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1[C@H]2CCC(F)(F)[C@@H]12	2359647883	WEOGNECQVREGHB-LURQLKTLSA-N	312.313	0.683	70	10	DCIE	
NC(=S)c1ccc(N2CCOC[C@H]2C(=O)NC2CC2)cn1	159809942	LILKDGSDKWYWSS-LBPRGKRZSA-N	306.391	0.200	70	10	DCIE	
CC(C)CCC(=O)NCC(=O)NC[C@H](O)CN1CCCCC1	160018424	UCCJWZVNNQEFBS-AWEZNQCLSA-N	313.442	0.502	70	10	DCIE	
COc1ccc(NC(=O)[C@@H]2OCC[C@H]2C)cc1S(N)(=O)=O	160251348	VCHVBUIVQDBJMV-PRHODGIISA-N	314.363	0.706	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1c1nc(Cl)nc(Cl)n1	160287080	GNELPVOAQSZHCH-ZETCQYMHSA-N	320.180	0.908	70	10	DCIE	
Cc1cnn(CCNC(=O)NC[C@@H](C)CN2CCOCC2)c1	160288368	SXVITOVSEBIMDF-CYBMUJFWSA-N	309.414	0.459	70	10	DCIE	
Cn1c(=O)n(CC(=O)N2C[C@@H]3CCC[C@H](C2)N3)c2ccccc21	160515087	WGIFEWATOWTAKC-BETUJISGSA-N	314.389	0.693	70	10	DCIE	
Cc1nn(CCCO)c(C)c1S(=O)(=O)NC[C@@H]1C[C@H]1C	160758644	UKEOBHFTVXWEBZ-SKDRFNHKSA-N	301.412	0.817	70	10	DCIE	
NC(=O)NCCNC[C@@H](O)COc1cc(Cl)ccc1Cl	160991786	JPCHUKQFAIQOFV-SECBINFHSA-N	322.192	0.991	70	10	DCIE	
COCCCNC(=O)[C@H](C)n1cnc(S(=O)(=O)Cl)c1	215831250	QWFNLMOJWVJSEZ-QMMMGPOBSA-N	309.775	0.524	70	10	DCIE	
CC(C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	460098563	WTBHSVMLVUBUNV-UHFFFAOYSA-N	306.340	0.925	70	10	DCIE	
CC(C)(C)OC(=O)NC[C@@]1(C)CC(=O)N1S(=O)(=O)Cl	704201844	GTBUWEMEFGTKLZ-SNVBAGLBSA-N	312.775	0.986	70	10	DCIE	
C[C@@H](OC(=O)c1cccc(S(=O)(=O)F)c1)c1nnnn1C	1128518937	RMQWPJFZBISCEW-SSDOTTSWSA-N	314.298	0.786	70	10	DCIE	
Cn1ccc(=NC(=O)c2cccc(S(=O)(=O)F)c2)nc1O	1277812505	XTIWBVAUWCFMRD-UHFFFAOYSA-N	311.294	0.525	70	10	DCIE	
O=C(CCN1CCSC1=O)N1CCC[C@@H](S(=O)(=O)F)C1	1968226589	DUYABYDGPTYOTP-SECBINFHSA-N	324.399	0.836	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cncc(Cl)n1	1974058626	GRBQGAHEECVQGN-UHFFFAOYSA-N	308.722	0.006	70	10	DCIE	
O=S(=O)(CCC1CC1)NC1CCN(S(=O)(=O)F)CC1	2112718630	PVUDIIREDHSWMJ-UHFFFAOYSA-N	314.404	0.385	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1CC(=O)N(C)C	2125954177	QWXBBEKRKJZDOM-UHFFFAOYSA-N	309.775	0.435	70	10	DCIE	
Cc1cncc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)F)C2)c1	2144733677	SFURYUDZQDUJRF-SNVBAGLBSA-N	322.383	0.842	70	10	DCIE	
CCCCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1COC	2182343734	OYFCDXIIGTXLKJ-UHFFFAOYSA-N	323.802	0.873	70	10	DCIE	
O=C(OCC1COCCOC1)c1cc(S(=O)(=O)Cl)c[nH]1	2203708661	GZCLVSWBUJISTJ-UHFFFAOYSA-N	323.754	0.762	70	10	DCIE	
NC(=O)COCCOc1ccc(Cl)cc1S(=O)(=O)F	2232234056	OSRDUCUBRTUEPF-UHFFFAOYSA-N	311.718	0.879	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1Cc2ccccc2S1	2284152172	YAEDEEAPRCLCGU-NSHDSACASA-N	316.379	0.718	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)c1cc(N)cc(F)c1F	159842399	HATDVPJBMKKSLN-UHFFFAOYSA-N	321.349	0.740	70	10	DCIE	
CCOCCO[C@H]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C1	160176526	IAPOTHGXIOBXAH-STQMWFEESA-N	323.397	0.430	70	10	DCIE	
C[C@@H](Cn1cncn1)NC(=O)N1CCCN(CC(F)F)CC1	161421179	VPPAEQSGCAJWMI-NSHDSACASA-N	316.356	0.649	70	10	DCIE	
CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H]1CO)CC2	161460501	CYSLQAZDUQQICO-VXGBXAGGSA-N	307.398	0.883	70	10	DCIE	
CC(C)NC(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218686730	SOXRFMZSZQPYJG-UHFFFAOYSA-N	316.369	0.297	70	10	DCIE	
Cc1nc(S(=O)(=O)CCS(=O)(=O)Cl)ccc1C#N	311119128	GSKTWFXVVNPSDH-UHFFFAOYSA-N	308.768	0.604	70	10	DCIE	
CN1CCN(CCCn2cnc(S(=O)(=O)Cl)c2)CC1	690544930	DMIVCXVERWCDAX-UHFFFAOYSA-N	306.819	0.448	70	10	DCIE	
O=C(N[C@@H](CO)C[C@H]1CCCO1)c1cc(S(=O)(=O)F)c[nH]1	1155500342	KJJXRRHJSVAZHP-RKDXNWHRSA-N	320.342	0.333	70	10	DCIE	
CC(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCO	1268222721	ZRCBQZPWAHFDSD-LLVKDONJSA-N	321.374	0.009	70	10	DCIE	
O=C(CCN1CCCC1=O)Nc1ncc(S(=O)(=O)F)s1	1333663640	YXXFTSGIFQWVBB-UHFFFAOYSA-N	321.355	0.752	70	10	DCIE	
CC[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCOC	1495059228	IGTHPZBGDKUJKK-VIFPVBQESA-N	321.374	0.417	70	10	DCIE	
CCN(C)CCOCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1506975945	CJEXSKQMWPRWOT-UHFFFAOYSA-N	321.374	0.371	70	10	DCIE	
O=C(CCc1cccs1)NCC1CN(S(=O)(=O)F)C1	1974060984	ZNKAJBYKTLOYIM-UHFFFAOYSA-N	306.384	0.943	70	10	DCIE	
CC(C)(C)CS(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2078989783	AQWVIWSENCKBBN-UHFFFAOYSA-N	301.405	0.984	70	10	DCIE	
CCCn1cc(S(=O)(=O)Cl)cc1C(=O)NC1COC1	2109040699	VOTBWBDLPSPXKK-UHFFFAOYSA-N	306.771	0.954	70	10	DCIE	
CO[C@@H]1CC(OCCOCCS(=O)(=O)Cl)C[C@H]1OC	2110100745	OGGDYHXGHIXKEF-GHMZBOCLSA-N	316.803	0.781	70	10	DCIE	
COCCn1nnnc1Sc1ncc([B-](F)(F)F)cn1	2116092753	NUCRHLLRUQVJOA-UHFFFAOYSA-N	305.074	0.315	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)OC[C@@H]1COCCO1	2154023176	MWOTYYAQZSGSHA-QMMMGPOBSA-N	323.754	0.525	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@]12CCC[C@H]1OCC2	2164434924	FVPQCWJYDNMSNV-PWSUYJOCSA-N	306.359	0.208	70	10	DCIE	
CN(c1ncncc1[B-](F)(F)F)[C@H]1CCCS(=O)(=O)CC1	2172773803	GSZKZCMZXTYBDF-VIFPVBQESA-N	322.141	0.935	70	10	DCIE	
CO[C@H]1COC[C@H]1N(C)c1nc(C)nc(C)c1[B-](F)(F)F	2177283570	NPSXTOCGVMRSGI-ZJUUUORDSA-N	304.101	0.998	70	10	DCIE	
Cn1nnc(COc2c(F)cc(F)cc2S(=O)(=O)F)n1	2191426627	RPFAISDAAMUWFZ-UHFFFAOYSA-N	308.241	0.726	70	10	DCIE	
O=C(C[C@H]1CCCOCC1)N[C@@H]1CCN(S(=O)(=O)F)C1	2287065392	MANNEYRBTXFVAJ-WDEREUQCSA-N	308.375	0.598	70	10	DCIE	
O=C(O[C@H]1CCCNC1=O)c1ccc(S(=O)(=O)F)cc1	838092210	FWKJXCCQIQOVFA-JTQLQIEISA-N	301.295	0.780	70	10	DCIE	
Cn1nnnc1Cn1cc(S(=O)(=O)Cl)nc1C1CC1	698619302	QZPCJRZVUVNDFN-UHFFFAOYSA-N	302.747	0.260	70	10	DCIE	
CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C(N)=O	864240159	VNSFESQOIFCNKW-JTQLQIEISA-N	302.327	0.585	70	10	DCIE	
C#CCCNCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1320551846	ABRMFJUNPPESSQ-SNVBAGLBSA-N	315.370	0.794	70	10	DCIE	
Cn1nccc1C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1	159396687	ZZXCVHOKIYNAMH-AAEUAGOBSA-N	305.334	0.978	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1Cc1nnn(C)n1	233379708	CKQVKSSYLFVAQU-UHFFFAOYSA-N	304.763	0.335	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cnc(Cl)s1	1974055810	WPTPIPAACJGPAT-UHFFFAOYSA-N	313.763	0.672	70	10	DCIE	
CO[C@@]1(c2nnc(S(=O)(=O)Cl)n2C2CC2)CCOC1	402050783	MVYAYUKULKTSQV-JTQLQIEISA-N	307.759	0.803	70	10	DCIE	
COC1CC(CC(=O)Nc2nn(C)cc2S(=O)(=O)F)C1	2167587085	KXAVUVYYYUYGMH-UHFFFAOYSA-N	305.331	0.832	70	10	DCIE	
C[C@@H](Cn1cc(S(=O)(=O)Cl)c(O)nc1=O)N1CCCC1	2188625290	YSIQRXMOENLXPO-QMMMGPOBSA-N	321.786	0.361	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1C[C@@]12CCOC2	2198327731	HNSRGRABWKOFPF-RDDDGLTNSA-N	320.754	0.303	70	10	DCIE	
O=C1NCCN1CCOc1ccc(F)cc1S(=O)(=O)F	2191434834	OJAFTQQXIHJQNF-UHFFFAOYSA-N	306.290	0.888	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1C[C@@H]1C1CCOCC1	2284143078	SPCYCJCKJGDBER-MNOVXSKESA-N	306.359	0.064	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CC(F)(F)C12CCC2	2284150006	HPKYLPGIHZSUMU-MRVPVSSYSA-N	312.313	0.827	70	10	DCIE	
O=C(Cn1cncn1)NC[C@@H]1CCCN(c2nccs2)C1	218152498	HJAGRMJNVRYRMP-NSHDSACASA-N	306.395	0.767	70	10	DCIE	
CCS(=O)(=O)N(CCN1CCOCC1)C1CCOCC1	217285390	FQAAHBOFZOIPQY-UHFFFAOYSA-N	306.428	0.149	70	10	DCIE	
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1123568005	OBTGUERMIYSPEJ-YUMQZZPRSA-N	317.342	0.399	70	10	DCIE	
CCn1cncc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1=O	1130967968	LYEUXOLHOAALIO-UHFFFAOYSA-N	314.298	0.502	70	10	DCIE	
O=[N+]([O-])c1ccc(NCCOCCO)c(CS(=O)(=O)F)c1	1161929605	GCFAORNMOXFQEB-UHFFFAOYSA-N	322.314	0.815	70	10	DCIE	
O=[N+]([O-])c1nn(CC23CC(CO2)C3)cc1S(=O)(=O)Cl	716123757	PXWPWGXTQNVTEZ-UHFFFAOYSA-N	307.715	0.898	70	10	DCIE	
CN(C(=O)CCc1ccc(S(=O)(=O)F)cc1)c1nn[nH]n1	1528749169	LTIQYQMDCUFBIU-UHFFFAOYSA-N	313.314	0.454	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC(=O)N1CCC1	2125952909	COBSSUOPETWQGR-UHFFFAOYSA-N	307.759	0.189	70	10	DCIE	
C[C@H]1C[C@H](N)CCN1c1cnn(CCN(C)C)c(=O)c1Cl	159928751	ZMVBQFUZPSZVOT-WDEREUQCSA-N	313.833	0.774	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cccnc2F)[nH]1	1923142153	PJHVFUMUWXZWKW-UHFFFAOYSA-N	302.262	0.287	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)Cl)CC[C@H]1NC(=O)C(F)(F)F	1953572333	BYQSICDADGPABC-PHDIDXHHSA-N	308.709	0.859	70	10	DCIE	
Cc1nc(N2C[C@H]3OCCN(C)[C@@H]3C2)ncc1[B-](F)(F)F	2172757625	DQORJAPHXYGXLW-GHMZBOCLSA-N	301.101	0.359	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cnc(Cl)s1	2258987149	JZMQXCYLYNQAJL-RXMQYKEDSA-N	313.763	0.815	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12	2287070086	DMDNHAFUVPYBDQ-UFVWWTPHSA-N	302.371	0.683	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)[C@H]2CCCC[C@H]2F)C1	2330642224	QIPGZPRHDZPBCD-AEJSXWLSSA-N	317.379	0.971	70	10	DCIE	
CN[C@H]1CC[C@@H](C)C[C@@H]1CN1CCN(S(C)(=O)=O)CC1	217970523	GUOQODZDXFEZCX-MCIONIFRSA-N	303.472	0.588	70	10	DCIE	
CCC(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	780365604	OIBYCGDAPHIJDO-UHFFFAOYSA-N	310.328	0.064	70	10	DCIE	
COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(C)(C)C	1132187819	MBDDLEXCFFRELC-SECBINFHSA-N	320.342	0.990	70	10	DCIE	
COC(=O)c1[nH]nc(Br)c1S(=O)(=O)Cl	1888451007	BKXPDVSOVLJADW-UHFFFAOYSA-N	303.521	0.886	70	10	DCIE	
CCn1nnnc1Cn1cc(S(=O)(=O)Cl)nc1C1CC1	698602120	GDJWPQLABWBKSD-UHFFFAOYSA-N	316.774	0.743	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)C2CC(C(F)F)C2)C1	1912678769	ZLMZUUACNJXUMH-WTIBDHCWSA-N	321.342	0.734	70	10	DCIE	
CCc1nn2c(=O)cc(CN(C)[C@@H](CN)C3CC3)nc2s1	160038012	GWCCTSMNSUELQQ-NSHDSACASA-N	307.423	0.883	70	10	DCIE	
C[C@@H](C(=O)NC1(CO)CC1)N1CCN(c2ccc(F)cc2)CC1	160356525	GZPXZRQBZVREKZ-ZDUSSCGKSA-N	321.396	0.977	70	10	DCIE	
Cc1c(C(=O)N2CCC(CO)CC2)cccc1S(N)(=O)=O	160884539	IPQZGCNHEKWSFC-UHFFFAOYSA-N	312.391	0.487	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1	160896290	LJROIBZCSOFTQL-JTQLQIEISA-N	322.365	0.598	70	10	DCIE	
C[C@@H](O)c1ccc(S(=O)(=O)NCCNC(=O)C2CC2)cc1	160915140	YPVORAWPTPWEKD-SNVBAGLBSA-N	312.391	0.544	70	10	DCIE	
O=C(CCc1ccccc1)NCC1CN(S(=O)(=O)F)C1	1974057829	ARTCTNMZOFZJLU-UHFFFAOYSA-N	300.355	0.882	70	10	DCIE	
CNCCCN(C)c1cnn(CC(=O)OC)c(=O)c1Cl	159811762	OIMHISPJNBRTBV-UHFFFAOYSA-N	302.762	0.115	70	10	DCIE	
CC(C)(F)CS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2028128741	LIZDATYBMOUBNS-QMMMGPOBSA-N	305.368	0.828	70	10	DCIE	
CC[C@]1(NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)CCOC1	378813466	ANONWCYMALJWPY-NSHDSACASA-N	321.786	0.945	70	10	DCIE	
COCCN1CCN(c2nc(C)ncc2[B-](F)(F)F)CC1	2172758923	WWOOFXFXBOLJAT-UHFFFAOYSA-N	303.117	0.608	70	10	DCIE	
COc1nc(N2CCN3CCC[C@H]3C2)ncc1[B-](F)(F)F	2172764708	HEMCSBQSEXDMTD-VIFPVBQESA-N	301.101	0.824	70	10	DCIE	
O=C(C[C@H]1CN2CCC1CC2)N1CC(CS(=O)(=O)F)C1	2199682592	MAHUPTQZXHYMRX-LBPRGKRZSA-N	304.387	0.476	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2CCN3CCOC[C@@H]3C2)n1	2185879175	BQDPYLVUBPWMNX-NSHDSACASA-N	300.113	0.965	70	10	DCIE	
CNC(=O)[C@@H](C)n1nc(OC)c(S(=O)(=O)Cl)c1OC	2093416436	ZKDCTKVRTDTCCH-RXMQYKEDSA-N	311.747	0.135	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1csc2cncn12	2287076873	KFDJSSLESJUMMD-ZETCQYMHSA-N	318.355	0.414	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2C[C@@H]3[C@H](C2)CS3(=O)=O)n1	2361545108	YNHKWODYNABDAW-VXNVDRBHSA-N	321.109	0.378	70	10	DCIE	
CC12CC(C1)[C@H](C(=O)NCC1CN(S(=O)(=O)F)C1)CO2	2362911433	UKBQOERFOGOWGZ-SQLBVSGCSA-N	306.359	0.064	70	10	DCIE	
O=C1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1	1346796944	RBNDRJWEVGYNKF-SSDOTTSWSA-N	303.315	0.071	70	10	DCIE	
O=C(N[C@H]1CCc2ncnn2C1)N1CCC(N2CCCC2)CC1	161225187	HERFRDRNXXFWEY-ZDUSSCGKSA-N	318.425	0.863	70	10	DCIE	
CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc([S@@](C)=O)cc1	159605901	SDVDOJHPKGIFRQ-XMHCIUCPSA-N	323.418	0.844	70	10	DCIE	
N#CC1(CS(=O)(=O)N2CC(CCS(=O)(=O)F)C2)CC1	2134974501	GNZSKARJAGTEDH-UHFFFAOYSA-N	310.372	0.241	70	10	DCIE	
CCN(CC)S(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	1923190214	ACFFCTTZQQYCOS-UHFFFAOYSA-N	314.364	0.077	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1cccnc1O	1974403202	WAPZIXQBHUGOHT-UHFFFAOYSA-N	303.315	0.196	70	10	DCIE	
CCN(CC)CCCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2145422295	WMDBOMREVAKQOW-UHFFFAOYSA-N	323.802	0.608	70	10	DCIE	
Cc1nc(N2CC(N3CCOCC3)C2)ncc1[B-](F)(F)F	2172771781	FGTIPAYVDNHUER-UHFFFAOYSA-N	301.101	0.360	70	10	DCIE	
COCCn1c([C@@H]2C[C@H](C)CO2)nnc1S(=O)(=O)Cl	718561106	VOBNUPSAUROQIM-YUMQZZPRSA-N	309.775	0.950	70	10	DCIE	
O=C([C@@H]1CC12CCOCC2)N1CC(CCS(=O)(=O)F)C1	2199698275	NTUIJBCXXIMFPG-NSHDSACASA-N	305.371	0.951	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)NCC1COC1	2097861119	LHQDEIIPJNQTGW-UHFFFAOYSA-N	306.771	0.812	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H](C)[C@H]2CCCO2)c1S(=O)(=O)Cl	115793233	XNFGIHSKQCYBGS-HTRCEHHLSA-N	321.786	0.943	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@H](C)CCN(C)C)cc1N	159595987	ZMDDVZVNZMYOLL-SNVBAGLBSA-N	300.428	0.929	70	10	DCIE	
O=C(C[C@H]1CCCC(=O)N1)Nc1ncc(S(=O)(=O)F)s1	1543645370	ZCRMDNWTGQPTNN-ZCFIWIBFSA-N	321.355	0.799	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C(C2CC2)C2CC2)[nH]1	1923173268	GOSSJTZEMLCIFS-UHFFFAOYSA-N	301.343	0.875	70	10	DCIE	
CN(C)c1ccc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)cn1	1968235714	OGBCKPLKQAOJSS-JTQLQIEISA-N	301.343	0.661	70	10	DCIE	
CO[C@H]1C[C@@H](CC(=O)NC2CCN(S(=O)(=O)F)CC2)C1	1974394424	IUNFCPFRSRWKAC-JGZJWPJOSA-N	308.375	0.596	70	10	DCIE	
C[C@H](CCCN1CCS(=O)(=O)[C@H](C)C1)S(=O)(=O)Cl	2037945438	OHKLPZDKRCWRKE-NXEZZACHSA-N	317.860	0.843	70	10	DCIE	
O=C(N[C@@H]1[C@H]2CCOC[C@@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2093705662	ISHLLKJTLXPMNI-OYNCUSHFSA-N	304.755	0.707	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21	2170856975	NYEXBVSSFIHZFF-YIZRAAEISA-N	312.313	0.540	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CC(N(C)C3COC3)C2)n1	2173115934	WJJKMBJQGQUNCP-UHFFFAOYSA-N	301.101	0.359	70	10	DCIE	
O=C(N1CCN(S(=O)(=O)F)CC1)[C@]12CCC[C@H]1CSC2	2201878079	TXOPRSMFHXMWDX-JQWIXIFHSA-N	322.427	0.878	70	10	DCIE	
COC[C@@H]1CC[C@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2207416240	MUSWTPVVHOSXHK-JGVFFNPUSA-N	321.786	0.800	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cnccc1Cl	2271502123	VZLNFUILFGLDPF-ZETCQYMHSA-N	307.734	0.753	70	10	DCIE	
O=C([C@H]1CN2CCN1CC2)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2357337311	NUKTZVOZVLYQLD-WZRBSPASSA-N	302.129	0.826	70	10	DCIE	
COCCCOCCOCCOCCS(=O)(=O)Cl	232206262	KQXFNCFMOKTPQO-UHFFFAOYSA-N	304.792	0.641	70	10	DCIE	
Cc1oc(C(=O)N[C@H]2COC[C@H]2F)cc1S(=O)(=O)Cl	1876000497	RZCFFRNSRNZKLO-RQJHMYQMSA-N	311.718	0.982	70	10	DCIE	
CC(C)(C)OC(=O)N1CC(C(=O)N2CC(S(=O)(=O)F)C2)C1	1897481081	JHSQSZWJSVSRID-UHFFFAOYSA-N	322.358	0.363	70	10	DCIE	
O=C(NC1[C@@H]2COC[C@@H]12)c1cccc(S(=O)(=O)Cl)c1	2118024580	BMFHHQUCERECQG-NXEZZACHSA-N	301.751	0.989	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H](F)C(F)(F)F)[nH]1	2123140857	CWAKMQMBTAMDED-BYPYZUCNSA-N	307.200	0.339	70	10	DCIE	
CNCc1csc(S(=O)(=O)NCCN2CCOCC2)c1	217296468	JRHLGTHBWGTNIQ-UHFFFAOYSA-N	319.452	0.078	70	10	DCIE	
COCCNCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1732730556	BVIZWWLSQKWTQL-SECBINFHSA-N	321.374	0.417	70	10	DCIE	
C[C@@H](CNC[C@@H]1CCCN(S(C)(=O)=O)C1)N(C)C1CC1	218679759	XPPMHYAIBRJTDS-STQMWFEESA-N	303.472	0.730	70	10	DCIE	
O=C(N[C@H]1CO[C@H]2C[C@@H]1C2)c1cc(S(=O)(=O)Cl)c[nH]1	2126705617	NBBPZWYHQCMWTF-PJKMHFRUSA-N	304.755	0.849	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1Cc1cc(C(N)=S)ccc1F	159817555	SLBAWOZAFONDOA-LBPRGKRZSA-N	311.382	0.407	70	10	DCIE	
CS(=O)(=O)CCN(CCCS(=O)(=O)Cl)C1CC1	2003844378	KDLBUPJUERICEU-UHFFFAOYSA-N	303.833	0.454	70	10	DCIE	
CC[C@@H](CCCN1CC(S(C)(=O)=O)C1)S(=O)(=O)Cl	2037946431	WZIGMZKYJSJHDH-VIFPVBQESA-N	317.860	0.843	70	10	DCIE	
CN1CC(CNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	379457214	VTENPWOGJBCFAQ-UHFFFAOYSA-N	322.383	0.185	70	10	DCIE	
O=C(N1CC[C@@H](S(=O)(=O)F)C1)[C@]12CCCCN1CCC2	2186093326	YDAAHQBJJVMEQH-DGCLKSJQSA-N	304.387	0.905	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1COC[C@H]1F	2191489047	NBTAZRIFVHWOFA-BDAKNGLRSA-N	324.761	0.902	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CC[C@H](C(F)(F)F)C1	2284149579	DOBZAIGKGCOZBY-RQJHMYQMSA-N	318.292	0.980	70	10	DCIE	
Cc1cccc(OCC(=O)NC[C@H](O)Cn2ccccc2=O)c1	218416326	GIKVAUKVNOTZAW-AWEZNQCLSA-N	316.357	0.713	70	10	DCIE	
COC[C@@H](C)NC(=O)Cn1cc(S(=O)(=O)Cl)nc1C	215817663	LFRSAUZQYLXBDO-SSDOTTSWSA-N	309.775	0.270	70	10	DCIE	
Nc1cc(F)ccc1-c1nnnn1C[C@@H]1CCS(=O)(=O)C1	160018651	OJROFUGJAGXFCM-QMMMGPOBSA-N	311.342	0.496	70	10	DCIE	
CC[C@@H]1OCC[C@@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923176976	FGRBSXFTGKKRGT-YUMQZZPRSA-N	305.331	0.254	70	10	DCIE	
COc1ccc(C(=O)N2CCC(S(=O)(=O)F)CC2)cn1	1968216711	CZDYOUBETSRWFJ-UHFFFAOYSA-N	302.327	0.994	70	10	DCIE	
Cc1nnccc1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974395030	SZWXKMRVAQDGIO-UHFFFAOYSA-N	302.331	0.194	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CC(=O)N(C)C1	2182342443	BEGRMHBXMDPKMN-MRVPVSSYSA-N	321.786	0.435	70	10	DCIE	
COCC1(NC(=O)c2cc(S(=O)(=O)Cl)c(C)o2)COC1	2189272685	MOOQFNZDVZUHOH-UHFFFAOYSA-N	323.754	0.661	70	10	DCIE	
COCc1cnccc1C(=O)N1CC[C@H](S(=O)(=O)F)C1	2185939965	TYNJPQSOLFGLGR-JTQLQIEISA-N	302.327	0.742	70	10	DCIE	
O=C(c1c(O)cccc1O)N1CC(CCS(=O)(=O)F)C1	2199696356	WRHZQICEUONGLD-UHFFFAOYSA-N	303.311	0.859	70	10	DCIE	
CCN1C[C@H]2C[C@H]1CN2c1ncc([B-](F)(F)F)c(OC)n1	2187559452	HUWZOSSHZCNPFI-DTWKUNHWSA-N	301.101	0.822	70	10	DCIE	
CCOC(=O)c1cnn(-c2ncccn2)c1S(=O)(=O)Cl	112360404	VZAKSSKJJGZCMS-UHFFFAOYSA-N	316.726	0.767	70	10	DCIE	
COCCn1c(C2CCOCC2)nnc1S(=O)(=O)Cl	133328473	SGRLYDBBFYLKJS-UHFFFAOYSA-N	309.775	0.746	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)[C@@H](N)c1cccs1	159619435	YRNNAVSQLKZNBF-JQWIXIFHSA-N	311.407	0.502	70	10	DCIE	
C[C@@H](Oc1cccnc1)C(=O)NC[C@H](O)CN1CCCCC1	160007904	UUTPCFDERRWORX-KGLIPLIRSA-N	307.394	0.812	70	10	DCIE	
C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@]2(O)CCCC[C@@H]2C1	160533303	NZNKXNRXYSPOLC-XHBSWPGZSA-N	309.410	0.990	70	10	DCIE	
O=S(=O)(Cl)c1cn(Cc2nnc3n2CCCC3)cn1	217322648	WLBCSOZFHYDNLB-UHFFFAOYSA-N	301.759	0.787	70	10	DCIE	
COc1cccc(C(=O)NC[C@@H](O)Cn2ccccc2=O)c1	218406268	JTBVWQAHLXPGCW-CYBMUJFWSA-N	302.330	0.648	70	10	DCIE	
CCN(C)C(=O)Cn1nc([N+](=O)[O-])c(S(=O)(=O)Cl)c1C	312569951	LKKLKOUDMPOLEB-UHFFFAOYSA-N	324.746	0.506	70	10	DCIE	
C[C@@H]1CS(=O)(=O)CCN1CCCCS(=O)(=O)Cl	689053859	FBKIDONEWKWPKG-SECBINFHSA-N	303.833	0.454	70	10	DCIE	
Cn1nnc(C(=O)Nc2ccc(F)c(CS(=O)(=O)F)c2)n1	1532424416	MGXQJUZAJANFIS-UHFFFAOYSA-N	317.277	0.401	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](c2ncon2)C1	1645207756	JDQRLCPLBPFXSE-SSDOTTSWSA-N	314.298	0.686	70	10	DCIE	
CC(C)(C)OC(=O)N1C[C@@H]2OCCN(S(=O)(=O)F)[C@@H]2C1	1954656879	SJLPGFYPQVLAFA-BDAKNGLRSA-N	310.347	0.521	70	10	DCIE	
Cc1cc(C)n(CC(=O)N2CCC[C@@H](S(=O)(=O)F)C2)n1	1973211897	GCZMFRLHIMIPLH-LLVKDONJSA-N	303.359	0.790	70	10	DCIE	
O=C(Cc1cccc(O)c1)NCC1CN(S(=O)(=O)F)C1	1974060965	ZFOQIXAVLWEJKH-UHFFFAOYSA-N	302.327	0.197	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CCNC(=O)C1	2109226235	XKJSAGXXNLEMCQ-MRVPVSSYSA-N	305.787	0.899	70	10	DCIE	
COc1cccc(O)c1C(=O)N1CC[C@@H](S(=O)(=O)F)C1	2144733610	RVILYACVAABMDK-MRVPVSSYSA-N	303.311	0.915	70	10	DCIE	
COc1ccc(OC[C@H]2CCS(=O)(=O)N2)c([B-](F)(F)F)c1	2146192338	PONSMQPQQASBAJ-MRVPVSSYSA-N	324.109	0.820	70	10	DCIE	
O=C(N1CCC(S(=O)(=O)F)CC1)C(F)(F)[C@H]1CCOC1	2185235369	JKDQUCGXIIFOCY-QMMMGPOBSA-N	315.313	0.949	70	10	DCIE	
COc1nc(N2CCN(C)C3(CC3)C2)ncc1[B-](F)(F)F	2188412796	CQFCBHZEUXTDMR-UHFFFAOYSA-N	301.101	0.824	70	10	DCIE	
C[C@@H](N)c1nc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)cs1	160222409	RCWWEQXRXNOZNV-OPRDCNLKSA-N	308.407	0.904	70	10	DCIE	
CCc1ncc(S(=O)(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)[nH]1	160532735	XFCVMKKQRJCFIY-ZJUUUORDSA-N	312.395	0.261	70	10	DCIE	
CCn1cnnc1[C@H]1CCCN(CC(=O)NCCCOC)C1	161417821	AIQPGFNMJPBVIY-ZDUSSCGKSA-N	309.414	0.630	70	10	DCIE	
CC(C)n1cnnc1CN1CCn2nc([C@H](O)CO)cc2C1	217921062	QNKXSSBWJHRBKD-CYBMUJFWSA-N	306.370	0.097	70	10	DCIE	
O=C1NCCCc2nc(NC(=O)c3ccc[nH]c3=O)sc21	218483868	DKMDPESBKSMKBD-UHFFFAOYSA-N	304.331	0.760	70	10	DCIE	
CC1(C)OC[C@@H]2C[C@]21NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1348817111	JGLGZMAQNHNZOK-MADCSZMMSA-N	302.327	0.970	70	10	DCIE	
COCCNC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1732437886	DRRBBVLMQNWFBD-VIFPVBQESA-N	321.374	0.369	70	10	DCIE	
Cc1c(CN2CCNCC2)cc(OS(=O)(=O)F)c(C)c1N	1887578954	PFXZWSSWFRVDQK-UHFFFAOYSA-N	317.386	0.884	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1C[C@@H]2C[C@H](C1)O2	1899448957	MKURAHIUAZRHLN-OCAPTIKFSA-N	304.755	0.566	70	10	DCIE	
CO[C@]1(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)CCCOC1	1973214889	NPFCZHLGXVZPTF-CMPLNLGQSA-N	309.359	0.472	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cccc(Cl)c1O	1974058077	CPACJMNMWSQHMT-UHFFFAOYSA-N	322.745	0.922	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)c2cncs2)C1	2031781383	KSHXSDVWBFJJJC-ZETCQYMHSA-N	314.385	0.596	70	10	DCIE	
Cc1ncnc(N2CCS(=O)(=O)[C@H](C)C2)c1[B-](F)(F)F	2116131813	DREACLSDSOKVDW-SSDOTTSWSA-N	308.114	0.463	70	10	DCIE	
CS(=O)(=O)c1cnn(-c2ncc(F)cc2[B-](F)(F)F)c1	2273485987	QOCBGVUIYCCVKI-UHFFFAOYSA-N	308.045	0.864	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@H]1COCCN1C	2283077052	USAHQZXJELEODX-VIFPVBQESA-N	323.802	0.288	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(O[C@@H]2CCN(S(C)(=O)=O)C2)n1	2285601209	VHYHDGQTJPIKCU-SECBINFHSA-N	323.125	0.857	70	10	DCIE	
Nc1cc(F)cc(F)c1C(=O)N1CC(CS(=O)(=O)F)C1	2286950988	SBHGBCVYARFTAT-UHFFFAOYSA-N	308.281	0.918	70	10	DCIE	
Cc1cnc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c([B-](F)(F)F)c1	2336519530	GJKCYKYGHSIPNR-WPRPVWTQSA-N	305.110	0.678	70	10	DCIE	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(S(=O)(=O)Cl)c[nH]1	133521095	PYPDNFVWSYPSEJ-YNEQXMIYSA-N	304.755	0.992	70	10	DCIE	
COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(N)cc(C)c2F)C1	159551713	GEXLEVRKZMKYFG-SECBINFHSA-N	316.354	0.900	70	10	DCIE	
Cc1ccc(NC(=O)[C@H](N)CCS(C)(=O)=O)cc1N(C)C	161235600	HSAXBHUFKBLNPK-GFCCVEGCSA-N	313.423	0.762	70	10	DCIE	
COC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	163300661	FZKAKJGGINWNLC-QMMMGPOBSA-N	311.356	0.658	70	10	DCIE	
COc1cccc(OC)c1NC(=O)N1CCN(CCO)CC1	217270719	VHYKMVQCUUSKON-UHFFFAOYSA-N	309.366	0.846	70	10	DCIE	
CCN(CC(N)=O)C(=O)c1ccc(S(=O)(=O)F)c(OC)c1	1128657386	KWEAMBCRWOXEPD-UHFFFAOYSA-N	318.326	0.301	70	10	DCIE	
C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N(C)CC#N	1485353467	UMCLOVKTPQPLRU-MRVPVSSYSA-N	302.331	0.247	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)[C@@H]2CC23CCC3)n1	1923157615	YUBZFPJSOTXERC-MRVPVSSYSA-N	323.371	0.763	70	10	DCIE	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC(=O)N1S(=O)(=O)Cl	1953616036	UXBLCGZIOZXRFG-RNFRBKRXSA-N	312.775	0.984	70	10	DCIE	
O=C([C@H]1C[C@@H]1C(F)(F)F)N1CCN(S(=O)(=O)F)CC1	2107409338	BBVJHRLSRAPCAM-BQBZGAKWSA-N	304.265	0.543	70	10	DCIE	
CN(Cc1nnnn1C)c1ncc(Cl)cc1[B-](F)(F)F	2116159136	CZJKWALUISFZRF-UHFFFAOYSA-N	305.480	0.949	70	10	DCIE	
O=C([C@@H]1CN2CCC1CC2)N1CCC[C@H](S(=O)(=O)F)C1	2150808531	QOCLLAILXSGRCM-NWDGAFQWSA-N	304.387	0.619	70	10	DCIE	
COCCn1c([C@]23C[C@H](OC)[C@H]2C3)nnc1S(=O)(=O)Cl	2157485387	DKERXOUXGYQLRN-VHSKPIJISA-N	321.786	0.528	70	10	DCIE	
O=C(NC1COC1)c1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1	2165341795	KURVXCWEAXLHED-UHFFFAOYSA-N	320.710	0.651	70	10	DCIE	
Cc1ccc(N)c(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1	2287061981	AIQASYNRQMTAOL-VIFPVBQESA-N	301.343	0.596	70	10	DCIE	
CNC(=O)COc1ccc(S(=O)(=O)Cl)cc1C(=O)O	215666257	MIEVOAAEXFMVNT-UHFFFAOYSA-N	307.711	0.437	70	10	DCIE	
CC(C)[C@H](O)C(C)(C)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2365776922	SEAWNZNCVNSMHH-ZJUUUORDSA-N	310.391	0.434	70	10	DCIE	
CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NCCNC(N)=O	160865700	YDKHLYSCQRLFPS-MNOVXSKESA-N	300.403	0.938	70	10	DCIE	
O=C(c1cnn2c1CCC2)N1CCC(S(=O)(=O)F)CC1	2167660879	ISVBZUMOJGBNSH-UHFFFAOYSA-N	301.343	0.733	70	10	DCIE	
Cc1c(S(=O)(=O)NC[C@H](C)N(C)C2CC2)c(N)nn1C	218220311	VPVQKOCRQDOBQR-QMMMGPOBSA-N	301.416	0.072	70	10	DCIE	
CC1(C)NC(=O)N(CCCC(=O)N2C[C@@H]3CCC[C@H](C2)N3)C1=O	160335749	JDZRFXGQZDGTCH-TXEJJXNPSA-N	322.409	0.450	70	10	DCIE	
CC[C@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCN1CCOC	160923200	KIPOYFUCJACMGY-ZDUSSCGKSA-N	322.409	0.570	70	10	DCIE	
O=C(c1cccc([N+](=O)[O-])c1)N1CC(CS(=O)(=O)F)C1	1968215148	AJEOIHIJCYIQTQ-UHFFFAOYSA-N	302.283	0.966	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1CCC(C)(C)C(N)=S	159821088	XQZRTSSFLKNUAL-LLVKDONJSA-N	301.456	0.916	70	10	DCIE	
CCn1c(CS(=O)(=O)CC)nnc1S(=O)(=O)Cl	2015464667	NKEGSXDPJNVSBB-UHFFFAOYSA-N	301.777	0.160	70	10	DCIE	
CN(CC1(S(C)(=O)=O)CCC1)c1ncc([B-](F)(F)F)cn1	2172784729	QLQDHNGEGPIEAX-UHFFFAOYSA-N	322.141	0.935	70	10	DCIE	
O=C(C[C@H]1C[C@H]1C(F)(F)F)NCC1CN(S(=O)(=O)F)C1	2185243940	VIJNQJTUIUNWBF-HTQZYQBOSA-N	318.292	0.837	70	10	DCIE	
CS(=O)(=O)CCCOc1ncccc1S(=O)(=O)Cl	2263771013	NKGSNDFXGPFSDD-UHFFFAOYSA-N	313.784	0.823	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CCC[C@H]1C(F)(F)F	2284150483	KACWXISGJJIFMN-JGVFFNPUSA-N	318.292	0.980	70	10	DCIE	
CC(C)c1c[nH]nc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287079804	WNNNFSHFFZOQIE-QMMMGPOBSA-N	304.347	0.552	70	10	DCIE	
CC(=O)Nc1cccc(NC(=O)NCCN2CCNCC2)c1	217300601	OZHJXUMKCSDEMU-UHFFFAOYSA-N	305.382	0.672	70	10	DCIE	
CN(C)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1123525182	WZEMHIYYBGPTCX-UHFFFAOYSA-N	303.359	0.839	70	10	DCIE	
Cn1ncc(S(=O)(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)n1	1879788065	KRSKZZFJKMFKHQ-VXNVDRBHSA-N	309.102	0.817	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(N2CCC2)CC1	1347121833	JORBBTGWAVBOHE-UHFFFAOYSA-N	315.370	0.983	70	10	DCIE	
NCCCNC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1	160015802	UEXJLTUSEQAFEU-UHFFFAOYSA-N	314.271	0.760	70	10	DCIE	
O=C(NC1CC1)[C@H]1COCCN1S(=O)(=O)c1ccccc1	160518835	LTCINHDSVRQQHS-CYBMUJFWSA-N	310.375	0.355	70	10	DCIE	
C[C@H]1C(=O)NCCN1C(=O)NCc1cn(C)nc1C(F)(F)F	160859848	WFKOUJJCHSVEED-ZETCQYMHSA-N	319.287	0.469	70	10	DCIE	
C[C@H]1CN(c2cnn(CCN(C)C)c(=O)c2Cl)[C@H](C)CN1	159568099	WAXJMCCISULXTN-WDEREUQCSA-N	313.833	0.645	70	10	DCIE	
O=C(c1cc(F)cc(F)c1)N1CCN(S(=O)(=O)F)CC1	1974001735	ZVMMIEMBKNIYSS-UHFFFAOYSA-N	308.281	0.937	70	10	DCIE	
C[C@@H](CC(F)(F)F)C(=O)NCC1CN(S(=O)(=O)F)C1	1974060173	RWADESPJFORBES-LURJTMIESA-N	306.281	0.837	70	10	DCIE	
O=C(O)c1ccc(OCc2nnn[nH]2)c(S(=O)(=O)Cl)c1	313143575	REOWVIWOXVRNJG-UHFFFAOYSA-N	318.698	0.404	70	10	DCIE	
COCCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1C1CC1	704291796	AGWBJJXOGDLJFX-UHFFFAOYSA-N	321.786	0.451	70	10	DCIE	
CCCn1nnnc1CN(C)c1ncc([B-](F)(F)F)cn1	2196254617	TXOHBBNQCHANMT-UHFFFAOYSA-N	300.077	0.564	70	10	DCIE	
FC(F)Cn1nnnc1Sc1ncncc1[B-](F)(F)F	2225654702	WDCDHNKUFQVAFS-UHFFFAOYSA-N	311.028	0.934	70	10	DCIE	
CC(C)CCS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2258998185	VGLOTXVSGGKJNL-SECBINFHSA-N	302.393	0.241	70	10	DCIE	
C[C@@H]1C[C@@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CCS1	2271487658	AXWQWGUIDCZCQS-UTLUCORTSA-N	310.416	0.923	70	10	DCIE	
CN(C)S(=O)(=O)[C@@H]1CCN(c2ncccc2[B-](F)(F)F)C1	2279224755	KEPSDVLTHWTPTE-SECBINFHSA-N	322.141	0.606	70	10	DCIE	
CCCN(c1cnn(CCO)c(=O)c1Cl)[C@@H]1CCCNC1	159435268	YOHLLXIUKFRCJZ-LLVKDONJSA-N	314.817	0.857	70	10	DCIE	
COCCN1CCC[C@H]1CNC(=O)N1CCC([C@@H](C)O)CC1	159552816	LSULASOSTQDGOL-HIFRSBDPSA-N	313.442	0.900	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cc(N)cc(F)c2C)CCOC1	159910266	HINLSWCQKYLXSK-ZDUSSCGKSA-N	318.370	0.800	70	10	DCIE	
CC1CC(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)(C(N)=S)C1	160294120	RXNSHWBUGPBERZ-FMCALUSXSA-N	309.435	0.816	70	10	DCIE	
C[C@H](C(=O)NC1(CO)CC1)N1CCN(c2ccc(F)cc2)CC1	160356656	GZPXZRQBZVREKZ-CYBMUJFWSA-N	321.396	0.977	70	10	DCIE	
CN(c1cc(Br)ncn1)[C@H]1CCS(=O)(=O)C1	160593517	NBQLCLJWODTPON-ZETCQYMHSA-N	306.185	0.862	70	10	DCIE	
O=S(=O)(Cl)c1cc(F)c(OCc2nn[nH]n2)c(F)c1	388471651	QAZKUPZZZCCTDS-UHFFFAOYSA-N	310.669	0.984	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@]12COC[C@@H]1C2	718094908	HLTGMSNNUYIUJT-UFBFGSQYSA-N	318.782	0.954	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CC1CS(=O)(=O)C1	723179792	YFDJPOOQMQPRKA-UHFFFAOYSA-N	312.800	0.418	70	10	DCIE	
C[C@@H]1CCS[C@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923174329	RNBOIGVFRGUPCV-HTRCEHHLSA-N	307.372	0.580	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)c2ccccc2)n1	1923195073	YGCWLBPWHBFBSA-UHFFFAOYSA-N	319.339	0.879	70	10	DCIE	
Cc1ncc(C(=O)NC2CCN(S(=O)(=O)F)CC2)s1	1974401445	BTTQLIMABZOECF-UHFFFAOYSA-N	307.372	0.860	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1ccncc1O	1974403398	YLEIPJAFMIEMQK-UHFFFAOYSA-N	303.315	0.196	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@H]1CNC(=O)O1	2125952822	BFVDLRITJNFNOU-LURJTMIESA-N	309.731	0.065	70	10	DCIE	
COc1ccc(O)c(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)c1	2144732016	AQAYQHANCJGBHC-SECBINFHSA-N	303.311	0.915	70	10	DCIE	
O=C(c1cccn1C1CC1)N1CCN(S(=O)(=O)F)CC1	2163654466	DYHPRNFOECIUDH-UHFFFAOYSA-N	301.343	0.795	70	10	DCIE	
O=C([C@H]1C[C@H]2C=C[C@H]1CC2)N1CCN(S(=O)(=O)F)CC1	2163668119	TWEIACXIMGHAOU-SRVKXCTJSA-N	302.371	0.947	70	10	DCIE	
O=C(Nc1ccc(S(=O)(=O)F)nc1)[C@@H]1[C@H]2CCOC[C@@H]21	2166521326	IMMSERDGOOHJDV-ATZCPNFKSA-N	300.311	0.961	70	10	DCIE	
O=C(C1C[C@H]2COC[C@H](C1)C2)N1CC[C@@H](S(=O)(=O)F)C1	2206846428	WLZBDAWVODNJAN-JBLDHEPKSA-N	305.371	0.949	70	10	DCIE	
C[C@H](CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)C(F)(F)F	2271486233	VLWSJNKLCAWYRC-RNFRBKRXSA-N	306.281	0.980	70	10	DCIE	
Cc1nn(C)c(Cl)c1CN1CCOC[C@@H]1C(=O)NC1CC1	159496321	WSNIFKINABXKCF-GFCCVEGCSA-N	312.801	0.861	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)c1sc(N)nc1C	159604127	VOZLHNUHHAEMDF-VIFPVBQESA-N	312.395	0.401	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCO[C@H]3CCC[C@@H]32)cc1N	159605574	OOWLWYGSQBEYGM-STQMWFEESA-N	311.407	0.935	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)C1(C(N)=S)CCC1	159777062	FGKAGDNSTGWYKB-JTQLQIEISA-N	313.423	0.196	70	10	DCIE	
COCCOCCCCNS(=O)(=O)c1ccc(=O)[nH]c1	159871475	KZFUZRUUSAQWRX-UHFFFAOYSA-N	304.368	0.096	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2c(N)ccc(C)c2C)CCOC1	159916866	DGONSPJHHQESJD-AWEZNQCLSA-N	314.407	0.969	70	10	DCIE	
CN1CCO[C@@H](CNC(=O)Nc2ccn(CC(F)(F)F)n2)C1	160727699	MEJROMQXWABJFY-VIFPVBQESA-N	321.303	0.898	70	10	DCIE	
COC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)c(C)cc1F	161486007	SJIINEKDMWBHCY-UHFFFAOYSA-N	318.370	0.936	70	10	DCIE	
CC(C)[C@@H]1CC[C@@H](N)[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1	217971842	DLLWMZIRTNGCRQ-RBSFLKMASA-N	317.499	0.963	70	10	DCIE	
C#C[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)Cl	310598181	BUXUHHKWHAQDRY-QMMMGPOBSA-N	307.780	0.914	70	10	DCIE	
CCN(CCCCS(=O)(=O)Cl)CCS(C)(=O)=O	688601702	ZSUYNTSDIXSZHD-UHFFFAOYSA-N	305.849	0.702	70	10	DCIE	
Cn1nnc(Cn2cc(S(=O)(=O)Cl)nc2C2CC2)n1	704278600	DQCCWOHVYGPVQI-UHFFFAOYSA-N	302.747	0.260	70	10	DCIE	
CO[C@@H](C)CN(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1266326583	DZNQDMIBBZWGBZ-VIFPVBQESA-N	321.374	0.369	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)c2ccns2)C1	1941155731	LBZZNAARBHGJOR-LURJTMIESA-N	300.358	0.205	70	10	DCIE	
C#CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1963987977	KPMCEMBQOBRNOI-UHFFFAOYSA-N	305.352	0.989	70	10	DCIE	
COc1ncccc1C(=O)N1CCC[C@H](S(=O)(=O)F)C1	1968228433	YFKUIHXENJSKRY-VIFPVBQESA-N	302.327	0.994	70	10	DCIE	
COc1cc(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)nn1C	1968236598	YAYRGOZOEYEWOY-QMMMGPOBSA-N	305.331	0.333	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cccc(F)c1F	1974058915	IUTQWGLRAALOMU-UHFFFAOYSA-N	308.281	0.841	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	1974394251	GFCIXILFVFONBW-RDWYDEMBSA-N	302.371	0.683	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)[C@@H]2CCC[C@@H]2F)C1	2134974680	IXPYYGJFKHUJJI-VHSXEESVSA-N	317.379	0.828	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1[C@@H]2CCCO[C@H]21	2176539069	OWKDHBHQKHYWBL-JMJZKYOTSA-N	318.782	0.860	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1C[C@]12CCOC2	2198307246	ABVNJAWQZIGEGZ-JQWIXIFHSA-N	318.782	0.861	70	10	DCIE	
O=C(c1cc(O)ccc1O)N1CC(CCS(=O)(=O)F)C1	2199692307	IGCGOZRHXSJAQZ-UHFFFAOYSA-N	303.311	0.859	70	10	DCIE	
O=C([C@@H]1OCC[C@H]1C(F)(F)F)N1CC(S(=O)(=O)F)C1	2231812426	LRHBVWIFFDCXJB-RNFRBKRXSA-N	305.249	0.464	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1ccnn1C1CC1	2287064105	XONNWUWALQKZLO-MRVPVSSYSA-N	302.331	0.236	70	10	DCIE	
O=C(Cc1ccc(Cl)nc1)N[C@H]1CCN(S(=O)(=O)F)C1	2287076630	ALIORDVTMFNWAF-VIFPVBQESA-N	321.761	0.682	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1csc([N+](=O)[O-])c1	2287076638	AMILREVYSYPZOU-ZETCQYMHSA-N	323.327	0.675	70	10	DCIE	
Cc1noc(C)c1CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287080184	QDAYFSMSABICOO-VIFPVBQESA-N	305.331	0.239	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1C[C@@]1(C)CCNC1=O	698368735	SHGFBKHBLJBAFL-LLVKDONJSA-N	305.787	0.899	70	10	DCIE	
Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H](C2)O3)c1S(=O)(=O)Cl	1899449497	XIVMGTOTRCZYIC-KNVOCYPGSA-N	305.743	0.259	70	10	DCIE	
CCOc1ccc(S(=O)(=O)N[C@H](C)COC)cc1CO	217296713	BPZSLDLPUKJWGA-SNVBAGLBSA-N	303.380	0.891	70	10	DCIE	
C[C@]1(n2nnnc2-c2ccc(F)cc2N)CCS(=O)(=O)C1	160012111	AONWKFOLJDXMEG-LBPRGKRZSA-N	311.342	0.595	70	10	DCIE	
CCOC(=O)CCS(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	160591546	BEHRVFICINRWBI-TZMCWYRMSA-N	319.423	0.896	70	10	DCIE	
CNC(=O)[C@H]1CNCCN1c1cnn(C(C)C)c(=O)c1Cl	159633674	GXDVMWYNVBMGRV-SNVBAGLBSA-N	313.789	0.002	70	10	DCIE	
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCS(=O)(=O)C(C)(C)C1	159925527	XARYPTMBDRIUJV-SNVBAGLBSA-N	318.439	0.573	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1cccc(F)n1	1974403545	ZZPLCKYVJMNQST-UHFFFAOYSA-N	305.306	0.629	70	10	DCIE	
CCSCC[C@@H](C)NC(=O)C[C@@H]1CS(=O)(=O)CCN1	160226711	BPHCQQJFNLLPPK-GHMZBOCLSA-N	308.469	0.411	70	10	DCIE	
CCc1c(C(=O)N2CCC(S(=O)(=O)F)CC2)cnn1C	2152894871	GUSGGOPNAHTGOF-UHFFFAOYSA-N	303.359	0.886	70	10	DCIE	
Cc1ncc(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)s1	2028132397	ZMCLEPVQSFZKAL-ZETCQYMHSA-N	314.385	0.514	70	10	DCIE	
COCCn1c(CC2(COC)CC2)nnc1S(=O)(=O)Cl	401510707	HKGQDDZJNYXVFO-UHFFFAOYSA-N	323.802	0.821	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CCS(=O)(=O)[C@@H](C)C2)n1	2172771094	UWZIACDBRSLQMC-ZETCQYMHSA-N	322.141	0.771	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)n1	2172768432	IZSZDVQXUXCWME-AOOOYVTPSA-N	319.137	0.925	70	10	DCIE	
CN(CC1[C@@H]2CS(=O)(=O)C[C@@H]12)c1ncc([B-](F)(F)F)cn1	2174650677	XVXDTGSZKXNQKC-UWVGGRQHSA-N	320.125	0.258	70	10	DCIE	
O=C([C@H]1COC2(CCC2)C1)N1CCN(S(=O)(=O)F)CC1	2284741349	QNSQAKXOJTZDEV-SNVBAGLBSA-N	306.359	0.304	70	10	DCIE	
COc1ccccc1CC(=O)NC[C@@H](O)Cn1ccccc1=O	218437979	IUZIOAHYLWMZTR-CQSZACIVSA-N	316.357	0.577	70	10	DCIE	
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@@H](N)CC(C)C	217843541	NQKUSQTUTOSHNF-RYUDHWBXSA-N	321.443	0.222	70	10	DCIE	
CNC(=O)[C@H]1CNCCN1S(=O)(=O)/C=C\c1ccccc1	216756050	JVDAGCJQALBUQR-PGJNLMOESA-N	309.391	0.007	70	10	DCIE	
NS(=O)(=O)c1ccc(S(=O)(=O)F)c(Br)c1	1928372436	DMTLNGMYWNGHHD-UHFFFAOYSA-N	318.145	0.755	70	10	DCIE	
COCCS(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	159372983	WCCDYFYBOQPHIY-JTQLQIEISA-N	302.400	0.282	70	10	DCIE	
CCOC(=O)c1nnn(CCN2CCOCC2)c1C(F)F	159593148	ZCJDWPXWDSFQJO-UHFFFAOYSA-N	304.297	0.725	70	10	DCIE	
CCC[C@H](C(=O)N1CCOC[C@@H]1C(=O)NCC)C(N)=S	159774601	YRIDQBFBACQAMY-VHSXEESVSA-N	301.412	0.052	70	10	DCIE	
O=C1NCCN1CCn1cc(S(=O)(=O)Cl)nc1C1CC1	704290314	QGEFFRPHBNOTFN-UHFFFAOYSA-N	318.786	0.713	70	10	DCIE	
CCn1c(-c2nn(C)cc2[N+](=O)[O-])nnc1S(=O)(=O)Cl	2186534392	UKGZZQICXYKQAK-UHFFFAOYSA-N	320.718	0.534	70	10	DCIE	
CO[C@H]1CC[C@@H]1CC(=O)NC1CCN(S(=O)(=O)F)CC1	2186907432	LGVSSGLUBSTWGP-KOLCDFICSA-N	308.375	0.596	70	10	DCIE	
CO[C@@H]1CC[C@@H]1CC(=O)Nc1nn(C)cc1S(=O)(=O)F	2186902992	KQNTWVABMSFULG-HTQZYQBOSA-N	305.331	0.832	70	10	DCIE	
Cc1noc(C)c1S(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	2088469267	LGKPAMUXWMEGFY-QMMMGPOBSA-N	312.344	0.354	70	10	DCIE	
O=C(Cc1ccc(F)cc1F)NC1CN(S(=O)(=O)F)C1	2284151723	TZTVFYFWIOHLAH-UHFFFAOYSA-N	308.281	0.522	70	10	DCIE	
COCCn1c(-c2cncs2)nnc1S(=O)(=O)Cl	234675498	ZAFDEFIRQDGHEF-UHFFFAOYSA-N	308.772	0.976	70	10	DCIE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]1O2)c1cc(S(=O)(=O)Cl)c[nH]1	133520881	PYPDNFVWSYPSEJ-HKPALBBZSA-N	304.755	0.992	70	10	DCIE	
Cc1ncnc(N2CCS(=O)(=O)CCO2)c1[B-](F)(F)F	2116131520	YUOJXXZUAJWGBP-UHFFFAOYSA-N	310.086	0.006	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1CC(=O)NCCCOC	215874482	QGFIAWDIKSIIBK-UHFFFAOYSA-N	323.802	0.526	70	10	DCIE	
CNc1ncccc1S(=O)(=O)NCCCCOCCOC	160014336	BBZYIMAEDYBCPT-UHFFFAOYSA-N	317.411	0.845	70	10	DCIE	
CCNc1cc(N2CCOC[C@H]2C(=O)NC)nc(SC)n1	160537306	HWZJMLDPAUIELN-VIFPVBQESA-N	311.411	0.582	70	10	DCIE	
Cc1ccc(CN)cc1S(=O)(=O)NCC(=O)NC(C)(C)C	159868964	WEWXMLSIOWHYAK-UHFFFAOYSA-N	313.423	0.647	70	10	DCIE	
CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NS(=O)(=O)F)C1	1953574478	VGUWOWGMRQXTLT-ULCDLSAGSA-N	316.376	0.966	70	10	DCIE	
C[C@@H](C(=O)NC1CCN(S(=O)(=O)F)CC1)[C@H]1CCCO1	1974394967	SCYRDQYJVBXNTB-MWLCHTKSSA-N	308.375	0.596	70	10	DCIE	
COc1ccc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)c(O)c1	2144732608	HPBCDLMVSVGEMB-SECBINFHSA-N	303.311	0.915	70	10	DCIE	
O=C(N[C@@H]1CO[C@@H]2COC[C@@H]12)c1cc(S(=O)(=O)Cl)c[nH]1	2158070862	XCERALRSBBEEBK-FXBDTBDDSA-N	320.754	0.086	70	10	DCIE	
Cc1ncnc(N2CCOC[C@H]2CN(C)C)c1[B-](F)(F)F	2172768481	JRHYYXQSHNKGIG-SNVBAGLBSA-N	303.117	0.606	70	10	DCIE	
CN(CCCCS(=O)(=O)Cl)C1CCS(=O)(=O)CC1	694193694	LMXYMUXXTRALJT-UHFFFAOYSA-N	317.860	0.844	70	10	DCIE	
O=C(C1C[C@H]2COC[C@H](C1)C2)N1CC[C@H](S(=O)(=O)F)C1	2206846429	WLZBDAWVODNJAN-NHCYSSNCSA-N	305.371	0.949	70	10	DCIE	
CO[C@H]1CCC[C@@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	115799926	UEUOTYZSJKERCL-YUMQZZPRSA-N	321.786	0.943	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1Cc1ccccc1C(N)=S	159815549	YQTRRRLPLWXWOX-ZDUSSCGKSA-N	307.419	0.658	70	10	DCIE	
C[C@H](Cn1cncn1)NC(=O)c1cc(S(C)(=O)=O)cs1	160837249	IORXKBHLPAODQI-MRVPVSSYSA-N	314.392	0.562	70	10	DCIE	
CCCNCCn1cc(S(=O)(=O)NC[C@@H]2C[C@H]2C)cn1	160891678	PGTINBBEKVLUDQ-NEPJUHHUSA-N	300.428	0.817	70	10	DCIE	
C[C@H]1COCCN1S(=O)(=O)c1cccc(S(=O)(=O)F)c1	166143530	LBGRRFHSYVXBFA-VIFPVBQESA-N	323.367	0.754	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1CCOC1	228667131	KBSRKYSPRKIHJC-QMMMGPOBSA-N	306.771	0.954	70	10	DCIE	
O=S(=O)(Cl)CCOCCOn1nnc2ccccc21	311529546	KWRHEKRIMBQKRI-UHFFFAOYSA-N	305.743	0.445	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@H]1CCCS1(=O)=O	694502158	ZFIAYGJBNYGUFU-MRVPVSSYSA-N	312.800	0.696	70	10	DCIE	
Cc1c(C=O)c(C)c(B(O)O)c(C)c1CS(=O)(=O)Cl	1887514390	NNBMBVMRSPTWSU-UHFFFAOYSA-N	304.560	0.173	70	10	DCIE	
C[C@H]1CCN(S(=O)(=O)Cl)C[C@@H]1NC(=O)C(F)(F)F	1953573042	GPDCSPFAPZVSOT-WDSKDSINSA-N	308.709	0.859	70	10	DCIE	
COC(C)(C)CS(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2088706130	IPTXRRWNVCHFKG-UHFFFAOYSA-N	317.404	0.505	70	10	DCIE	
O=C(CCn1cc(S(=O)(=O)Cl)cn1)N1CCOCC1	2117132574	KBNVCWIMTXSHJW-UHFFFAOYSA-N	307.759	0.060	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N2C[C@@H]3COC[C@@H]32)c1	2186345240	RGRHWIHZEDHMMA-KCJUWKMLSA-N	321.351	0.364	70	10	DCIE	
O=C(COCc1ccccc1)N[C@H]1CCN(S(=O)(=O)F)C1	2241917739	VFOOVFJQMFKFJD-LBPRGKRZSA-N	316.354	0.608	70	10	DCIE	
COc1cscc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271497471	IINWLOXWLLXFDQ-ZETCQYMHSA-N	308.356	0.775	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2C[C@@H]3OCCO[C@@H]3C2)n1	2280501951	VVUPBILEVZNGGT-AOOOYVTPSA-N	303.069	0.749	70	10	DCIE	
O=S(=O)(F)C1CCN(S(=O)(=O)CCOCCF)CC1	2340021040	YUZJWZDPDTVQBG-UHFFFAOYSA-N	321.367	0.066	70	10	DCIE	
C[C@H]1CN(c2ccc3nnc(C4CC4)n3n2)CCS1(=O)=O	160763742	UOGCGHJXIKXPDU-VIFPVBQESA-N	307.379	0.625	70	10	DCIE	
C=CCNC(=O)C[S@](=O)Cc1ccc(S(=O)(=O)F)cc1	857219788	PULSMEXARCSDPL-LJQANCHMSA-N	319.379	0.896	70	10	DCIE	
O=C(Nc1cnc2nccn2c1)c1cc(S(=O)(=O)F)c[nH]1	1533710856	CAABMBQRANNMDO-UHFFFAOYSA-N	309.282	0.968	70	10	DCIE	
C[C@@H](CCNC[C@@H](C)O)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1668214640	MOFXZQHMZLJASI-DTWKUNHWSA-N	321.374	0.152	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)[nH]1	1923155873	GEEBEJGWZAPDGJ-HLTSFMKQSA-N	301.343	0.875	70	10	DCIE	
C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1S(=O)(=O)F	1954656222	MTRQBONWIYCIMB-DSYKOEDSSA-N	306.281	0.978	70	10	DCIE	
CO[C@@]1(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)CCCOC1	1973214890	NPFCZHLGXVZPTF-JQWIXIFHSA-N	309.359	0.472	70	10	DCIE	
O=C(N1CCN(S(=O)(=O)F)CC1)C(F)(F)CC1CC1	1974014080	DSIPPJFZCAMVKI-UHFFFAOYSA-N	300.302	0.780	70	10	DCIE	
O=S(=O)(N1CCC[C@H]([B-](F)(F)F)C1)N1CC[C@@H](O)C1	2070264563	QCOUKNJIFLXPMY-DTWKUNHWSA-N	301.119	0.611	70	10	DCIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)CC2CC(F)C2)C1	2092500520	WNVGXZZSZIOEID-RTBKNWGFSA-N	317.379	0.828	70	10	DCIE	
CCN(c1ncc([B-](F)(F)F)cn1)[C@@H]1CCS(=O)(=O)C1	2116139553	AXZIALYAYGGNLG-SECBINFHSA-N	308.114	0.544	70	10	DCIE	
CCCc1nc(S(=O)(=O)Cl)cn1Cc1nc(=O)o[nH]1	2116629894	IQXVLPZXIOUSEH-UHFFFAOYSA-N	306.731	0.488	70	10	DCIE	
O=c1nc(Cn2cc(S(=O)(=O)Cl)nc2C2CC2)[nH]o1	2116630026	MIYXTVNPFSEEHB-UHFFFAOYSA-N	304.715	0.413	70	10	DCIE	
C=CCNC(=O)Cn1nc(OC)c(S(=O)(=O)Cl)c1OC	2149827935	VHOQRDUIEZPXLD-UHFFFAOYSA-N	323.758	0.130	70	10	DCIE	
CCc1[nH]nc(C(=O)N2CCO[C@@H]3C[C@H]32)c1S(=O)(=O)Cl	2171920837	LBLXABUMHOTLLC-HTQZYQBOSA-N	319.770	0.513	70	10	DCIE	
COc1nc(N(C)[C@@H]2CCS(=O)(=O)C2)ncc1[B-](F)(F)F	2172767805	YUOQQKFRXMQYGJ-SSDOTTSWSA-N	324.113	0.163	70	10	DCIE	
COc1csc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1	2271495986	SJDQDAOXHPTEFP-ZETCQYMHSA-N	308.356	0.775	70	10	DCIE	
CCN(CC)S(=O)(=O)NC[C@@H](O)c1ccccc1OC	159374111	ZZHRFZGDMAIPOF-GFCCVEGCSA-N	302.396	0.905	70	10	DCIE	
COCCN(CCC(N)=S)c1nc(OC)cc(OC)n1	159764791	BXMVBOHWZKWZLU-UHFFFAOYSA-N	300.384	0.623	70	10	DCIE	
COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1OCC[C@H]1C	160269864	DVSXQUFEPCXGBQ-PRHODGIISA-N	314.363	0.706	70	10	DCIE	
CN[C@H](c1c(Cl)cnn1CCOC)[C@@H]1CN(C)CCO1	161051384	QNQTZUCATRUWGR-RYUDHWBXSA-N	302.806	0.774	70	10	DCIE	
COC(=O)CNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	217287630	PWXHCEJOHXXPKH-LBPRGKRZSA-N	305.334	0.260	70	10	DCIE	
O=[N+]([O-])c1cnc(S(=O)(=O)CCS(=O)(=O)Cl)s1	226786754	HAGUMYFCPUXHQD-UHFFFAOYSA-N	320.757	0.394	70	10	DCIE	
C[C@H](c1nnc(S(=O)(=O)Cl)n1C1CC1)n1cncn1	235535285	MCVFXICOBKPREK-ZCFIWIBFSA-N	302.747	0.741	70	10	DCIE	
N#C[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	694023130	PLJIVFGPLMUCJI-SECBINFHSA-N	318.351	0.879	70	10	DCIE	
C=CCN[C@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1317405818	LZKUVUFSAAKYBS-SECBINFHSA-N	303.359	0.957	70	10	DCIE	
CC(=O)NC[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1688852453	ACCFNDDMBXPISK-ZETCQYMHSA-N	305.331	0.175	70	10	DCIE	
CO[C@@H](C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F)C1CCC1	1923163113	BDKZOVXJTVFPHB-SECBINFHSA-N	305.331	0.254	70	10	DCIE	
CCn1c(C2(S(C)(=O)=O)CC2)nnc1S(=O)(=O)Cl	2048926865	IIHPRFSAZGOCAA-UHFFFAOYSA-N	313.788	0.259	70	10	DCIE	
CN(CCS(=O)(=O)N(C)C)c1nc([B-](F)(F)F)cs1	2052595963	AJGLDWNAFFGKMD-UHFFFAOYSA-N	316.159	0.525	70	10	DCIE	
O=S(=O)(NC1CCN(S(=O)(=O)F)CC1)C1CCCC1	2112718285	LJLPGOURLTWCFO-UHFFFAOYSA-N	314.404	0.527	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)NC1(C)COC1	2132743677	FXIBIQVUTJNTTO-UHFFFAOYSA-N	306.771	0.954	70	10	DCIE	
COc1nn(C[C@H]2CCC(=O)N2)c(OC)c1S(=O)(=O)Cl	2149827568	QJXAHCZRBFNYLO-ZCFIWIBFSA-N	323.758	0.106	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)N1CCO[C@H](CF)C1	2172082316	ZVCQXAVZMSPOGT-MRVPVSSYSA-N	324.761	0.763	70	10	DCIE	
Cc1ccnc(N2CC[C@H](NS(C)(=O)=O)C2)c1[B-](F)(F)F	2172778677	SEPWMXDJSIAHFJ-VIFPVBQESA-N	322.141	0.572	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@H]1OCC[C@@H]1F	2179095177	FVUNUGXYVWQUQX-WCBMZHEXSA-N	324.761	0.809	70	10	DCIE	
Cc1nn(C[C@@H]2COCCN2C)c(C)c1S(=O)(=O)Cl	2267857555	HFEVVSXKLDYDAL-SNVBAGLBSA-N	307.803	0.758	70	10	DCIE	
C[C@@H]1CC(OC(=O)NS(=O)(=O)Cl)C[C@@H](C)S1(=O)=O	2327532347	VLGCEBHJGCXLES-PHDIDXHHSA-N	319.788	0.550	70	10	DCIE	
O=C(O)CN1CCc2ccc(S(=O)(=O)Cl)cc2C1=O	108263423	IHOKBRPUUOKWFP-UHFFFAOYSA-N	303.723	0.697	70	10	DCIE	
CCNC(=O)NC(=O)[C@H](C)n1cc(S(=O)(=O)Cl)cn1	215732387	GZCCPTBUWPSMGI-LURJTMIESA-N	308.747	0.217	70	10	DCIE	
COc1cccc(CC(=O)NC[C@@H](O)Cn2ccccc2=O)c1	218428946	OWBJZJAUSDHUDF-CQSZACIVSA-N	316.357	0.577	70	10	DCIE	
COc1ccccc1OCNC(=O)NCCN1CCNCC1	217308815	PYYIOGVBXSFNLJ-UHFFFAOYSA-N	308.382	0.236	70	10	DCIE	
CCCOC1(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CC1	2166559080	PONTVFHQRDKBEI-UHFFFAOYSA-N	305.331	0.398	70	10	DCIE	
O=C(N[C@@H]1[C@H]2COC[C@H]21)c1cccc(S(=O)(=O)Cl)c1	2118024581	BMFHHQUCERECQG-URLYPYJESA-N	301.751	0.989	70	10	DCIE	
C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)c2ncnn2C1	1597945421	LSLIVVRXCCETTQ-ZETCQYMHSA-N	313.314	0.561	70	10	DCIE	
COC(=O)Cn1ncc(N2CC[C@@H]([C@@H](C)N)C2)c(Cl)c1=O	160003595	ONCUYSHAAUKGMT-RKDXNWHRSA-N	314.773	0.243	70	10	DCIE	
CC(C)(C)C(=O)NCC(=O)N1CCS(=O)(=O)C(C)(C)C1	160172680	GZDKPCHPCPWXGG-UHFFFAOYSA-N	304.412	0.184	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)NC[C@H](O)C2CCCCC2)C[C@@H](C)O1	159545021	YGTLNVJEKNKGJW-BZPMIXESSA-N	320.455	0.871	70	10	DCIE	
COc1cccc(C(=O)N2CCN(S(=O)(=O)F)CC2)n1	1974001660	YCYBBHKNEVUBNF-UHFFFAOYSA-N	303.315	0.062	70	10	DCIE	
C[C@H]1OC2(C)CC1(C(=O)NCC1CN(S(=O)(=O)F)C1)C2	1974055125	MYVGEWKVQFRTRS-HUUUCTMMSA-N	306.359	0.206	70	10	DCIE	
CC[C@@H](CCCN1CCS(=O)(=O)CC1)S(=O)(=O)Cl	2037941818	JAZLQIGLABVUAY-JTQLQIEISA-N	317.860	0.844	70	10	DCIE	
F[B-](F)(F)c1cnc(N2CCO[C@@H]([C@H]3CCOC3)C2)nc1	2172774170	LNCCAZKJFBQFKI-GXSJLCMTSA-N	302.085	0.773	70	10	DCIE	
O=C(C[C@H]1C[C@H]1C(F)(F)F)N1CCN(S(=O)(=O)F)CC1	2185244049	WXNQJOXKZYBQHP-HTQZYQBOSA-N	318.292	0.933	70	10	DCIE	
CCCN(CCC)S(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2088469955	SDXOQOHKVIMMOY-SNVBAGLBSA-N	316.420	0.727	70	10	DCIE	
Cc1nn(C[C@@H]2CCNC(=O)C2)c(C)c1S(=O)(=O)Cl	2109226374	YQIOYZWMIOFVCA-SECBINFHSA-N	305.787	0.954	70	10	DCIE	
O=S(=O)(F)c1ccc(NS(=O)(=O)c2ccns2)cn1	2110216521	SPVPGNWDFXXXKI-UHFFFAOYSA-N	323.352	0.997	70	10	DCIE	
CCCn1c(CCn2cnnc2)nnc1S(=O)(=O)Cl	2090394743	VRWQUOLDRBSFHN-UHFFFAOYSA-N	304.763	0.450	70	10	DCIE	
COCCCCCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2099304085	LICIIGHYCPWVKI-UHFFFAOYSA-N	310.759	0.693	70	10	DCIE	
C[C@H]1CC[C@@H](S(C)(=O)=O)CN1c1ncc([B-](F)(F)F)cn1	2279396181	XCACFHCMKLPZLC-WCBMZHEXSA-N	322.141	0.933	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cc(O)cc(O)c1	2287072230	LGYKMARRJUDQAB-MRVPVSSYSA-N	304.299	0.116	70	10	DCIE	
COCc1nc(CS(N)(=O)=O)sc1CNC(C)(C)C	159394966	QOALBKNKBGBUOE-UHFFFAOYSA-N	307.441	0.966	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)C[C@H]2CNCCO2)c1	160322470	JXHIIWWHPAEXGH-VIFPVBQESA-N	314.363	0.113	70	10	DCIE	
CCN(CC(=O)NC1CCN(C2CC2)CC1)Cc1cnn(C)c1	161113164	DUDGNIHYWOEDNC-UHFFFAOYSA-N	319.453	0.985	70	10	DCIE	
O=S(=O)(F)c1cccc(S(=O)(=O)N[C@]23COC[C@H]2C3)c1	718104109	YZZXEXQIYJJCDQ-LDYMZIIASA-N	321.351	0.412	70	10	DCIE	
O=C(N[C@@H]1C[C@H](O)C12CCC2)c1cc(S(=O)(=O)F)c[nH]1	1123818697	AMJVZLZPMRGGPE-ZJUUUORDSA-N	302.327	0.706	70	10	DCIE	
CC1(C)C[C@@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)CO1	1974394148	DQRGJHSUFOBKHS-SECBINFHSA-N	308.375	0.596	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1C[C@@]12CCOC2	1974394843	QHYJSVGRKTWJBT-CMPLNLGQSA-N	306.359	0.208	70	10	DCIE	
COC[C@@H]1C[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	2117727219	GHNJOEJLGJRLRX-CBAPKCEASA-N	306.771	0.717	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)c2cccnc2)C1	2134973073	MAHWNDKHTJHLMT-UHFFFAOYSA-N	308.356	0.392	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@]23C[C@H](CO2)C3)c1S(=O)(=O)Cl	2194323139	XWMQYYLYTKXYDO-DGFRNANFSA-N	319.770	0.554	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cccc(O)c1Cl	2268805647	LPCRHCKFLXLHGF-UHFFFAOYSA-N	308.718	0.674	70	10	DCIE	
O=C(CCc1ccc(F)cc1)NC1CN(S(=O)(=O)F)C1	2284149274	AFIVOAVGUWNNAY-UHFFFAOYSA-N	304.318	0.773	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(-n2cc(S(C)(=O)=O)cn2)n1	2289126039	HOSYGWXTJWKJJS-UHFFFAOYSA-N	320.081	0.734	70	10	DCIE	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(S(=O)(=O)Cl)c1C#N	158941542	XSKPAOZYUQZSFM-SSDOTTSWSA-N	323.783	0.350	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cc(C)cc(N)c2)CCOC1	159900078	MFNOTWFALDCHNV-CYBMUJFWSA-N	300.380	0.661	70	10	DCIE	
CC(C)(CNC(=O)c1cccc(N)c1Cl)NS(C)(=O)=O	160315327	KHOVRPAFOMMWSN-UHFFFAOYSA-N	319.814	0.980	70	10	DCIE	
COCCCn1ccc(NC(=O)c2nc(C)c(C)[nH]c2=O)n1	160404359	YRKCOUNZTSERHJ-UHFFFAOYSA-N	305.338	0.872	70	10	DCIE	
O=C1OC2(CCN(C(=O)Cn3cncn3)CC2)c2ccccc21	217530361	YNQBNIBMTFCLAA-UHFFFAOYSA-N	312.329	0.966	70	10	DCIE	
C[C@@H]1CN(CCCS(=O)(=O)Cl)C[C@@H](C)S1(=O)=O	400877278	NKGSQLGYAWUBGZ-RKDXNWHRSA-N	303.833	0.453	70	10	DCIE	
C[C@H](Cn1cc(S(=O)(=O)Cl)cn1)CS(C)(=O)=O	689699239	UQWUOXLSXWOKMO-SSDOTTSWSA-N	300.789	0.491	70	10	DCIE	
CS(=O)(=O)c1ccc2c(c1)N(CCS(=O)(=O)F)CCO2	883954296	HGDUNUWHGYVODZ-UHFFFAOYSA-N	323.367	0.588	70	10	DCIE	
O=S1(=O)CC(COc2ccc(S(=O)(=O)F)cc2F)C1	1875865218	UGJQTHCNGRUQRE-UHFFFAOYSA-N	312.315	0.907	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)CC[C@@H]2CCCO2)n1	1923177693	LDCVUJFHVOLZBJ-QMMMGPOBSA-N	305.331	0.976	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)c2cccnc2)n1	1923192714	MFMVXSQMMSTDCQ-UHFFFAOYSA-N	320.327	0.274	70	10	DCIE	
CC(=O)N[C@@H](Cc1ccc(OS(=O)(=O)F)cc1)C(=O)O	2081111957	CPBKNNWBJFGLJQ-JTQLQIEISA-N	305.283	0.412	70	10	DCIE	
CS(=O)(=O)NC1CCN(c2ccc([B-](F)(F)F)cn2)CC1	2172772884	TZICFQCSVMCSPL-UHFFFAOYSA-N	322.141	0.654	70	10	DCIE	
CN(C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1ncncc1[B-](F)(F)F	2174650633	XLRAKIGIHDOWNZ-PSVAKVPMSA-N	320.125	0.258	70	10	DCIE	
O=C(N1CCC[C@H](S(=O)(=O)F)C1)C(F)(F)[C@H]1CCOC1	2185237631	VBLQGSDVZQALLP-IUCAKERBSA-N	315.313	0.949	70	10	DCIE	
O=S(=O)(F)c1ccc(OCCN2CCCS2(=O)=O)cc1	2191431935	TXDCCAXMXLIGEQ-UHFFFAOYSA-N	323.367	0.759	70	10	DCIE	
C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CCS1	2271487656	AXWQWGUIDCZCQS-KXUCPTDWSA-N	310.416	0.923	70	10	DCIE	
CO[C@@H]1C[C@H](C(=O)NC2CN(S(=O)(=O)F)C2)C12CCC2	2284152162	XVBRCWVXXMFCRW-NXEZZACHSA-N	306.359	0.206	70	10	DCIE	
COCCn1c([C@H]2C[C@]2(C)COC)nnc1S(=O)(=O)Cl	2284710197	NRSIKPWEFGKYOX-LDYMZIIASA-N	323.802	0.992	70	10	DCIE	
O=S(=O)(N1CC[C@H]([B-](F)(F)F)C1)N1CCC[C@H]1CO	2319671841	MQKRBNUTSXOATA-IUCAKERBSA-N	301.119	0.611	70	10	DCIE	
O=S(=O)(CCC1(S(=O)(=O)Cl)CC1)N1CCCC1	696415979	JQDBFNOJVGMMME-UHFFFAOYSA-N	301.817	0.903	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1CCCS1	715813789	BLCUVCYUAFREHU-ZCFIWIBFSA-N	310.784	0.772	70	10	DCIE	
O=C(NCc1ccc(S(=O)(=O)Cl)cc1)[C@@H]1COCCO1	108176126	WAAIBEJFKVCMTC-NSHDSACASA-N	319.766	0.646	70	10	DCIE	
NN[C@@H](Cc1cncc(Br)c1)[C@@H]1COCCO1	161148111	UJULQGFMWPIUQT-QWRGUYRKSA-N	302.172	0.634	70	10	DCIE	
Cc1c(C(=O)N2CCO[C@@H](C)[C@@H]2C)cccc1S(N)(=O)=O	160038368	DQTWIXIWGDWSGM-QWRGUYRKSA-N	312.391	0.892	70	10	DCIE	
Nc1ccc(F)c(S(=O)(=O)NCCNC(=O)C2CC2)c1	160645118	DOZANIHWLQMIHX-UHFFFAOYSA-N	301.343	0.212	70	10	DCIE	
CCOC(CNC(=O)[C@]1(N)[C@@H]2CCO[C@@H]2C1(C)C)OCC	160663962	LSXWZZIVVICLGL-IFUGULHKSA-N	300.399	0.644	70	10	DCIE	
NC(=O)c1ccc(OCCC(=O)N2C[C@@H]3CCC[C@H](C2)N3)cc1	159418672	RXDXBSLLFOSQOH-OKILXGFUSA-N	317.389	0.907	70	10	DCIE	
Cc1cc(F)c(N)cc1S(=O)(=O)NCC(=O)NC(C)(C)C	159845426	XKCKCVJLZWBXRX-UHFFFAOYSA-N	317.386	0.909	70	10	DCIE	
COC(=O)Cn1ncc(N[C@@H](CN)CC(C)C)c(Cl)c1=O	159463514	IKWXWKZFEKGDQD-SECBINFHSA-N	316.789	0.855	70	10	DCIE	
CC1CC(S(=O)(=O)Nc2nn(C)cc2S(=O)(=O)F)C1	1923155453	BUMQWKKXLALRTR-UHFFFAOYSA-N	311.360	0.619	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CCC[C@H]3C[C@@H]32)[nH]1	1923163900	NFZZMCMWHOGGKR-YIZRAAEISA-N	301.343	0.875	70	10	DCIE	
Cn1nnc(COc2c(F)cc(S(=O)(=O)Cl)cc2F)n1	236104016	YRNAAVQZOLEIPY-UHFFFAOYSA-N	324.696	0.995	70	10	DCIE	
COC[C@H](N)[C@@H](CO)Sc1ccc(S(C)(=O)=O)cc1	160204545	PCVHGUOJWWKPON-NWDGAFQWSA-N	305.421	0.517	70	10	DCIE	
C[C@@H](CCS(C)(=O)=O)N(C)CCCS(=O)(=O)Cl	1997953905	ORUIKSHBMOKRLM-VIFPVBQESA-N	305.849	0.700	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)OC[C@H]1COCCO1	2154023175	MWOTYYAQZSGSHA-MRVPVSSYSA-N	323.754	0.525	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2CC[C@H]2N(C)C)c1S(=O)(=O)Cl	2157690717	BDBGIMUVYQTPOJ-JGVFFNPUSA-N	320.802	0.468	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CC[C@@H](N2CCOCC2)C1	2172774312	MZRVSASFKJDTAL-SNVBAGLBSA-N	301.101	0.442	70	10	DCIE	
COCCn1c([C@H]2[C@H]3OCCC[C@@H]32)nnc1S(=O)(=O)Cl	2176467126	VCYJZIPHOUTNBV-HLTSFMKQSA-N	321.786	0.744	70	10	DCIE	
CCn1nnc(CN(C)c2ncc([B-](F)(F)F)cc2F)n1	2197852234	IHTKOLOAXTZVPT-UHFFFAOYSA-N	303.052	0.918	70	10	DCIE	
O=C1NCC[C@@H]1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)F	2191433116	UGYAMRFWHQGFSK-QMMMGPOBSA-N	304.255	0.520	70	10	DCIE	
CS(=O)(=O)CCOc1ccc(F)cc1S(=O)(=O)F	2071432393	OZFCDNSGBDTUIH-UHFFFAOYSA-N	300.304	0.907	70	10	DCIE	
CC(F)(F)[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)F)CC1	2108154310	OUWNVLFQKVDIPF-SFYZADRCSA-N	300.302	0.636	70	10	DCIE	
Cc1nc(Cl)ncc1C(=O)NC1CN(S(=O)(=O)F)C1	2268801963	VRIYSZQRWFTIAV-UHFFFAOYSA-N	308.722	0.067	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1OC[C@@H]2CCCC[C@H]21	2284153023	GEUNVKIKVUAULX-JMJZKYOTSA-N	306.359	0.206	70	10	DCIE	
CC1CCC2(CC1)NC(=O)N(Cc1nnc(NN)s1)C2=O	159685951	VXXAPNQAGQRAAU-UHFFFAOYSA-N	310.383	0.824	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1ccc(F)cc1C(N)=S	159793122	MVGGCFMNNLAKGL-GFCCVEGCSA-N	311.382	0.801	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1CCC(C)(C)C(N)=S	159822707	WUZJUCUFNZSVMF-NSHDSACASA-N	301.456	0.914	70	10	DCIE	
CCCC[C@@H](CN)Nc1cnn(CC(=O)OC)c(=O)c1Cl	159830677	SBLPKJRXIBXYAR-VIFPVBQESA-N	316.789	0.999	70	10	DCIE	
CCN1CCCN(C(=O)NC[C@H]2CCCN2CCOC)CC1	159843385	ZDCFYNQOGOZPHK-OAHLLOKOSA-N	312.458	0.834	70	10	DCIE	
CC(C)(C(N)=S)N1CCN(c2ccn3nccc3n2)CC1	160894605	PXXOEVUDWYMOHM-UHFFFAOYSA-N	304.423	0.916	70	10	DCIE	
NS(=O)(=O)c1ccc(CCNC(=O)NC(F)(F)F)cc1	217267002	AWJMPRRQJSQKPN-UHFFFAOYSA-N	311.285	0.696	70	10	DCIE	
CN(C)CCN(C(=O)c1cccn(C)c1=O)C1CCOCC1	217284216	PCCOUXOYWQTEGO-UHFFFAOYSA-N	307.394	0.568	70	10	DCIE	
CCOC(=O)NCCNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	217286309	MIVGQEBVMHMGKJ-JTQLQIEISA-N	314.386	0.431	70	10	DCIE	
CN1N=C(C(=O)Nc2ncc(S(=O)(=O)F)s2)CCC1=O	1623768629	JENKHVDDZWDJSW-UHFFFAOYSA-N	320.327	0.348	70	10	DCIE	
CC[C@@H](CCOC)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923174235	PVMPUEJUJKLEIP-QMMMGPOBSA-N	307.347	0.501	70	10	DCIE	
CC(C)(C)OC(=O)N[C@H]1COCCN(S(=O)(=O)Cl)C1	1953574064	RJQGTRHJCYMWAH-MRVPVSSYSA-N	314.791	0.696	70	10	DCIE	
CN([C@@]1(CNC(=O)OC(C)(C)C)CCOC1)S(=O)(=O)F	1954657660	ZSWCPILJNWDMJF-LLVKDONJSA-N	312.363	0.816	70	10	DCIE	
O=C(Cc1ccccc1[N+](=O)[O-])N1CC(S(=O)(=O)F)C1	1968217405	KWSBBRTZIMYUPN-UHFFFAOYSA-N	302.283	0.647	70	10	DCIE	
CCN1C[C@@H](C(=O)N2CCC(S(=O)(=O)F)CC2)CC1=O	1968218561	WTTBSAWXCNFUKS-VIFPVBQESA-N	306.359	0.145	70	10	DCIE	
O=C(c1cccc(F)c1F)N1CCN(S(=O)(=O)F)CC1	1974000946	JVDRWXBKWDOOCG-UHFFFAOYSA-N	308.281	0.937	70	10	DCIE	
Cc1[nH]nc(C(=O)N2CCO[C@H]3C[C@H]32)c1S(=O)(=O)Cl	2115272662	XZFMTNJZZZTFMA-RQJHMYQMSA-N	305.743	0.259	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@H]2CO[C@H](C)C2)c1S(=O)(=O)Cl	2115707696	RVCOTFAZCKYLHX-IYSWYEEDSA-N	308.743	0.980	70	10	DCIE	
CCn1cnnc1Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	2153680317	UPVFKGSHAOYZHE-UHFFFAOYSA-N	320.718	0.379	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2C[C@@H]2C(C)(F)F)[nH]1	2164439458	WPEOJYSNEAMTAX-RITPCOANSA-N	311.285	0.730	70	10	DCIE	
O=S(=O)(NC1CCN(S(=O)(=O)F)CC1)c1cccnc1	2169020801	GHWRKVVTJHQYAO-UHFFFAOYSA-N	323.371	0.039	70	10	DCIE	
Cc1nc(N2C[C@H]3[C@@H](C2)OCCN3C)ncc1[B-](F)(F)F	2172757628	DQORJAPHXYGXLW-WDEREUQCSA-N	301.101	0.359	70	10	DCIE	
CCn1ncnc1Cn1cc(S(=O)(=O)Cl)nc1COC	2182343879	PKNGJFMGLAKBLN-UHFFFAOYSA-N	319.774	0.617	70	10	DCIE	
O=C(NCC1COCCOC1)c1cc(S(=O)(=O)Cl)c[nH]1	2188046593	MXKXMFCHEYPRGD-UHFFFAOYSA-N	322.770	0.335	70	10	DCIE	
CCNC(=O)COc1ccc([N+](=O)[O-])cc1S(=O)(=O)F	2191431614	JXKSUWYJBGQXQT-UHFFFAOYSA-N	306.271	0.768	70	10	DCIE	
O=C(c1cc([N+](=O)[O-])ccc1F)N1CC(S(=O)(=O)F)C1	2199697313	JJCKSTDYKRZVCQ-UHFFFAOYSA-N	306.246	0.858	70	10	DCIE	
O=S(=O)(N1CCC(O)CC1)N1CC[C@H]([B-](F)(F)F)C1	2319670487	GMHRALFUTDSLQZ-QMMMGPOBSA-N	301.119	0.611	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1OC[C@@H]2CCCC[C@H]12	2359394275	GEUNVKIKVUAULX-LSJOCFKGSA-N	306.359	0.206	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1snnc1C1CC1	2361147390	HFQXKNIEOGSSOY-SSDOTTSWSA-N	320.371	0.434	70	10	DCIE	
COc1ccc(CCNC(=O)NCCOCCO)cc1OC	217308023	QAPZHKKEIIGXKE-UHFFFAOYSA-N	312.366	0.554	70	10	DCIE	
COC[C@@H](C)N(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1714559869	HSRRHIFLYCRBRN-SECBINFHSA-N	321.374	0.369	70	10	DCIE	
CCS(=O)(=O)[C@H]1CSCCN1C(=O)N1CCOCC1	160660575	HFQRJQZGKWFORW-JTQLQIEISA-N	308.425	0.248	70	10	DCIE	
NC(=S)c1ccnc(N2CCOC[C@H]2C(=O)NC2CC2)c1	159807082	LKMTVFKGKABCHV-NSHDSACASA-N	306.391	0.200	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1C(=O)C(CC)(CC)C(N)=S	159772420	XPPIRBLHLUSGGZ-JTQLQIEISA-N	315.439	0.442	70	10	DCIE	
CCNc1cc(S(=O)(=O)NCC(=O)NC(C)(C)C)ccn1	159969887	ARZOAMPVCNOCKL-UHFFFAOYSA-N	314.411	0.706	70	10	DCIE	
CC[C@]1(C(=O)NCC2CN(S(=O)(=O)F)C2)CC1(F)F	1974055607	TWMXPNWREQSFEF-SECBINFHSA-N	300.302	0.684	70	10	DCIE	
Cn1nccc1C=CC(=O)N1CCC[C@H](S(=O)(=O)F)C1	2144732478	GISOJYRTAAJEOX-NSHDSACASA-N	301.343	0.724	70	10	DCIE	
CS(=O)(=O)N1CCN(c2ccc(C(N)=S)c(F)c2)CC1	160556449	FOEGLUKRCGICEP-UHFFFAOYSA-N	317.411	0.542	70	10	DCIE	
CO[C@@H]1COC[C@@H]1N(C)c1nc(C)nc(C)c1[B-](F)(F)F	2177283569	NPSXTOCGVMRSGI-VHSXEESVSA-N	304.101	0.998	70	10	DCIE	
COCCn1c(-c2ccsn2)nnc1S(=O)(=O)Cl	705435657	ZTYIQXXIWANAAK-UHFFFAOYSA-N	308.772	0.976	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCC[C@H]2CS(C)(=O)=O)n1	2172767598	WITDBVZUWZHAFF-VIFPVBQESA-N	322.141	0.853	70	10	DCIE	
Cc1ncnc(N2CC[C@@H]3OCCO[C@@H]3C2)c1[B-](F)(F)F	2172769127	SOSLTOONKOMGIK-VHSXEESVSA-N	302.085	0.834	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)C12CCC(CC1)OC2	2192884256	DQMRIGLQZUAZKF-UHFFFAOYSA-N	306.359	0.208	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CC(N3CC(F)C3)C2)n1	2280636550	HVUQBMFJKVGTFS-UHFFFAOYSA-N	304.076	0.987	70	10	DCIE	
COC[C@]1(C)C[C@H]1NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2284693342	XRXCJELCWSVSOC-HQJQHLMTSA-N	321.786	0.800	70	10	DCIE	
O=C(CSc1ccncc1)N[C@@H]1CCN(S(=O)(=O)F)C1	2287072766	ZSNMNMZSLXKEFU-SECBINFHSA-N	319.383	0.579	70	10	DCIE	
CC(C)c1nc(S(=O)(=O)Cl)cn1Cc1nnn(C)n1	232739727	UCUKLTHAUPLRSM-UHFFFAOYSA-N	304.763	0.506	70	10	DCIE	
C[C@H]1CN(CCCCS(=O)(=O)Cl)C[C@@H](C)S1(=O)=O	689035847	DCSHFLNHVLHDEA-AOOOYVTPSA-N	317.860	0.843	70	10	DCIE	
CN(c1ncncc1[B-](F)(F)F)C1CCS(=O)(=O)CC1	2116138502	NILBIFIEDWYWLE-UHFFFAOYSA-N	308.114	0.544	70	10	DCIE	
C#CCCN(C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1569138542	CQWXVTRPAFLWRU-JTQLQIEISA-N	315.370	0.746	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1c(F)cc(CO)cc1F	160073207	RJAOFQNWTNLSLR-GFCCVEGCSA-N	300.305	0.798	70	10	DCIE	
CCCCOCCOC[C@@H](O)CNCCNC(=O)N(C)C	160929615	MGHFQCSLKPJTGB-ZDUSSCGKSA-N	305.419	0.041	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2CCO[C@@H]2C)c1S(=O)(=O)Cl	235599991	JZNXRCHQXOBXSB-HTQZYQBOSA-N	321.786	0.800	70	10	DCIE	
CCn1nnc(-c2nnc(S(=O)(=O)Cl)n2CC)c1C	1923536372	SASAOKLPSTXXOU-UHFFFAOYSA-N	304.763	0.812	70	10	DCIE	
CS(=O)(=O)C[C@H]1CCCN1CCCS(=O)(=O)Cl	1946000979	KSZITFKBMICDJA-SECBINFHSA-N	303.833	0.454	70	10	DCIE	
CC[C@H]1CC[C@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)O1	1974394471	JNDLSFDSOHOLTA-WDEREUQCSA-N	308.375	0.739	70	10	DCIE	
COCCn1ncc(N(C)[C@H]2CCCNC2)c(Cl)c1=O	159419252	CHXHHZGALHKKLY-JTQLQIEISA-N	300.790	0.731	70	10	DCIE	
Cc1cc(N2C[C@H]3[C@@H](C2)OCCN3C)ncc1[B-](F)(F)F	2172780532	RNLOQYAFNLYOFZ-NWDGAFQWSA-N	300.113	0.964	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC(=O)N(C)C(C)C	2182344815	VVTNCKOPYLXLCN-UHFFFAOYSA-N	323.802	0.824	70	10	DCIE	
CNC(=O)CCOc1ccc(S(=O)(=O)F)cc1C(=O)O	2191434014	FZPSEASUWWUCBN-UHFFFAOYSA-N	305.283	0.558	70	10	DCIE	
O=C(CSc1cccs1)NC1CN(S(=O)(=O)F)C1	2256751736	VBFCHWZYCHKOMH-UHFFFAOYSA-N	310.397	0.855	70	10	DCIE	
C[C@@H](CC(F)(F)F)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271486704	AHGSJAPDFYZUHO-BQBZGAKWSA-N	306.281	0.980	70	10	DCIE	
COc1ccncc1C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287080340	ZFSZHKHHLAXDFC-QMMMGPOBSA-N	303.315	0.109	70	10	DCIE	
C[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)F)c1	460094519	NIGLKWGCTQPGTH-MRVPVSSYSA-N	306.340	0.877	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@H]2CCN3CCC[C@H]23)cc1N	159596307	ARVNYESUXVRFSO-QWHCGFSZSA-N	310.423	0.826	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1ncnc(Cl)c1OC	160259996	BNYNFYKNOIGKFV-MRVPVSSYSA-N	300.746	0.480	70	10	DCIE	
CC(C)N1CC[C@@H](CNC[C@@H](O)COc2cnsn2)C1	218759911	OKXKIAWVDLTZPN-NWDGAFQWSA-N	300.428	0.598	70	10	DCIE	
O=S(=O)(Cl)CCCN1CC[C@H]2CC[C@@H](C1)S2(=O)=O	708847905	QTHSHABATQSOCL-ZJUUUORDSA-N	315.844	0.597	70	10	DCIE	
COCC(C)(C)Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	712669502	SDAGICWUCMHXRD-UHFFFAOYSA-N	310.759	0.549	70	10	DCIE	
CO[C@@H]1CCOC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	725040812	FCUFQLCBLMOJSF-VHSXEESVSA-N	322.770	0.476	70	10	DCIE	
C[C@H]1[C@@H](C)[C@@H]1S(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	1923157325	VPXHPFCQRQOYIX-BDINMYNLSA-N	311.360	0.474	70	10	DCIE	
Cn1cc([N+](=O)[O-])c(Cn2cnc(S(=O)(=O)Cl)c2)n1	2102872013	DQFVJVXWCOYESW-UHFFFAOYSA-N	305.703	0.501	70	10	DCIE	
Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)cc1C	2134976572	ZJJRGWRUDVCQRN-UHFFFAOYSA-N	307.368	0.976	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2191168718	XNZXHKKKZRKABH-CRKKBNSPSA-N	316.766	0.778	70	10	DCIE	
Cn1nnc(COc2ccc(S(=O)(=O)F)c(F)c2F)n1	2191431723	RMRQGFWMKAARTG-UHFFFAOYSA-N	308.241	0.726	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NC[C@]12C[C@H](CO1)C2	2194320583	HKGXKOKYHUUTAD-LYWQIFSTSA-N	318.782	0.861	70	10	DCIE	
O=C([C@@H]1COC2(CCC2)C1)N1CCN(S(=O)(=O)F)CC1	2284741348	QNSQAKXOJTZDEV-JTQLQIEISA-N	306.359	0.304	70	10	DCIE	
CO[C@@H](C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)C1CCCC1	2287064523	CVBZFEOSYKIHDX-GHMZBOCLSA-N	308.375	0.596	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1	161121677	YFNUKRQYDRMIIM-JOYOIKCWSA-N	324.381	0.319	70	10	DCIE	
C[C@@H](CNC[C@H]1CCCN(S(C)(=O)=O)C1)N1CCCC1	161198204	CSMUVSXYWWDNHC-UONOGXRCSA-N	303.472	0.732	70	10	DCIE	
COc1ccnc(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)n1	1127002867	CCUYFDLWIDGQCE-UHFFFAOYSA-N	314.298	0.748	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C2[C@@H]3CCCC[C@@H]23)[nH]1	1923174487	UZQOOHNMZWITOH-HTQZYQBOSA-N	301.343	0.875	70	10	DCIE	
O=C(c1ccc2nsnc2c1)N1CC(S(=O)(=O)F)C1	1968215763	MCLFRZCDFSDMSP-UHFFFAOYSA-N	301.324	0.815	70	10	DCIE	
O=C(N[C@@H]1C[C@H]2COC[C@H]21)c1cc(S(=O)(=O)Cl)c[nH]1	2087577363	UZJDFCIPMUTDSR-NBEYISGCSA-N	304.755	0.707	70	10	DCIE	
Cc1[nH]nc(C(=O)OC[C@H](C)N(C)C)c1S(=O)(=O)Cl	2119215932	QRJDQOMTTCVNFC-LURJTMIESA-N	309.775	0.753	70	10	DCIE	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC(S(=O)(=O)F)C2)C1	2134976513	YQCRLZYXFFVBEI-RKDXNWHRSA-N	314.404	0.193	70	10	DCIE	
CC12COC(Cn3cc(S(=O)(=O)Cl)c(O)nc3=O)(C1)C2	2150311463	JYWVNJPIWYWLMB-UHFFFAOYSA-N	320.754	0.446	70	10	DCIE	
COc1nc(OCCN2CCOCC2)ncc1[B-](F)(F)F	2175873795	FWFSAIZRBWAAPI-UHFFFAOYSA-N	306.073	0.251	70	10	DCIE	
O=CNc1nc(CC(=O)N2CC[C@H](S(=O)(=O)F)C2)cs1	2181138083	XENVCXWDLPKIIV-QMMMGPOBSA-N	321.355	0.154	70	10	DCIE	
N#Cc1cccc(CS(=O)(=O)N2CC(S(=O)(=O)F)C2)c1	2199695449	URFSDMLFORVPOY-UHFFFAOYSA-N	318.351	0.372	70	10	DCIE	
O=C(COCc1ccccc1)NC1CN(S(=O)(=O)F)C1	2241573936	OWXYLECYVPMPHC-UHFFFAOYSA-N	302.327	0.218	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CC[C@H]1C(F)(F)F	2287077186	CSICFCRKYQDCPJ-BWZBUEFSSA-N	318.292	0.980	70	10	DCIE	
CN1CCN(CCOc2ncc(F)cc2[B-](F)(F)F)CC1	2296335347	YSUDIEIZEBMHAV-UHFFFAOYSA-N	306.092	0.901	70	10	DCIE	
NC(=O)COc1c(F)cc([N+](=O)[O-])cc1S(=O)(=O)Cl	215671015	ZVYCOBFDMQQYSL-UHFFFAOYSA-N	312.662	0.526	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1S(=O)(=O)Cl	133538073	UGGQRRFOMNZQCM-PRJMDXOYSA-N	319.770	0.695	70	10	DCIE	
COCCc1noc(Cn2cc(S(=O)(=O)Cl)nc2C)n1	2169670558	MICZHUGLMCCRGY-UHFFFAOYSA-N	320.758	0.739	70	10	DCIE	
O=S(=O)(N1CCOCC1)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	1879776073	MOXHFGLHLYPNKI-NXEZZACHSA-N	313.130	0.877	70	10	DCIE	
Cc1ncnc(N2CC[C@H](S(C)(=O)=O)C2)c1[B-](F)(F)F	2123305596	KGNIFZCOPKDLSM-QMMMGPOBSA-N	308.114	0.463	70	10	DCIE	
C=C(C)CN[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1731616710	HLBOAQMHYAXYIP-SECBINFHSA-N	303.359	0.957	70	10	DCIE	
O=S(=O)(Cl)CCOCCO[C@H]1C[C@@H](n2cnnc2)C1	2127415890	BQHKPFQGXMLUSE-AOOOYVTPSA-N	309.775	0.583	70	10	DCIE	
CCS(=O)(=O)NCCCN1CCOC[C@H]1c1nc(C)no1	161228887	BJXOFZSKLKQTCS-NSHDSACASA-N	318.399	0.081	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)CN1CCOCC1	160078663	NCEZVNPUPOWTEK-SNVBAGLBSA-N	324.381	0.321	70	10	DCIE	
O=C(Nc1ccc(-n2cccn2)nc1)N[C@H]1CCc2ncnn2C1	160940354	DSSPYWCBXDRQOQ-LBPRGKRZSA-N	324.348	0.995	70	10	DCIE	
CNS(=O)(=O)c1ccc(N(C)Cc2nccn2C)cc1N	159620155	QDFFYMWMRSHONM-UHFFFAOYSA-N	309.395	0.547	70	10	DCIE	
COc1nn(CC2CN(C)C2)c(OC)c1S(=O)(=O)Cl	2134824003	RMSWGRAPKKCLBL-UHFFFAOYSA-N	309.775	0.389	70	10	DCIE	
CO[C@H](C(=O)N1CCC(S(=O)(=O)F)CC1)[C@H]1CCCO1	1972663982	FYRNROINHKOVDY-MNOVXSKESA-N	309.359	0.471	70	10	DCIE	
CN([C@@H]1CCOC1)S(=O)(=O)c1ccc(CC(N)=S)cc1	159444906	WRWWPFSCMBTILJ-LLVKDONJSA-N	314.432	0.925	70	10	DCIE	
CCCS(=O)(=O)N[C@@H](C)C(=O)NCC1(CO)CCCC1	160329906	JLTQPJRGKHXBOY-NSHDSACASA-N	306.428	0.373	70	10	DCIE	
CN(C)CCn1ncc(Cl)c1[C@@H](N)[C@H]1CN(C)CCO1	161043431	LYQIZFJOJXQRLZ-NEPJUHHUSA-N	301.822	0.429	70	10	DCIE	
COc1cncc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)c1	2157240932	MOOOWCTUDYVPBR-SECBINFHSA-N	324.355	0.153	70	10	DCIE	
C#CCNC(=O)[C@H](C)n1cc(S(=O)(=O)Cl)nc1C1CC1	704289080	GXCRBEVQRXWMSQ-QMMMGPOBSA-N	315.782	0.998	70	10	DCIE	
CO[C@@H]1C[C@]2(C(=O)NC3CCN(S(=O)(=O)F)CC3)C[C@@H]12	2169025067	HLMRASHIWZEQHE-HOSYDEDBSA-N	306.359	0.206	70	10	DCIE	
O=C(N[C@@H]1C[C@H]2OCC[C@H]12)c1cc(S(=O)(=O)Cl)c[nH]1	2095467951	KVQPMBRBZTWCRY-NQMVMOMDSA-N	304.755	0.849	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cc(Cl)ccn1	2271486806	BDCRWXVZHHSCOK-MRVPVSSYSA-N	307.734	0.753	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)[C@H]2COC3(COC3)C2)n1	2286258259	DYZXWQKPYCSOAS-SECBINFHSA-N	302.085	0.834	70	10	DCIE	
CC(C)n1nccc1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287078682	QAMDOTGPTUMSEV-SECBINFHSA-N	304.347	0.482	70	10	DCIE	
O=S(=O)(Cl)CCCCN1C[C@@H]2[C@H](C1)CS2(=O)=O	2299727237	SFEXYDGXKGSXHM-RKDXNWHRSA-N	301.817	0.064	70	10	DCIE	
CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(S(=O)(=O)F)C2)C1	1955897572	HVIBHELYCYGCLL-LBPRGKRZSA-N	324.374	0.913	70	10	DCIE	
CC[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCF	1481851240	CGYVYHGIWOUEBC-QMMMGPOBSA-N	309.338	0.740	70	10	DCIE	
CCn1cc(S(=O)(=O)NC[C@H](C)N(C)C2CC2)c(N)n1	218244065	YVRCOKWAPKOUKJ-VIFPVBQESA-N	301.416	0.246	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)c1ccc(Cl)nn1	159512338	VANUZXRMXCNNRY-SNVBAGLBSA-N	312.757	0.497	70	10	DCIE	
COCC1CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	1917277244	UKTXMCHOSGEIOM-UHFFFAOYSA-N	323.367	0.612	70	10	DCIE	
O=S1(=O)CC[C@H](CCn2cnc(S(=O)(=O)Cl)c2)C1	694593338	YUGBOTGDGIGXRK-QMMMGPOBSA-N	312.800	0.635	70	10	DCIE	
C[C@H](Oc1c(F)cc([N+](=O)[O-])cc1S(=O)(=O)F)C(N)=O	2191425621	GPFRMCWTYZSZRD-BYPYZUCNSA-N	310.234	0.645	70	10	DCIE	
CNC(=O)CCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)F	2191431210	HJAUZRDFABVNEN-UHFFFAOYSA-N	306.271	0.768	70	10	DCIE	
COc1nc(N(C)C2COCCOC2)ncc1[B-](F)(F)F	2188042118	YLQHKNYZHLPQFL-UHFFFAOYSA-N	306.073	0.391	70	10	DCIE	
C[C@H]1CCC[C@H]1CS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2268804710	DPSBGXBLWYLKKC-IUCAKERBSA-N	314.404	0.241	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CCCS(=O)(=O)CC2)n1	2280515935	BGAWRGQYTNQLFD-UHFFFAOYSA-N	323.125	0.770	70	10	DCIE	
COc1ccc(C)cc1C(=O)NC1CN(S(=O)(=O)F)C1	2284153721	QBAWOIHQQHTZOG-UHFFFAOYSA-N	302.327	0.632	70	10	DCIE	
O=C(/C=C\c1ccc(Br)s1)NC[C@@H](O)CO	218214171	CGYOTYWBOYELGQ-DQZUBPPWSA-N	306.181	0.993	70	10	DCIE	
CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](CC(=O)NCCO)C1	160788557	NOSJTXZWGNSWHM-QWRGUYRKSA-N	302.371	0.103	70	10	DCIE	
C[C@H](O)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	1559247184	GFONAHBPRIOFLB-CPCISQLKSA-N	322.314	0.548	70	10	DCIE	
O=c1[nH]c(=O)n(CCc2cccnc2)cc1S(=O)(=O)Cl	215924924	HGGIPAOJXGHNQI-UHFFFAOYSA-N	315.738	0.102	70	10	DCIE	
CS(=O)(=O)N1CCN(C(=O)CC[C@@H]2CCC[C@H](N)C2)CC1	161022139	BMTDWBXIBKNFRY-STQMWFEESA-N	317.455	0.388	70	10	DCIE	
CN(C)c1cccc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)c1	161190486	BEOWRUACJPLKQZ-LBPRGKRZSA-N	311.407	0.468	70	10	DCIE	
CC(C)NC1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	161356075	IRJCOKFQAXTGML-CYBMUJFWSA-N	306.414	0.765	70	10	DCIE	
CC(C)(C)C(=O)Cn1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)nn1	160427344	YCVKTLPFGJMHSY-TXEJJXNPSA-N	319.409	0.860	70	10	DCIE	
CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc([S@](C)=O)cc1	159605763	SDVDOJHPKGIFRQ-MCMMXHMISA-N	323.418	0.844	70	10	DCIE	
CCc1ocnc1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394294	HACCZVOSGBWEGG-UHFFFAOYSA-N	305.331	0.646	70	10	DCIE	
COc1nn([C@@H]2CCN(C)C2=O)c(OC)c1S(=O)(=O)Cl	2149827735	SATVUKOQTXDBJL-ZCFIWIBFSA-N	323.758	0.231	70	10	DCIE	
CN1C(=O)C[C@H](Oc2ccc(S(=O)(=O)Cl)cc2F)C1=O	2152388724	GMYMGYSUDFRAHA-VIFPVBQESA-N	321.713	0.889	70	10	DCIE	
CCCn1c([C@@H]2CN3CCN2CC3)nnc1S(=O)(=O)Cl	2155750023	VVEHELVOEJOHNV-VIFPVBQESA-N	319.818	0.288	70	10	DCIE	
O=S(=O)(Cl)CCNS(=O)(=O)c1cncc(Cl)c1	2014388442	YTFKYVKGLVKZCG-UHFFFAOYSA-N	319.191	0.582	70	10	DCIE	
C[C@@]1([C@H]2CCCS(=O)(=O)C2)CC(=O)N1S(=O)(=O)Cl	2029450256	KARCOSWCTIIRMJ-CBAPKCEASA-N	315.800	0.286	70	10	DCIE	
COc1nc(N2[C@H]3CC[C@H]2CN(C)C3)ncc1[B-](F)(F)F	2172772406	NBAYJEPAZRMKKJ-IUCAKERBSA-N	301.101	0.822	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cnc(Cl)nc1	2271499033	AEKFCFDNFBCSHK-ZETCQYMHSA-N	308.722	0.148	70	10	DCIE	
CC1(C)CCC[C@H](C(=O)N2CCN(S(=O)(=O)F)CC2)O1	2235196827	LFNYRLMGQOCPEO-SNVBAGLBSA-N	308.375	0.693	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@]12CCCCN1CCC2	2284149992	HIKRTFCMAFLPNT-LBPRGKRZSA-N	305.375	0.020	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@@H]2CC[C@H](C1)O2	2287067244	BUKUPFARRQQQFO-XWLWVQCSSA-N	306.359	0.349	70	10	DCIE	
Cc1cc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cc(O)n1	2287068110	JTFAVIDGRFXHFO-SECBINFHSA-N	303.315	0.114	70	10	DCIE	
Cn1nccc1C(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1	159396809	ZZXCVHOKIYNAMH-YPMHNXCESA-N	305.334	0.978	70	10	DCIE	
CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NCCNC(N)=O	160865974	YDKHLYSCQRLFPS-GHMZBOCLSA-N	300.403	0.938	70	10	DCIE	
Cc1cc(C[C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O)n[nH]1	161436229	CRAMYFWEBAMKPO-QMMMGPOBSA-N	302.400	0.093	70	10	DCIE	
CNC(=O)COc1cc(C(C)=O)ccc1S(=O)(=O)Cl	261052926	OYAKRHAXDKOFQJ-UHFFFAOYSA-N	305.739	0.942	70	10	DCIE	
Cn1ccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)F)C2)c1	2088472152	NURQNYHVHODWCI-SECBINFHSA-N	310.372	0.478	70	10	DCIE	
C[C@H]1CCC[C@H]1S(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2118899141	WXOPXCUOOMXTOH-WCBMZHEXSA-N	314.404	0.241	70	10	DCIE	
O=[N+]([O-])c1nn(C[C@@H]2OCC[C@H]2F)cc1S(=O)(=O)Cl	2122531208	MCGHMSOUYQKGJO-RITPCOANSA-N	313.694	0.846	70	10	DCIE	
O=S(=O)(F)c1ccccc1NS(=O)(=O)c1nc[nH]n1	2122570277	QNMRFXUXFVYZKQ-UHFFFAOYSA-N	306.300	0.264	70	10	DCIE	
Cn1cnc(S(=O)(=O)Nc2ccc(S(=O)(=O)F)nc2)c1	2166543603	LQBHCVUWPSHZDK-UHFFFAOYSA-N	320.327	0.274	70	10	DCIE	
COc1nc(N2C[C@H]3C[C@@H](C2)N(C)C3)ncc1[B-](F)(F)F	2172757583	DBEOAFYPBGOSRB-IUCAKERBSA-N	301.101	0.680	70	10	DCIE	
O=C(c1cnn2c1CCCC2)N1CC[C@@H](S(=O)(=O)F)C1	2183296020	WVCFHOYJVTXKHW-SECBINFHSA-N	301.343	0.733	70	10	DCIE	
C[C@]1(COC(=O)c2cc(S(=O)(=O)Cl)c[nH]2)COCCO1	2237880654	CZAMZYNMQINNQQ-LLVKDONJSA-N	323.754	0.905	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cc(O)ccc1Cl	2268805082	WWFNYNAHRLMFPT-UHFFFAOYSA-N	308.718	0.674	70	10	DCIE	
CO[C@H]1[C@@H](CF)N(c2ncncc2[B-](F)(F)F)C[C@H]1OC	2366549810	JPIBUIMJIOQDJG-BBBLOLIVSA-N	308.064	0.719	70	10	DCIE	
Cc1ccn2ncc(C(=O)NC[C@H](O)CN3CCCCC3)c2n1	159916447	SNINPRVVMMCSCD-ZDUSSCGKSA-N	317.393	0.614	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1c1nc(Cl)nc(OC)n1	160271796	HEKYRZVQBLHFSK-MRVPVSSYSA-N	315.761	0.265	70	10	DCIE	
COc1ccc(C(F)(F)C(=O)N[C@H]2CCC(=O)NC2=O)cc1	160699477	BCIOTIKJVDPNTM-JTQLQIEISA-N	312.272	0.708	70	10	DCIE	
CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	160947780	GHBZCXYXZOSRJM-RVMXOQNASA-N	307.394	0.864	70	10	DCIE	
CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1	161314424	KVLSJEYOZMTHGP-NEPJUHHUSA-N	320.397	0.293	70	10	DCIE	
CCN(C)CCNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	163310203	GVBOAMAPQGMWQX-UHFFFAOYSA-N	324.399	0.575	70	10	DCIE	
COC(CNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1)OC	217287272	HCZWRJVUKCZTDR-CYBMUJFWSA-N	321.377	0.706	70	10	DCIE	
O=c1ccccn1C[C@H](O)CNS(=O)(=O)Cc1ccccc1	218465847	UCFWZJSRXMSOBB-CQSZACIVSA-N	322.386	0.329	70	10	DCIE	
CCOCCN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1713840028	NMLAMLUFKNRLGB-UHFFFAOYSA-N	319.358	0.123	70	10	DCIE	
COC1CN(S(=O)(=O)N2CCC[C@@H]([B-](F)(F)F)C2)C1	2070264094	MKRWQEXMJOHTBT-MRVPVSSYSA-N	301.119	0.875	70	10	DCIE	
O=C(c1cnc(Cl)nc1)N1CCN(S(=O)(=O)F)CC1	2107404257	HPIHUMIACCTJBD-UHFFFAOYSA-N	308.722	0.102	70	10	DCIE	
Cc1[nH]nc(C(=O)NC2[C@H]3COC[C@H]23)c1S(=O)(=O)Cl	2118014923	OFSRJWZYIBKCAF-WDSKDSINSA-N	305.743	0.020	70	10	DCIE	
COCc1cc(C(=O)N2CCC(S(=O)(=O)F)CC2)no1	2144733546	REGOZXRYXWQYAW-UHFFFAOYSA-N	306.315	0.725	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2CO[C@H](C)C2)c1S(=O)(=O)Cl	2158033726	SCBXKDIYQMSDDM-SVRRBLITSA-N	321.786	0.800	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@@H]3OCCN(C)[C@@H]3C2)n1	2172762993	OFFLKSDRWOQCGK-MNOVXSKESA-N	301.101	0.359	70	10	DCIE	
COc1cc(S(=O)(=O)CCS(=O)(=O)Cl)ccc1C#N	2225954302	LPIUNGCUYDXAIE-UHFFFAOYSA-N	323.779	0.909	70	10	DCIE	
COc1ccc(Cl)cc1C(=O)NC1CN(S(=O)(=O)F)C1	2284151351	QQBIRAPQQRIFNA-UHFFFAOYSA-N	322.745	0.977	70	10	DCIE	
O=S(=O)(F)c1ccc(NS(=O)(=O)c2cccnc2)cn1	2166542537	HCMJYZOCRSGVRI-UHFFFAOYSA-N	317.323	0.936	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1Cc1nc[nH]n1	694687865	DNXDVJMMVYVTQC-UHFFFAOYSA-N	306.691	0.194	70	10	DCIE	
O=S1(=O)C[C@@H]2CN(c3ncncc3[B-](F)(F)F)C[C@@H]2C1	2116150185	MZDFDRLHGUZNSQ-OCAPTIKFSA-N	306.098	0.012	70	10	DCIE	
C=CCNC[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1734216493	UAKSUFIEXKNPOE-MGCOHNPYSA-N	315.370	0.957	70	10	DCIE	
CC1(C)[C@@H]2OCC[C@@H]2[C@]1(N)C(=O)N(CCO)CC(F)(F)F	160280679	UQLOGJHJNGRVMS-RWEMILLDSA-N	310.316	0.512	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)C2CC3(CC3)C2)C1	2134975399	OVHTTXNKQNAVNA-UHFFFAOYSA-N	311.400	0.880	70	10	DCIE	
C[C@@H]1O[C@H](C)[C@@H](C(=O)N2CCN(S(=O)(=O)F)CC2)[C@H]1C	1974015331	SLMLCLTVKWNARV-MMWGEVLESA-N	308.375	0.404	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)CCC2CCNCC2)CCOC1	160541720	CQMNHJWMENNASB-ZDUSSCGKSA-N	306.428	0.101	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CCCN1CCOC1=O	690488556	FGLWNJLBXOTNOW-UHFFFAOYSA-N	307.759	0.961	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1C[C@H]1CCN(C)C1	691590034	HOKCVFIENNONFL-QMMMGPOBSA-N	322.774	0.979	70	10	DCIE	
Cc1csc(=O)n1CC(=O)N1CC(CCS(=O)(=O)F)C1	2199690973	VONXAIBXHXYDIN-UHFFFAOYSA-N	322.383	0.366	70	10	DCIE	
CO[C@@H](C(=O)N1CC(CCS(=O)(=O)F)C1)[C@H]1CCCO1	2199696188	GVKDWQIVRPSSBO-GHMZBOCLSA-N	309.359	0.328	70	10	DCIE	
O=C(N1CC(CCS(=O)(=O)F)C1)C12CCCN1CCC2	2199696134	GFGCFOWYEOARJG-UHFFFAOYSA-N	304.387	0.763	70	10	DCIE	
O=C(COC[C@@H]1CCCCO1)N1CCN(Cc2nnc[nH]2)CC1	217008988	MESMMZYKRUXDBM-ZDUSSCGKSA-N	323.397	0.035	70	10	DCIE	
O=S(=O)(N1CCOCC1)N1CCC([B-](F)(F)F)CC1	2223255715	GFQMPJDZPONJHR-UHFFFAOYSA-N	301.119	0.877	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1C[C@H]1C(F)(F)F	2334651797	ICNPTOWGJHEDQN-LYFYHCNISA-N	304.265	0.590	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2COC[C@@H]2C)c1S(=O)(=O)Cl	699809697	HVMPSMPPMVCUGW-FSPLSTOPSA-N	307.759	0.410	70	10	DCIE	
CCc1nc(S(=O)(=O)Cl)cn1C[C@]1(C)CCNC1=O	698368740	SHGFBKHBLJBAFL-NSHDSACASA-N	305.787	0.899	70	10	DCIE	
CC#CCN[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1265827619	TVODNADYVVCHGP-VIFPVBQESA-N	301.343	0.404	70	10	DCIE	
CCCN(CC#N)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1493317726	GVAVWUIMUGQFNJ-UHFFFAOYSA-N	316.358	0.638	70	10	DCIE	
C[C@]1(C(=O)N2CCN(S(=O)(=O)F)CC2)C[C@H]1C(F)(F)F	1974014557	KEIYKKZTTXTLGG-APPZFPTMSA-N	318.292	0.933	70	10	DCIE	
C[C@@]1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CCCCO1	1974395109	VPDKHJCFVYDGDR-LBPRGKRZSA-N	308.375	0.741	70	10	DCIE	
Cc1cc(C)c(C(=O)N2CC[C@H](S(=O)(=O)F)C2)c(O)n1	2144732558	HEEMGNFGXCQBLT-VIFPVBQESA-N	302.327	0.918	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1CC1(C)CS(=O)(=O)C1	2035819984	PSWIHWWQTRQEMY-UHFFFAOYSA-N	312.800	0.554	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N(C)C[C@@H]2CCS(=O)(=O)C2)n1	2172767661	WZMJJDZGRXRJHA-VIFPVBQESA-N	322.141	0.710	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	2164434120	CEDAHNSNDPRQBZ-AYMMMOKOSA-N	312.313	0.540	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C2(C)CCOCC2)[nH]1	2173994893	QERLLIVWVBQPFL-UHFFFAOYSA-N	305.331	0.255	70	10	DCIE	
CN(C)Cc1ccc(C(=O)N2CC(S(=O)(=O)F)C2)cc1	2199695423	UMVMFJILYDFENS-UHFFFAOYSA-N	300.355	0.872	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)c2ccc(Cl)o2)C1	2078996495	FNWUVGJMNLGHST-UHFFFAOYSA-N	317.747	0.853	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cnc(Cl)cn1	2108154141	NMTMPZOITXKNOU-UHFFFAOYSA-N	308.722	0.006	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1noc2c1CCC2	2287070612	FZCHBKYKSYEFTK-SSDOTTSWSA-N	303.315	0.182	70	10	DCIE	
CNS(=O)(=O)c1ccc(N[C@@H]2CCN(C3CC3)C2)cc1N	159607593	BNAXFLKYZBTWMF-LLVKDONJSA-N	310.423	0.826	70	10	DCIE	
CCCn1ncc(N(C)C[C@@H]2CNCCO2)c(Cl)c1=O	159854948	XPINIAODGKPDQT-JTQLQIEISA-N	300.790	0.731	70	10	DCIE	
Cn1cnc2cc(C(=O)N[C@@H]3CCC[C@@H](C(N)=O)C3)cnc21	160576365	ZTRYXNWHPWSLST-MWLCHTKSSA-N	301.350	0.742	70	10	DCIE	
CC(C)(C)OC(=O)N1CCC(CNCCNC(N)=O)CC1	160859091	XIVSUMIYQUCRMY-UHFFFAOYSA-N	300.403	0.891	70	10	DCIE	
CCO[C@@H]1CS(=O)(=O)C[C@H]1C1(S(=O)(=O)Cl)CC1	696656519	SAYSEFMCBKQSQT-HTQZYQBOSA-N	302.801	0.537	70	10	DCIE	
C[C@@H](C(=O)NC(N)=O)n1cc(S(=O)(=O)Cl)nc1C1CC1	704292420	GTKQHRBXJMRKJX-YFKPBYRVSA-N	320.758	0.444	70	10	DCIE	
Cc1nc(C)c(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[nH]1	1178446349	PDXMFZUJHZACFH-UHFFFAOYSA-N	300.315	0.943	70	10	DCIE	
CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1	1349067034	LZZILTBLKLHVCA-VXGBXAGGSA-N	315.370	0.982	70	10	DCIE	
CCCN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(C)=O	1529664033	FQIZFAZJTITXLL-UHFFFAOYSA-N	319.358	0.661	70	10	DCIE	
O=C(c1cn(C2CC2)nn1)N1CCC[C@@H](S(=O)(=O)F)C1	1968234546	CTGBNGFAMNVKLV-SECBINFHSA-N	302.331	0.517	70	10	DCIE	
O=C(c1csc(C2CC2)n1)N1CCN(S(=O)(=O)F)CC1	1974001166	OCBROWZYGUUHLC-UHFFFAOYSA-N	319.383	0.993	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1coc(C(F)F)n1	1974055619	UBCWKKUWDGGUDE-UHFFFAOYSA-N	313.257	0.488	70	10	DCIE	
CN(C1CCC1)S(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2028770011	BNBLBFFGFHHEAB-SECBINFHSA-N	300.377	0.089	70	10	DCIE	
O=C1NCC[C@H]1Cn1cc(S(=O)(=O)Cl)nc1C1CC1	2128746511	LYAGYQNMVFEGFW-QMMMGPOBSA-N	303.771	0.824	70	10	DCIE	
CC1(C)[C@@H]2CC(C(=O)NCC3CN(S(=O)(=O)F)C3)C[C@H]21	2164432201	VCGXAWFQWSOASR-GHMZBOCLSA-N	304.387	0.931	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCOC[C@@H]1[C@H]1CCOC1	2172772527	OYBBXLKIJKPLPM-GXSJLCMTSA-N	302.085	0.773	70	10	DCIE	
CC1(C)OCCC[C@@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	2187187992	WBQMWGOVCOCJKW-SNVBAGLBSA-N	308.375	0.454	70	10	DCIE	
CCCc1[nH]nc(C(=O)N[C@H]2C[C@H]2OC)c1S(=O)(=O)Cl	2188223526	MAGXXURQYMPKQT-JGVFFNPUSA-N	321.786	0.807	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	2287074669	IKIYSTCDKJKDDR-DCHHYWPUSA-N	302.371	0.683	70	10	DCIE	
O=S(=O)(N1CCC[C@H](O)C1)N1CC[C@@H]([B-](F)(F)F)C1	2319746183	WDFYYWDZMKFMJC-BDAKNGLRSA-N	301.119	0.611	70	10	DCIE	
C[C@@H](C(=O)N1CCOCC1)n1cnc(S(=O)(=O)Cl)c1	215707876	RGVJUKVQVXJEMV-QMMMGPOBSA-N	307.759	0.230	70	10	DCIE	
CC[C@H](CO)NC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	217287092	DUQPDBZVWHHRDW-KGLIPLIRSA-N	305.378	0.858	70	10	DCIE	
C=CCNCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1320552563	IWJVQAMTZUAGFE-SECBINFHSA-N	303.359	0.957	70	10	DCIE	
N#CCNCC1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1485102536	IMCKMEUQGAOAOX-UHFFFAOYSA-N	314.342	0.294	70	10	DCIE	
COC[C@H](CNC(=O)c1cc(S(=O)(=O)Cl)cn1C)OC	234753717	XSLOUWFPLXIKDM-QMMMGPOBSA-N	324.786	0.344	70	10	DCIE	
Cn1ncc(Cl)c1C(=O)N1CCN(S(=O)(=O)F)CC1	1974001741	ZYFSSXMGJGIVBY-UHFFFAOYSA-N	310.738	0.046	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1F	159454234	OSOCOMVMRLMKJU-SECBINFHSA-N	322.383	0.182	70	10	DCIE	
Cc1ccnc(N2CCN(C3COC3)CC2)c1[B-](F)(F)F	2172785377	KMVPMYGLKJSSLA-UHFFFAOYSA-N	300.113	0.965	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1ccc(Cl)nn1	2271500113	JOESUNGDPWABEN-LURJTMIESA-N	308.722	0.148	70	10	DCIE	
O=C(NC[C@H](O)Cn1ccccc1=O)c1c(F)cccc1F	218410456	DHKAUHKQSPADIS-JTQLQIEISA-N	308.284	0.917	70	10	DCIE	
CC(C)(C)OC(=O)NCCC(=O)N1CC(S(=O)(=O)F)C1	1883850874	LDFHZAAYGWVBHL-UHFFFAOYSA-N	310.347	0.411	70	10	DCIE	
C[C@]1(C(=O)Nc2ncc(S(=O)(=O)F)s2)CCNC(=O)C1	1530981181	DKGFVXIWPBALAR-JTQLQIEISA-N	321.355	0.656	70	10	DCIE	
COc1ccccc1N1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1	161084049	HYCJSNLKRYQPOF-OLZOCXBDSA-N	317.389	0.916	70	10	DCIE	
CCNc1nnc(C(=O)NC2CCS(=O)(=O)CC2)s1	160081470	LHHMGYQDJIZXKZ-UHFFFAOYSA-N	304.397	0.277	70	10	DCIE	
Cc1ccc(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)n1C	159557105	QNHJBQZVKZHPBM-UHFFFAOYSA-N	306.366	0.817	70	10	DCIE	
CO[C@@H]1CN(C(=O)c2cc(S(=O)(=O)Cl)c[nH]2)C[C@H]1OC	234763624	RFJMAMVVQSTXHK-NXEZZACHSA-N	322.770	0.428	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3COC[C@H]32)c1S(=O)(=O)Cl	2143880848	WMZVTHUJAHZNCR-XLPZGREQSA-N	319.770	0.410	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3COC[C@@H]32)c1S(=O)(=O)Cl	2143880845	WMZVTHUJAHZNCR-BIIVOSGPSA-N	319.770	0.410	70	10	DCIE	
O=S(=O)(F)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1	1954487339	YOOCDVWEFVCTFW-QWHCGFSZSA-N	300.355	0.786	70	10	DCIE	
O=C([C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21)N1CCN(S(=O)(=O)F)CC1	1974014322	HOIJHRHKPHIKHG-RMPHRYRLSA-N	302.371	0.637	70	10	DCIE	
CC1(C)[C@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C1(F)F	1974014371	IFDBLFPTSIBISA-ZETCQYMHSA-N	300.302	0.636	70	10	DCIE	
COC(=O)Cn1ncc(N[C@H]2CCCNC2)c(Cl)c1=O	159397407	MODUSJRBSLNWKX-QMMMGPOBSA-N	300.746	0.234	70	10	DCIE	
COCCn1ncc(N2C[C@@H](CN)C[C@@H]2C)c(Cl)c1=O	159983751	DKYGLZGPENDXNS-VHSXEESVSA-N	300.790	0.717	70	10	DCIE	
CCNc1ncc(S(=O)(=O)N(C)[C@H]2CCO[C@@H]2C)cn1	160994560	QIYGGAJBEAWMIU-KOLCDFICSA-N	300.384	0.706	70	10	DCIE	
O=C([C@H]1CCc2nccn2C1)N1CC[C@@H](S(=O)(=O)F)C1	2159907825	GKNHUZIAONAXMG-VHSXEESVSA-N	301.343	0.346	70	10	DCIE	
Cc1nn(C[C@@H]2CC(=O)N(C)C2)c(C)c1S(=O)(=O)Cl	687223717	ICPMUBTWHAEAKM-SECBINFHSA-N	305.787	0.906	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1CC2(CC2)CO1	2166415973	GZLLKDYBCUECFI-SSDOTTSWSA-N	320.754	0.446	70	10	DCIE	
Cc1nc(N2CCN3CCOC[C@@H]3C2)ccc1[B-](F)(F)F	2185879436	CCNJAGBUTPINEZ-NSHDSACASA-N	300.113	0.965	70	10	DCIE	
O=C([C@H]1CCCc2nccn21)N1CC[C@H](S(=O)(=O)F)C1	2186050302	IGSJMTPBFRAYGU-VHSXEESVSA-N	301.343	0.661	70	10	DCIE	
CCOc1ccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)cc1	2199699304	YBDOJVSLTCOCKY-UHFFFAOYSA-N	323.367	0.758	70	10	DCIE	
NC(=O)COCCOc1ccc(S(=O)(=O)F)c(F)c1F	2241014409	OEDMTGYSCOQQIK-UHFFFAOYSA-N	313.253	0.504	70	10	DCIE	
O=C(Nc1ccc(S(=O)(=O)F)nc1)[C@@H]1CCCS1(=O)=O	2166523391	DHKQWQZBOOXENW-QMMMGPOBSA-N	322.339	0.256	70	10	DCIE	
CS(=O)(=O)N[C@@H]1CCN(c2ncccc2[B-](F)(F)F)C1	2116145000	JJGNYDCTJWLOPB-MRVPVSSYSA-N	308.114	0.264	70	10	DCIE	
O=C(Cc1ccc(S(=O)(=O)F)cc1)NCc1cnccn1	1623502728	SZZRLXIXIIBXBF-UHFFFAOYSA-N	309.322	0.994	70	10	DCIE	
C[C@H](CCNCCCO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1497267222	GHTCFUXCNIWKEY-SECBINFHSA-N	321.374	0.153	70	10	DCIE	
COC(=O)c1ccccc1S(=O)(=O)NCC(OC)OC	217787455	ZNLQRRVKEYSBOR-UHFFFAOYSA-N	303.336	0.370	70	10	DCIE	
CC[C@@H](C)C(=O)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1757917158	ATQRNBZLGVERBW-MRVPVSSYSA-N	319.358	0.565	70	10	DCIE	
Cc1cc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)cnc1Cl	160068923	RDDDDHORQCLYQY-SECBINFHSA-N	317.798	0.943	70	10	DCIE	
Nc1ncccc1S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	160340960	UEEPAQNCLYBPMC-BXUZGUMPSA-N	311.407	0.980	70	10	DCIE	
CC(C)CS(=O)(=O)CCC(=O)N1C[C@@H]2CCC[C@H](C1)N2	159727712	VAZRFNBJKPWJMN-BETUJISGSA-N	302.440	0.800	70	10	DCIE	
CCOC(C)(C)CS(=O)(=O)NCCS(=O)(=O)Cl	1941344583	IXWUGJDDXUISKO-UHFFFAOYSA-N	307.821	0.290	70	10	DCIE	
Cn1nnc(COc2c(F)cc(F)cc2S(=O)(=O)Cl)n1	236103988	BSJJYLMRKMADFF-UHFFFAOYSA-N	324.696	0.995	70	10	DCIE	
CCOC(CCSc1nnnn1CC(=O)OC)OCC	159524088	FKDGPYRNWFCTQL-UHFFFAOYSA-N	304.372	0.727	70	10	DCIE	
O=C(N[C@@H]1CO[C@H]2COC[C@@H]12)c1cc(S(=O)(=O)Cl)c[nH]1	2158070864	XCERALRSBBEEBK-SFGNSQDASA-N	320.754	0.086	70	10	DCIE	
COCCn1c(-c2cc(C)n(C)n2)nnc1S(=O)(=O)Cl	302380700	OJKMFWPXZBFCGO-UHFFFAOYSA-N	319.774	0.561	70	10	DCIE	
C[C@]1(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)CCNC1=O	698365209	JLFBVNUNQAVHDL-SECBINFHSA-N	322.730	0.245	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC(=O)NCC(C)C	2182342716	IPAOVXNUAVLOHW-UHFFFAOYSA-N	323.802	0.729	70	10	DCIE	
O=C([C@@H]1OC[C@@H]2CCC[C@H]21)N1CC(CCS(=O)(=O)F)C1	2233192156	VBQCASAGRWNJPC-QJPTWQEYSA-N	305.371	0.949	70	10	DCIE	
CN(C)CCn1ncc(NCC(F)(F)CN)c(Cl)c1=O	160057350	XJMBLRCPONYDIB-UHFFFAOYSA-N	309.748	0.464	70	10	DCIE	
C[C@@](O)(CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1	161062770	SBWWVAZXFSLOBQ-CZUORRHYSA-N	315.377	0.800	70	10	DCIE	
CN[C@H](c1c(OC)cnn1CCN(C)C)[C@H]1CSCCO1	161331500	NEIQCUNRJMFFRU-OLZOCXBDSA-N	314.455	0.846	70	10	DCIE	
COC(=O)[C@@H]1CO[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C(=O)N12	218352768	GEXJVXPWQKGKOR-LPEHRKFASA-N	314.338	0.400	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@H]2CCCOCC2)c1S(=O)(=O)Cl	312858333	RJDFKWWTYHAGPX-QMMMGPOBSA-N	321.786	0.945	70	10	DCIE	
CC(C)(CNC(N)=O)NC(=O)c1ccc(S(=O)(=O)F)cc1	1539369686	NSFXDCMJSLDQDC-UHFFFAOYSA-N	317.342	0.522	70	10	DCIE	
Cn1cc(C=CC(=O)N2CCC[C@H](S(=O)(=O)F)C2)cn1	1968236221	UGHSMJOBBYKVNY-NSHDSACASA-N	301.343	0.724	70	10	DCIE	
CCCn1nccc1C(=O)N1CCN(S(=O)(=O)F)CC1	1974000739	GAHXZFUBSDWPFV-UHFFFAOYSA-N	304.347	0.265	70	10	DCIE	
O=S(=O)(Cl)CCOCCOCCO[C@H]1CCOC1	2027120565	VOITXAPISBLXDM-JTQLQIEISA-N	302.776	0.394	70	10	DCIE	
CC(C)S(=O)(=O)CCN(C)c1ncncc1[B-](F)(F)F	2116144395	FHNVKSMXFQQNHX-UHFFFAOYSA-N	310.130	0.790	70	10	DCIE	
COc1nc(N2CCCS(=O)(=O)CC2)ncc1[B-](F)(F)F	2172767375	SXFNTDUKADAEIL-UHFFFAOYSA-N	324.113	0.165	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@H]2[C@H]3OCC[C@H]23)c1S(=O)(=O)Cl	2176436782	VMJHEDPREVUZKL-BHNWBGBOSA-N	319.770	0.410	70	10	DCIE	
CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1S(=O)(=O)F	2191432569	PLOXDNFPIDRCMZ-UHFFFAOYSA-N	306.271	0.720	70	10	DCIE	
CC(=O)NCCCCCC(=O)N1CC(CS(=O)(=O)F)C1	2199698743	QWDOTOIBGKALFU-UHFFFAOYSA-N	308.375	0.441	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cc(C(F)(F)F)on1	2284151618	SLXYBGUUCHYUMZ-UHFFFAOYSA-N	317.220	0.322	70	10	DCIE	
Cc1ccc(F)c(C(=O)NC2CN(S(=O)(=O)F)C2)c1F	2284152748	CBTCVFVJCBSHEC-UHFFFAOYSA-N	308.281	0.902	70	10	DCIE	
CCNC(=O)[C@H](C)NS(=O)(=O)c1cc(N)cc(C)c1F	159470517	ZHMBMMJMIFTUHM-QMMMGPOBSA-N	303.359	0.519	70	10	DCIE	
CCCNC(=O)[C@H]1COCCN1C(=O)c1nnc(Cl)s1	159512635	XRHFOBOXHANQGK-SSDOTTSWSA-N	318.786	0.559	70	10	DCIE	
CCO[C@@H]1C[C@@H](N)[C@@H]1Nc1cnn(CCOC)c(=O)c1Cl	159697630	IYXQGSUVPKEMQR-UISBYWKRSA-N	316.789	0.460	70	10	DCIE	
Cc1ccnc2nc(C(=O)NC[C@H](O)CN3CCCCC3)nn12	160496962	KMQJGCFEABCXSC-LBPRGKRZSA-N	318.381	0.009	70	10	DCIE	
Cc1ccc(-n2nnnc2N2CCS(=O)(=O)[C@@H](C)C2)cc1	160767653	CNHCJDMAJDBUIH-NSHDSACASA-N	307.379	0.594	70	10	DCIE	
COc1ccc(NS(=O)(=O)N(C)CCCO)cc1OC	217517516	SMBJZDCCJZNOTJ-UHFFFAOYSA-N	304.368	0.675	70	10	DCIE	
CC(C)C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[C@@H]1CO	218027757	NDQLEUHCRNLAEJ-UTUOFQBUSA-N	306.428	0.228	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2CO[C@H](C)C2)c1S(=O)(=O)Cl	401468485	NISYQLLCIYBKID-RNFRBKRXSA-N	321.786	0.807	70	10	DCIE	
CC(C)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1cnn[nH]1	1142026253	JQOBNFTWJQZWIM-UHFFFAOYSA-N	301.303	0.456	70	10	DCIE	
COC(=O)CC(C)(C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1471902049	RVOLUAXKXPXGLF-UHFFFAOYSA-N	320.342	0.992	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CCCCS2)[nH]1	1923168606	XOUCQYWKPJOUPP-ZETCQYMHSA-N	307.372	0.724	70	10	DCIE	
C[C@@H]1CN(c2ncc([B-](F)(F)F)cc2F)CCS1(=O)=O	2116152169	FBECICVGEHDSBJ-SSDOTTSWSA-N	311.089	0.898	70	10	DCIE	
CC1CC(CS(=O)(=O)N2CC(CCS(=O)(=O)F)C2)C1	2134980223	AQQOHDSBHNIIBU-UHFFFAOYSA-N	313.416	0.984	70	10	DCIE	
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)cc1	2144734010	WHLHAXOITDDWLK-LLVKDONJSA-N	318.351	0.621	70	10	DCIE	
COc1nc(N(C)C[C@H]2CCN(C)C2)ncc1[B-](F)(F)F	2172765432	QXMCFRBGOKKTAJ-VIFPVBQESA-N	303.117	0.928	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1CCN2CCOC[C@@H]2C1	2185882953	TYMRZKXFNOJCDD-LBPRGKRZSA-N	300.113	0.965	70	10	DCIE	
COc1cc(C(=O)NC2CN(S(=O)(=O)F)C2)cc(C)n1	2284150205	HZNAGHOIPOAKKE-UHFFFAOYSA-N	303.315	0.027	70	10	DCIE	
COCc1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)s1	2367818671	QONXOQMNMHSDBR-MRVPVSSYSA-N	322.383	0.913	70	10	DCIE	
Cc1nc(NC(=O)c2c[nH]nn2)sc1S(=O)(=O)Cl	127417300	SXTQTDSZLFAZLP-UHFFFAOYSA-N	307.744	0.749	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](c2ncon2)C1	1645207757	JDQRLCPLBPFXSE-ZETCQYMHSA-N	314.298	0.686	70	10	DCIE	
Cc1nc(S(=O)(=O)CCS(=O)(=O)Cl)ccc1F	2216967206	SNWDVNOHQSMRJE-UHFFFAOYSA-N	301.748	0.871	70	10	DCIE	
CCc1cc(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)cn1	160535403	FKFIQFQJIYHDIR-UHFFFAOYSA-N	315.329	0.851	70	10	DCIE	
COCCC[C@@H](N)C(=O)Nc1cccc(NS(C)(=O)=O)c1	159419995	VWLOODWWKIYNME-GFCCVEGCSA-N	315.395	0.751	70	10	DCIE	
CSCCS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	2005796410	XDVIMXSGNXJHPT-QMMMGPOBSA-N	305.418	0.443	70	10	DCIE	
COc1nn(Cc2noc(C)n2)c(OC)c1S(=O)(=O)Cl	2149827285	NTFKLMJXYYJHGN-UHFFFAOYSA-N	322.730	0.568	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2C[C@@H]3OCCO[C@H]3C2)n1	2172759099	ZHTOZRGYQZNCNX-UWVGGRQHSA-N	302.085	0.752	70	10	DCIE	
CN1CC(CNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	379456053	SJYGTNISHZYATH-UHFFFAOYSA-N	322.383	0.185	70	10	DCIE	
O=S(=O)(F)N1CCN(S(=O)(=O)c2cccs2)CC1	2045265972	VYMFLGVMOGNEJL-UHFFFAOYSA-N	314.385	0.269	70	10	DCIE	
Cc1cc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)ccc1O	2287076740	TYDKHVMXVLWGFZ-SNVBAGLBSA-N	302.327	0.719	70	10	DCIE	
C[S@](=O)CCCNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	135264169	UAXZDBYVUBBZGE-QGZVFWFLSA-N	312.800	0.441	70	10	DCIE	
CCNC(=O)[C@H]1CCCN1S(=O)(=O)NCc1ccccc1	216626490	BWPDCUXNHGXPCI-CYBMUJFWSA-N	311.407	0.622	70	10	DCIE	
CS(=O)(=O)CC[C@H](N)C(=O)N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	217877307	WGRWPMZRYKFFIV-GHEKHTLGSA-N	314.451	0.689	70	10	DCIE	
N#CC1CN(S(=O)(=O)Nc2ccccc2S(=O)(=O)F)C1	2164601754	RZPFTLLWDLABNO-UHFFFAOYSA-N	319.339	0.457	70	10	DCIE	
CO[C@@]1(C(=O)Nc2ccc(S(=O)(=O)F)nc2)CCOC1	2166523331	DBOBQZNVTTWEIH-NSHDSACASA-N	304.299	0.484	70	10	DCIE	
CCC(F)(F)Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	704720532	UZPMYJGRFLEBDB-UHFFFAOYSA-N	302.686	0.922	70	10	DCIE	
Cc1ccc([B-](F)(F)F)c(N2CCS(=O)(=O)CCO2)n1	2116137072	SQBYPMKKVHITPJ-UHFFFAOYSA-N	309.098	0.611	70	10	DCIE	
CC(=O)c1cc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)n(C)c1	160444739	ZPYHKFHKIXPWOX-CQSZACIVSA-N	305.378	0.821	70	10	DCIE	
CSCCCC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O	160680922	FDEBEUDELIYQIL-QWRGUYRKSA-N	308.469	0.964	70	10	DCIE	
CC[C@H](C)[C@H](O)CNC(=O)c1cccc(S(N)(=O)=O)c1C	159395347	BDVZOOQKRYHBDB-JOYOIKCWSA-N	314.407	0.779	70	10	DCIE	
COc1ccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)cc1	2134976381	YAZHJQOUBHMCHA-UHFFFAOYSA-N	309.340	0.367	70	10	DCIE	
CC[C@@H](C#N)S(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	1923191547	HNQPEHRYLDFYIX-LURJTMIESA-N	310.332	0.122	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C(F)(F)C(F)(F)F	2271493606	SGGAIVINKUYMKG-SCSAIBSYSA-N	314.207	0.589	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N(C)Cc2nnn(C)n2)n1	2197854199	PGYNLOYEVQHALQ-UHFFFAOYSA-N	300.077	0.308	70	10	DCIE	
CON(CCCS(=O)(=O)Cl)C1CCS(=O)(=O)CC1	2052970173	RSQNXLTYQJYGFE-UHFFFAOYSA-N	319.832	0.386	70	10	DCIE	
C[C@@H](Oc1ccccc1)C(=O)NC1CN(S(=O)(=O)F)C1	2284150830	MMQOHUVDTCKRCX-SECBINFHSA-N	302.327	0.469	70	10	DCIE	
Cc1[nH]nc(C(=O)OC[C@H]2CCN2C)c1S(=O)(=O)Cl	2335387840	HOVNHJRCUHQJHN-SSDOTTSWSA-N	307.759	0.507	70	10	DCIE	
COCCn1c([C@H]2CCCOC2)nnc1S(=O)(=O)Cl	133333149	HLCCRCJGPUKGKF-QMMMGPOBSA-N	309.775	0.746	70	10	DCIE	
COc1ccc(CN2C[C@H](C(=O)NC3(CO)CC3)CC2=O)cc1	160263175	RXWLZKAMMGWXDO-CYBMUJFWSA-N	318.373	0.685	70	10	DCIE	
CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H](N(C)C)C2)c1CC	160450458	ZVNOOVMGMMJYNT-LLVKDONJSA-N	321.425	0.740	70	10	DCIE	
CCc1ccc(N)cc1S(=O)(=O)NCCNC(=O)C1CC1	160643855	APMVPUJHZHKLLZ-UHFFFAOYSA-N	311.407	0.636	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2ccc(CCN)s2)CCOC1	160679954	HYAHKKHBNYTTOQ-GFCCVEGCSA-N	320.436	0.333	70	10	DCIE	
COc1ccccc1N1CC[C@H](NC(=O)CN(C)C(C)=O)C1	161090182	ZOUUGGCSBSSIQM-ZDUSSCGKSA-N	305.378	0.868	70	10	DCIE	
Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)CC1CC1	161496148	GQEMYCOWTWVFJG-UHFFFAOYSA-N	311.407	0.923	70	10	DCIE	
O=C(NC/C=C\CNCCF)c1cc(S(=O)(=O)F)c[nH]1	1716344263	SJONFGWQSYNLRI-UPHRSURJSA-N	307.322	0.518	70	10	DCIE	
C#CCNC(=O)Cn1cc(S(=O)(=O)Cl)nc1C1CCC1	1922816905	ANJVAEVJFIZFIU-UHFFFAOYSA-N	315.782	0.828	70	10	DCIE	
CC(C)(C)OC(=O)NCCN1CCN(S(=O)(=O)F)CC1	1954655315	GNDQZFPQULKHCV-UHFFFAOYSA-N	311.379	0.343	70	10	DCIE	
CCCc1nc(C(=O)NCC2CN(S(=O)(=O)F)C2)cs1	1974055389	QKLSZPUVEKBRTG-UHFFFAOYSA-N	321.399	0.972	70	10	DCIE	
COc1ccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)s1	2078988500	JGCOHRPTCUHWDW-UHFFFAOYSA-N	315.369	0.429	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N(C)[C@H]2CCS(=O)(=O)C2)n1	2172767668	XEOXKBSGXWHSNW-VIFPVBQESA-N	322.141	0.771	70	10	DCIE	
CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccncc1[B-](F)(F)F	2172782625	UTIUNCXSRZIPIY-QWRGUYRKSA-N	323.125	0.384	70	10	DCIE	
C[C@@H](Oc1ccc(S(=O)(=O)F)cc1Cl)C(=O)NC(N)=O	2191420955	CTGOSNNPEZTKLU-RXMQYKEDSA-N	324.717	0.960	70	10	DCIE	
C[C@H]1CN(c2cnn(CCN(C)C)c(=O)c2Cl)C[C@@H](C)N1	159451125	MNEZYEQNKJOVNS-PHIMTYICSA-N	313.833	0.645	70	10	DCIE	
Cc1cc(Cn2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)n(C)n1	160849085	GMZOTENOUJDSMK-UHFFFAOYSA-N	319.730	0.809	70	10	DCIE	
COC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)C1	218055238	QIHNBSBRNGPACY-GRYCIOLGSA-N	320.411	0.225	70	10	DCIE	
NC(=O)[C@@H]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)O1	1269605005	JBUOAWSQZTZWHM-VHSXEESVSA-N	316.310	0.316	70	10	DCIE	
C=CCN[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1317026485	AEAMKMCOPJZDOG-LBPRGKRZSA-N	315.370	0.957	70	10	DCIE	
Cc1scnc1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923166652	BYOOABDREZOYSH-UHFFFAOYSA-N	304.328	0.517	70	10	DCIE	
COc1ccc(OC)c(C(=O)N2CC(S(=O)(=O)F)C2)c1	1968217403	KVILNYYIBPMRGI-UHFFFAOYSA-N	303.311	0.828	70	10	DCIE	
COc1c(F)cc(C(=O)NC2COC2)cc1S(=O)(=O)Cl	2165344324	OYZXZQNCDXOCCM-UHFFFAOYSA-N	323.729	0.890	70	10	DCIE	
C[C@@H]1CC[C@H](CC(=O)NC2CCN(S(=O)(=O)F)CC2)O1	2169021228	MBYBKGHTPMXSSK-MWLCHTKSSA-N	308.375	0.739	70	10	DCIE	
O=S(=O)(F)C1CN(S(=O)(=O)c2c[nH]c3ncccc23)C1	2199693858	QFUSZHZXQZQTTI-UHFFFAOYSA-N	319.339	0.235	70	10	DCIE	
C[C@H]1CCC[C@@H](C(=O)NC2CCN(S(=O)(=O)F)CC2)O1	2235192152	AUMJREBQKXHDMB-ONGXEEELSA-N	308.375	0.739	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1[C@@H]2CCCC(F)(F)[C@H]21	2284142871	RMWANMRMQIVMRJ-DJLDLDEBSA-N	312.313	0.683	70	10	DCIE	
CO[C@@H]1[C@H](OC)CN(CCCS(=O)(=O)Cl)[C@H]1CF	2318369052	MZOOGFIBOGHAPU-AEJSXWLSSA-N	303.783	0.629	70	10	DCIE	
COCCn1c(-c2cnn(C)c2)nnc1S(=O)(=O)Cl	133325554	AMRFYCJGYFAIBZ-UHFFFAOYSA-N	305.747	0.253	70	10	DCIE	
CN([C@@H]1CCOC1)S(=O)(=O)c1ccc(C(N)=S)cc1	159444306	QZKWPRXLGWIROH-SNVBAGLBSA-N	300.405	0.730	70	10	DCIE	
CCCC[C@H](CN)Nc1cnn(CC(=O)OC)c(=O)c1Cl	159830817	SBLPKJRXIBXYAR-SECBINFHSA-N	316.789	0.999	70	10	DCIE	
C[C@@H]1CN(S(=O)(=O)NCC2(CO)CCCC2)C[C@@H](C)O1	160347873	GULOBQSPNVBPGW-VXGBXAGGSA-N	306.428	0.483	70	10	DCIE	
O=C(NC1(CO)CC1)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O	160408395	NAPWUDSEQRSBTF-SNVBAGLBSA-N	310.300	0.959	70	10	DCIE	
NCc1c(N2CC[C@H]3NC(=O)CC[C@@H]3C2)nc2sccn12	160479750	NOACRPNWXOCMKL-NXEZZACHSA-N	305.407	0.959	70	10	DCIE	
CNC(=O)Cn1cc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)cn1	160617643	UYXXQMITOPXDPH-GFCCVEGCSA-N	320.397	0.235	70	10	DCIE	
CCn1[nH]nnc1=NC(=O)c1ccc(S(=O)(=O)F)cc1C	1128874646	HQONJYDFUFFNCZ-UHFFFAOYSA-N	313.314	0.334	70	10	DCIE	
C#CCCN[C@@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1570633445	HMCWDNUYBSTWQW-UWVGGRQHSA-N	315.370	0.793	70	10	DCIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)N2CCCCC2)C1	2028126248	DSKRUHWIAPNOEO-VIFPVBQESA-N	300.377	0.091	70	10	DCIE	
COc1nn(Cc2cnn(C)c2)c(OC)c1S(=O)(=O)Cl	2149826797	JDIVBCUJRGJQAY-UHFFFAOYSA-N	320.758	0.610	70	10	DCIE	
O=S(=O)(Cl)c1nnc([C@H]2CN3CCN2CC3)n1C1CC1	2155750744	YZGCMOOTLATYBU-SECBINFHSA-N	317.802	0.213	70	10	DCIE	
F[B-](F)(F)c1cncnc1N1CCCN(C2COC2)CC1	2172784067	NALCNXJEFBPUSC-UHFFFAOYSA-N	301.101	0.442	70	10	DCIE	
COc1nc(N2CC(C)(C[S@@](C)=O)C2)ncc1[B-](F)(F)F	2186352796	XQYWZJRAYLPTOY-OAQYLSRUSA-N	322.141	0.744	70	10	DCIE	
Cn1nnc2c1CCN(c1ncc(F)cc1[B-](F)(F)F)C2	2188598088	JGAJBCHPCLPDMQ-UHFFFAOYSA-N	300.048	0.966	70	10	DCIE	
Cc1cccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c1O	2287075467	NAPILYWUVYZBSA-VIFPVBQESA-N	302.327	0.719	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)CC[C@H]2CCO2)c1S(=O)(=O)Cl	2296044077	DWURHKKUBWZTEB-QMMMGPOBSA-N	321.786	0.897	70	10	DCIE	
Cn1c([C@@H]2COC3(CCC3)CO2)nnc1S(=O)(=O)Cl	2338789134	BMGWYCJTJZZEDC-ZETCQYMHSA-N	307.759	0.753	70	10	DCIE	
C[S@@](=O)CCNC(=O)c1csc(S(=O)(=O)Cl)c1	135261821	MZDRATGBVBBGBU-INIZCTEOSA-N	315.825	0.784	70	10	DCIE	
COC[C@@H](Cn1cc(S(=O)(=O)Cl)c(O)nc1=O)C(C)C	721795740	ZAFQYGAIKWKZDX-MRVPVSSYSA-N	324.786	0.795	70	10	DCIE	
Cc1nc(N2CCS(=O)(=O)CCO2)ncc1[B-](F)(F)F	2116130334	LLRAGTXZCVORND-UHFFFAOYSA-N	310.086	0.006	70	10	DCIE	
C[C@@H](CCCNCCO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1571308315	MLVQDXZSPDLWQN-VIFPVBQESA-N	321.374	0.153	70	10	DCIE	
CN(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)Cl	1772795276	XBIMYXLJCRSQMR-UHFFFAOYSA-N	302.739	0.698	70	10	DCIE	
COCCC1(CNC(=O)NC[C@H](O)CN2CCCCC2)CC1	161146253	JBFMYNFFGROZQV-AWEZNQCLSA-N	313.442	0.949	70	10	DCIE	
CC(C)CC(=O)NCCC(=O)N1CCC(OCCCO)CC1	160296609	WMJGPQPXBMPJDW-UHFFFAOYSA-N	314.426	0.929	70	10	DCIE	
CC[C@@H](C)[C@@H](N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1	160719780	LMEUBJDZQGDCEW-BXUZGUMPSA-N	323.397	0.054	70	10	DCIE	
C[C@@H]1O[C@H](C)C[C@@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923156450	LBNWLAOVEKXHHE-CSMHCCOUSA-N	305.331	0.252	70	10	DCIE	
O=C([C@@H]1CN2CCC1CC2)N1CCC(S(=O)(=O)F)CC1	2150808908	URMBCZCDFZXRKL-GFCCVEGCSA-N	304.387	0.619	70	10	DCIE	
Cc1nc(C)c([B-](F)(F)F)c(N2CCS(=O)(=O)[C@H](C)C2)n1	2172771093	UWZIACDBRSLQMC-SSDOTTSWSA-N	322.141	0.771	70	10	DCIE	
CCN(CC1CN(C)C1)c1ncc([B-](F)(F)F)c(OC)n1	2172765162	NIDPIRRNOVELLX-UHFFFAOYSA-N	303.117	0.928	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C[C@@]23CC3(F)F)[nH]1	2172026684	QCZQUAGWGKBVSF-MLUIRONXSA-N	309.269	0.484	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	2287078552	IEZDKVQBPOEVCW-LURQLKTLSA-N	312.313	0.683	70	10	DCIE	
C[C@]1(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C[C@@H]1C(F)(F)F	2287073846	YULVODJCSFOIFS-FJXKBIBVSA-N	318.292	0.980	70	10	DCIE	
O=C(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Cl	103644992	RVVHYDNSXPPSOM-UHFFFAOYSA-N	301.707	0.420	70	10	DCIE	
CCS(=O)(=O)CCn1ncc(S(=O)(=O)Cl)c1C	112154490	YFVVJWSVAASLTL-UHFFFAOYSA-N	300.789	0.554	70	10	DCIE	
Cc1cccc(Cn2cc(S(=O)(=O)Cl)c(=O)[nH]c2=O)c1	112727624	XYDKMKPMBBIFER-UHFFFAOYSA-N	314.750	0.821	70	10	DCIE	
CCc1ccccc1CNC(=O)C1CC2(C1)NC(=O)NC2=O	159489439	XVGYEUWOMMWYFN-UHFFFAOYSA-N	301.346	0.853	70	10	DCIE	
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cnc2c(c1)ncn2C	159704406	WSDLXZVWHQWIBI-ZJUUUORDSA-N	301.350	0.694	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1c1ccc(C(N)=S)c(Cl)c1	159799209	KYUYYEIGYGAXGS-NSHDSACASA-N	313.810	0.925	70	10	DCIE	
CCCC[C@@H](NC(N)=O)C(=O)NC[C@H]1CN(C2CC2)CCO1	160376867	FAHXYIZROLYLNR-QWHCGFSZSA-N	312.414	0.193	70	10	DCIE	
O=S1(=O)CCN[C@H](Cc2nc([C@H]3CCCS3)no2)C1	160599715	KLUDLLIWHQXIKO-RKDXNWHRSA-N	303.409	0.567	70	10	DCIE	
CC(C)(C)c1nc(CCNC(=O)CN2CC(=O)NC2=O)cs1	160694330	XDUFBXXVDNEQOD-UHFFFAOYSA-N	324.406	0.651	70	10	DCIE	
CSCC[C@H](C)N(C)C(=O)C[C@@H]1CS(=O)(=O)CCN1	161249452	MAXKYGOXGKXNKV-WDEREUQCSA-N	308.469	0.363	70	10	DCIE	
CCCn1c(-c2c[nH]ccc2=O)nnc1S(=O)(=O)Cl	233405530	XIYOIQLSGHYGEX-UHFFFAOYSA-N	302.743	0.971	70	10	DCIE	
COC1CC(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)C1	704291465	FPJPSIRCILYCKS-UHFFFAOYSA-N	308.743	0.301	70	10	DCIE	
CCCCN[C@@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1734377237	QWHMNDWDZYHZSE-SECBINFHSA-N	321.374	0.153	70	10	DCIE	
CC(C)c1[nH]nc(C(=O)N(C)C2COC2)c1S(=O)(=O)Cl	1915685991	YFDQRGLEYXBFFL-UHFFFAOYSA-N	321.786	0.931	70	10	DCIE	
C[C@@H]1COCC[C@@H]1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974394202	FKRGRUIUTZQTLK-KOLCDFICSA-N	308.375	0.454	70	10	DCIE	
CCN(c1nc(C)ncc1[B-](F)(F)F)[C@@H]1CCS(=O)(=O)C1	2172768319	HHVAIIGWONOYFD-SECBINFHSA-N	322.141	0.853	70	10	DCIE	
Cc1ncnc(N2CC[C@@H]3OCCO[C@H]3C2)c1[B-](F)(F)F	2172769126	SOSLTOONKOMGIK-UWVGGRQHSA-N	302.085	0.834	70	10	DCIE	
O=C(COc1ccccc1O)N1CC(CS(=O)(=O)F)C1	2199693013	MMZIMDOXYKCDOD-UHFFFAOYSA-N	303.311	0.529	70	10	DCIE	
Cc1nc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)c(C)s1	2271485579	PAPSGSNSZRZFEF-QMMMGPOBSA-N	307.372	0.778	70	10	DCIE	
O=S(=O)(CCN1CC[C@@H]([B-](F)(F)F)C1)N1CCOCC1	2342463530	NZTXOLINTAVKNH-SNVBAGLBSA-N	315.146	0.572	70	10	DCIE	
COC[C@]12CCO[C@H]1CN(c1ncc([B-](F)(F)F)cn1)C2	2361529679	HWXSYLIHESFZEB-CMPLNLGQSA-N	302.085	0.773	70	10	DCIE	
O=c1[nH]c(=O)n(Cc2ccccc2)cc1S(=O)(=O)Cl	112463245	AZZMHEPOLUDADP-UHFFFAOYSA-N	300.723	0.512	70	10	DCIE	
COc1ccc(NC(=O)N2CCN(CCN)CC2)cc1OC	217267363	NQYJCNSJCYKUQZ-UHFFFAOYSA-N	308.382	0.812	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)c2cncc(F)c2)C1	2134975120	AHGQIKCGAJSWOA-UHFFFAOYSA-N	312.319	0.141	70	10	DCIE	
C[C@H]1CN(C)[C@@H](C)C[C@@H]1NC1CCN(S(C)(=O)=O)CC1	217954335	PFAAHAUVSHOCGK-OBJOEFQTSA-N	303.472	0.729	70	10	DCIE	
CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)F)[C@@]2(CCOC2)C1	1955898187	SWSIBXISLKYPHP-SKDRFNHKSA-N	324.374	0.959	70	10	DCIE	
CO[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@](C)(CO)C1	1123819107	HXXHWBVAVVWYRB-QPUJVOFHSA-N	320.342	0.285	70	10	DCIE	
C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N(C)CCCO	1282462574	XAHMKMKPHIENLM-SECBINFHSA-N	321.374	0.105	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@@H]2CO[C@@H](C)C2)c1S(=O)(=O)Cl	2115707695	RVCOTFAZCKYLHX-FSPLSTOPSA-N	308.743	0.980	70	10	DCIE	
Cc1c(S(=O)(=O)NC[C@@H](C)N(C)C2CC2)c(N)nn1C	218220228	VPVQKOCRQDOBQR-MRVPVSSYSA-N	301.416	0.072	70	10	DCIE	
CCCNC/C=C/CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1669045429	INJDBXWLJRLLJQ-ONEGZZNKSA-N	303.359	0.959	70	10	DCIE	
O=S(=O)(Cl)CCOCCO[C@H]1C[C@H](n2cnnc2)C1	2127415891	BQHKPFQGXMLUSE-MGCOHNPYSA-N	309.775	0.583	70	10	DCIE	
CC(C)OCCNC(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O	161480381	QSOWDTNJVZBMHK-UHFFFAOYSA-N	318.399	0.335	70	10	DCIE	
O=C(NCCO[C@@H]1CCOC1)c1cc(S(=O)(=O)Cl)c[nH]1	2143823083	QCJAETASAZHFAN-MRVPVSSYSA-N	322.770	0.478	70	10	DCIE	
CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)Cl	1953264477	OLMZFIBBFYDXOK-UHFFFAOYSA-N	300.764	0.954	70	10	DCIE	
C[C@H]1CN(S(=O)(=O)Cl)CC[C@@H]1NC(=O)C(F)(F)F	1953572338	BYQSICDADGPABC-WDSKDSINSA-N	308.709	0.859	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1CCCOCC1	1974394913	RNWJKDPLNGNPFD-JTQLQIEISA-N	308.375	0.598	70	10	DCIE	
CN1CCOC[C@H]1C(=O)Nc1ccccc1S(=O)(=O)F	2155748623	LFBGUMRIBCUCKW-JTQLQIEISA-N	302.327	0.614	70	10	DCIE	
O=C1CC(CS(=O)(=O)Nc2ccc(S(=O)(=O)F)nc2)C1	2173316839	GSBFRUBRZHUUFO-UHFFFAOYSA-N	322.339	0.461	70	10	DCIE	
Cc1[nH]nc(C(=O)N(C)[C@@H]2COC[C@@H]2C)c1S(=O)(=O)Cl	688263045	PSMKBIYWJOAUCC-POYBYMJQSA-N	321.786	0.753	70	10	DCIE	
CC(=O)N[C@H](C(=O)N1CC(CCS(=O)(=O)F)C1)C(C)C	2199687992	CNKMFTOCYOJYPW-NSHDSACASA-N	308.375	0.295	70	10	DCIE	
Cc1cc([B-](F)(F)F)cnc1N1CCN2CCOC[C@H]2C1	2185882952	TYMRZKXFNOJCDD-GFCCVEGCSA-N	300.113	0.965	70	10	DCIE	
O=C([C@@H]1OC[C@@H]2CCCC[C@H]21)N1CC(CS(=O)(=O)F)C1	2233186278	NNIGORPJFOOWLW-QJPTWQEYSA-N	305.371	0.949	70	10	DCIE	
CC1(C)CCC[C@@H](C(=O)N2CCN(S(=O)(=O)F)CC2)O1	2235196826	LFNYRLMGQOCPEO-JTQLQIEISA-N	308.375	0.693	70	10	DCIE	
CCOc1ccc(OCNC(=O)N2CCN(CCN)CC2)cc1	217307443	ZTKSYCNTFGBQFM-UHFFFAOYSA-N	322.409	0.708	70	10	DCIE	
Cn1cc(/C=C/C(=O)NCC2(C3CC3)CC2)c(=O)n(C)c1=O	160212888	JRYKFDMZFVESIU-ZZXKWVIFSA-N	303.362	0.404	70	10	DCIE	
CONC(=O)CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	1164270585	JJHGLUIBCZEHLP-UHFFFAOYSA-N	321.286	0.484	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1cc(NC)nc(SC)n1	160534513	SUDUJBVIXGLSPF-SECBINFHSA-N	311.411	0.582	70	10	DCIE	
Cc1cc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)ncn1	159609728	YEEMJRGEXYLWIX-LBPRGKRZSA-N	316.336	0.998	70	10	DCIE	
C[C@H](CC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1ccncc1	160483023	LTOITSZHTPJBTB-YPMHNXCESA-N	311.407	0.725	70	10	DCIE	
CS(=O)(=O)CC1CN(c2ncc(F)cc2[B-](F)(F)F)C1	2132073380	JWWWOFLNRZRJDL-UHFFFAOYSA-N	311.089	0.756	70	10	DCIE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC(=O)N1S(=O)(=O)Cl	1953616034	UXBLCGZIOZXRFG-BQBZGAKWSA-N	312.775	0.984	70	10	DCIE	
O=C(c1ccc(Cl)cn1)N1CCN(S(=O)(=O)F)CC1	1974000541	BMAWTZVHHGTOBN-UHFFFAOYSA-N	307.734	0.707	70	10	DCIE	
CCN(c1cnn(CCOC)c(=O)c1Cl)[C@@H]1CCNC1	159383745	SUTKFWHPOQRZSY-SNVBAGLBSA-N	300.790	0.731	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CSCN2)c1	160303943	CQLRBPMGGYDTPI-SECBINFHSA-N	302.377	0.397	70	10	DCIE	
C[C@@H](CCCN(C)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cl	2037937130	VXNAPOUNVDPSPY-VHSXEESVSA-N	317.860	0.843	70	10	DCIE	
CN(C)S(=O)(=O)c1nccn1-c1ccc([B-](F)(F)F)cn1	2179121193	UVLCBIRIEDXXTK-UHFFFAOYSA-N	319.097	0.572	70	10	DCIE	
CCc1ccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)s1	2078995882	ACYGOEAORGTFPO-UHFFFAOYSA-N	313.397	0.983	70	10	DCIE	
Cc1nn(C[C@H]2CCNC(=O)C2)c(C)c1S(=O)(=O)Cl	2109226375	YQIOYZWMIOFVCA-VIFPVBQESA-N	305.787	0.954	70	10	DCIE	
O=S(=O)(F)c1ccc(NS(=O)(=O)N2CCCC2)cn1	2110220770	FVSPLMDSCXTLIA-UHFFFAOYSA-N	309.344	0.492	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccccc1[N+](=O)[O-]	2284152834	DFMUWQMYQOLCMU-UHFFFAOYSA-N	303.271	0.223	70	10	DCIE	
COCCn1c([C@H]2[C@@H]3CCO[C@@H]32)nnc1S(=O)(=O)Cl	2330714386	UUKRCAAGRDZNQL-FXQIFTODSA-N	307.759	0.354	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1C(=O)c1csc([C@@H](C)N)n1	159546241	XPRHNFYOSCQNGK-SCZZXKLOSA-N	312.395	0.140	70	10	DCIE	
CNC(=O)[C@H]1COCCN1c1ccc(C(N)=S)c(Cl)c1	159799344	KYUYYEIGYGAXGS-LLVKDONJSA-N	313.810	0.925	70	10	DCIE	
COc1c(F)cc(C(=O)NC[C@@H]2C[C@@H]2C)cc1S(N)(=O)=O	160323476	YKCAZCHQVHGQOD-CBAPKCEASA-N	316.354	0.868	70	10	DCIE	
Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)[C@H]1CCO[C@@H]1C	160506609	HDCDVJDHWFZRNR-MFKMUULPSA-N	312.391	0.892	70	10	DCIE	
Cn1nccc1CNC(=O)CCCNC(=O)c1cccnc1	161461645	ZKQXVAQOQFPYTQ-UHFFFAOYSA-N	301.350	0.642	70	10	DCIE	
CC(C)(C#N)CCn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	215914952	OBFOZLRXPPOCJO-UHFFFAOYSA-N	305.743	0.404	70	10	DCIE	
CC(C)NCCN(CCO)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1279830525	DVJOPBDDAYARBK-UHFFFAOYSA-N	321.374	0.105	70	10	DCIE	
CC(C)(C)OC(=O)NC/C=C/C(=O)N1CC(S(=O)(=O)F)C1	1897480968	IEXJTCHXNHJVFN-SNAWJCMRSA-N	322.358	0.577	70	10	DCIE	
COc1cncc(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)c1	1968226558	DJIXMEFBJZDYFB-LLVKDONJSA-N	302.327	0.994	70	10	DCIE	
CC(C)(C)NS(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2078990430	KEIAXGJGSWWGHS-UHFFFAOYSA-N	302.393	0.241	70	10	DCIE	
COC1(CNC(=O)c2cc(S(=O)(=O)Cl)cn2C)CC1	2110292274	QEVLQEJMKZIYKO-UHFFFAOYSA-N	306.771	0.861	70	10	DCIE	
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)cn1	2144733150	MYHPGVWPRNOECB-SNVBAGLBSA-N	319.339	0.016	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1CCCCCO1	2152617073	CWGVMTLLKOHKRT-QMMMGPOBSA-N	322.770	0.836	70	10	DCIE	
COCC1(C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CCC1	2157474264	CLVLOYNWQHRLMJ-UHFFFAOYSA-N	305.331	0.255	70	10	DCIE	
O=C([C@@H]1CCn2nccc2C1)N1CC[C@@H](S(=O)(=O)F)C1	2165273377	LCFSZAZFEHTYKO-MWLCHTKSSA-N	301.343	0.346	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@H]1C[C@H]2CC[C@H]1O2	2168075525	LVRGZQFPEDNLTM-BWZBUEFSSA-N	320.754	0.444	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1C[C@@]1(C)COCCO1	2182342560	BHYHPLNUEWGREW-NSHDSACASA-N	324.786	0.763	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2287070083	DMDNHAFUVPYBDQ-PQTSNVLCSA-N	302.371	0.683	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1ccc2scnc2c1	2296078100	WRCLENACHYQRBS-UHFFFAOYSA-N	315.351	0.925	70	10	DCIE	
O=S(=O)(Cl)c1c[nH]nc1-c1cccc(-n2cnnn2)c1	104939871	IWCNQIAHXKQAPD-UHFFFAOYSA-N	310.726	0.980	70	10	DCIE	
CC(C)(C)NC(=O)CNS(=O)(=O)c1cc(N)ccc1F	159843160	UBXIFSOJOPXLOL-UHFFFAOYSA-N	303.359	0.601	70	10	DCIE	
COC(=O)c1cc(N)ccc1S(=O)(=O)NCC(C)(C)OC	159892670	VPZSGMHTCBITHF-UHFFFAOYSA-N	316.379	0.759	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N3)c1	160321848	UQKUQAMGNDDNOU-GDPRMGEGSA-N	310.375	0.875	70	10	DCIE	
CC[C@@H](C(N)=S)N1CCN(c2ccn3nccc3n2)CC1	160894318	PMVJIAIVRXXZIX-NSHDSACASA-N	304.423	0.916	70	10	DCIE	
COCCN1CCN(C(=O)C(=O)Nc2nocc2C)C[C@H]1C	161238599	SDTSSPIEMLVHJT-LLVKDONJSA-N	310.354	0.101	70	10	DCIE	
Cc1noc(NC(=O)Cn2c(-c3cccnc3)noc2=O)n1	161288738	QAQSRSKCFVKQMV-UHFFFAOYSA-N	302.250	0.228	70	10	DCIE	
CS(=O)(=O)c1c(CS(=O)(=O)Cl)ccc2c1OCO2	258842205	SIDLZANHKFNDMS-UHFFFAOYSA-N	312.752	0.887	70	10	DCIE	
COC1(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)CCCC1	692827646	PTYNFLZINPNKPG-UHFFFAOYSA-N	322.770	0.836	70	10	DCIE	
O=C(NCc1ncc2c(n1)CCC2)c1cc(S(=O)(=O)F)c[nH]1	1142021280	CZSYWTSOIJIXNA-UHFFFAOYSA-N	324.337	0.882	70	10	DCIE	
O=C(NCCC[C@H]1CCOC1=O)c1cc(S(=O)(=O)F)c[nH]1	1537050903	GBUMGSFGXCEACH-QMMMGPOBSA-N	318.326	0.746	70	10	DCIE	
CO[C@H](C)[C@@H](C)NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	2105039045	WGZXQGUFVXHNQZ-IYSWYEEDSA-N	309.775	0.799	70	10	DCIE	
CCCS(=O)(=O)NC1CN(c2ncc([B-](F)(F)F)cn2)C1	2172777253	ABTCGHQLOLYVSD-UHFFFAOYSA-N	323.129	0.049	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@]12CCC[C@H]1CSC2	2287069198	PNXOXLZRCNFAAD-HOSYDEDBSA-N	322.427	0.925	70	10	DCIE	
COC(=O)[C@@H]1C[C@H](N(O)C(N)=O)CN1C(=O)OC(C)(C)C	217873146	CIAWLJUAYIEOQY-YUMQZZPRSA-N	303.315	0.307	70	10	DCIE	
Cc1c(C(=O)Nc2ncc(S(=O)(=O)F)s2)nnn1C	1132039690	YLIGAMKMGZHFSM-UHFFFAOYSA-N	305.316	0.491	70	10	DCIE	
CCOC(C)(C)Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	702746539	DGRRPNWUCAUDAF-UHFFFAOYSA-N	310.759	0.692	70	10	DCIE	
COC[C@@H](CCNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1)OC	694400742	SFVDSKIRZAKRKR-MRVPVSSYSA-N	324.786	0.724	70	10	DCIE	
C#CC1(F)CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	1965812460	SJJOTKRXPFCQTK-UHFFFAOYSA-N	321.326	0.691	70	10	DCIE	
C[C@@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCC(=O)N(C)C3)ccc2O1	160083917	PIIRZJDVVFOPSS-ZYHUDNBSSA-N	324.402	0.909	70	10	DCIE	
O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[C@H]1c1c(F)cccc1F	160293462	QBBKSMSBHDGYTI-DRTBCBBWSA-N	309.272	0.535	70	10	DCIE	
Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)[C@@H]1CCO[C@@H]1C	160506469	HDCDVJDHWFZRNR-ZWNOBZJWSA-N	312.391	0.892	70	10	DCIE	
Nc1ncc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cn1	160895445	WIDOPSXLCWOGPQ-ZWNOBZJWSA-N	312.395	0.375	70	10	DCIE	
Cc1nc(N)sc1C(=O)N1CCOC[C@@H]1C(=O)NC1CC1	159645118	NJOLITHOTOGFOW-SECBINFHSA-N	310.379	0.153	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)C2[C@H]3CCCC[C@H]23)C1	2134974207	BVBAFEWTOXZISH-UWVGGRQHSA-N	311.400	0.736	70	10	DCIE	
O=C1CC[C@@H]2CN(S(=O)(=O)C3CCOCC3)CC[C@@H]2N1	160715783	UQQPNDNEVLNIFS-PWSUYJOCSA-N	302.396	0.096	70	10	DCIE	
CS(=O)(=O)CS(=O)(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2016099538	FTIBQLWKJWNAES-SSDOTTSWSA-N	308.132	0.632	70	10	DCIE	
CCS(=O)(=O)[C@H]1CCN(c2ncc([B-](F)(F)F)c(C)n2)C1	2179893034	KCRNLMAWSXOMBR-VIFPVBQESA-N	322.141	0.853	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1[C@@H]2[C@@H]1CCC2(F)F	2287073554	WEOGNECQVREGHB-BGZDPUMWSA-N	312.313	0.683	70	10	DCIE	
CCc1[nH]nc(C(=O)O[C@H]2CCOC2)c1S(=O)(=O)Cl	115022637	IBHNPVLXYUYERW-LURJTMIESA-N	308.743	0.845	70	10	DCIE	
COC(=O)c1[nH]nc(S(=O)(=O)Cl)c1Br	685947327	UPBCWNPOXZXPOM-UHFFFAOYSA-N	303.521	0.886	70	10	DCIE	
C#CCN[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C	939158974	TUKZTXVNMPAYKU-CABZTGNLSA-N	313.354	0.356	70	10	DCIE	
CC[C@@H](Oc1ccc(S(=O)(=O)Cl)cc1C(=O)O)C(N)=O	215674502	YJMPAFHCFXMGAM-MRVPVSSYSA-N	321.738	0.955	70	10	DCIE	
CCNCCCN(C)S(=O)(=O)NC[C@H]1CCCN1CC	217590969	GCOSAUNSIBJMIH-CYBMUJFWSA-N	306.476	0.237	70	10	DCIE	
CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cnc2c(c1)ncn2C	160311518	ZGKITPWFQSULNX-NSHDSACASA-N	319.390	0.572	70	10	DCIE	
Cc1cc(S(N)(=O)=O)ccc1C(=O)N(C)[C@H]1CCO[C@H]1C	160507309	RGNZWFHVLQEJBR-GWCFXTLKSA-N	312.391	0.892	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1nc(NCC)ncc1Cl	160533954	LTHZMTRITKLACO-JTQLQIEISA-N	313.789	0.903	70	10	DCIE	
CO[C@@]1(CNS(=O)(=O)c2cc(N)cc(C)c2C)CCOC1	159897509	UEQOHXFBJYKAAD-CQSZACIVSA-N	314.407	0.969	70	10	DCIE	
O=C1CN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)CCN1	159527386	HTDPVYZRXFZMFQ-JTQLQIEISA-N	323.784	0.455	70	10	DCIE	
CCCNC(=O)[C@@H](C)Nc1ccc(S(=O)(=O)NC)c(N)c1	159594145	AIWOVUIIDPBJKE-SECBINFHSA-N	314.411	0.504	70	10	DCIE	
CCn1cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1C[C@@H]1OC	2131647956	QRJMAIRBIPCLEL-SCZZXKLOSA-N	306.771	0.953	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1ccc(O)nc1	1974403016	SWIDHRZKQRTCSZ-UHFFFAOYSA-N	303.315	0.196	70	10	DCIE	
CN1CCC[C@H](n2cc(S(=O)(=O)Cl)c([N+](=O)[O-])n2)C1=O	2157370729	UDIDDADVMSZOEW-LURJTMIESA-N	322.730	0.512	70	10	DCIE	
C[C@@H]1CN(CCn2cc(S(=O)(=O)Cl)cn2)C[C@@H](C)O1	313784037	BNQKENBLENLYNE-NXEZZACHSA-N	307.803	0.920	70	10	DCIE	
CO[C@@H]1COC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)c(C)o1	2177286586	ZSVCGHSFKWVVLV-VXNVDRBHSA-N	323.754	0.659	70	10	DCIE	
Cc1nc(S(=O)(=O)Cl)cn1C[C@@H]1OC[C@@H]2CCO[C@H]21	2089696386	OYIUSRKHTFVADF-ATZCPNFKSA-N	306.771	0.923	70	10	DCIE	
O=C(c1nccnc1Br)N1CC(S(=O)(=O)F)C1	2248061427	PWGGKCDUOVTZSO-UHFFFAOYSA-N	324.131	0.363	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C(F)(F)CC1CC1	2271492857	CMGUJQDOWRCEHK-QMMMGPOBSA-N	300.302	0.827	70	10	DCIE	
CCCCN(CC(N)=O)S(=O)(=O)c1cc(N)cc(C)c1F	159480422	XJGOQDVITPSFIM-UHFFFAOYSA-N	317.386	0.992	70	10	DCIE	
CNC(=O)[C@@H]1COCCN1c1nc(C)cc(C)c1C(N)=S	159801523	IVZQVTFZHGOMIU-JTQLQIEISA-N	308.407	0.284	70	10	DCIE	
COc1cc(N)ccc1S(=O)(=O)NC[C@@]1(OC)CCOC1	159895343	YGGPQFMSWVWMDQ-ZDUSSCGKSA-N	316.379	0.361	70	10	DCIE	
COC(=O)Cn1ncc(N2CC[C@@H](N)C[C@H]2C)c(Cl)c1=O	159929709	XLXDUYCFVPMAEY-RKDXNWHRSA-N	314.773	0.386	70	10	DCIE	
CN(C)C(=O)NCCNCC(=O)Nc1c(F)cccc1F	160945318	SHLUAQMPNDEFKR-UHFFFAOYSA-N	300.309	0.764	70	10	DCIE	
CN(C)CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	163322657	RCTYQLHLHAZDPD-UHFFFAOYSA-N	324.399	0.527	70	10	DCIE	
CCOc1nccnc1S(=O)(=O)CCS(=O)(=O)Cl	686311620	GTUOSULGBZIQRJ-UHFFFAOYSA-N	314.772	0.218	70	10	DCIE	
CCNC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1483588220	SIRTZUROZUJHLP-NSHDSACASA-N	303.359	0.791	70	10	DCIE	
O=S1(=O)C[C@H]2CCN(c3ncc(F)cc3[B-](F)(F)F)[C@H]2C1	2188590812	REGJQCUUPHBLBX-XCBNKYQSSA-N	323.100	0.898	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21	2287073557	WEOGNECQVREGHB-XAVMHZPKSA-N	312.313	0.683	70	10	DCIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)C12CCC(CC1)OC2	2287075626	DSTPTIGGOUWIKM-BMQDGWLCSA-N	306.359	0.350	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1OC[C@@H]2CCC[C@H]21	2287077716	FFVYFDJYTCYDCG-LNFKQOIKSA-N	306.359	0.206	70	10	DCIE	
O=C1C[C@@H](NC(=O)N2CCNCC2)CN1Cc1ccccc1	217286379	NBMYZMWICJSUQJ-CQSZACIVSA-N	302.378	0.402	70	10	DCIE	
COC(=O)[C@H](OS(=O)(=O)C(F)(F)F)[C@H]1COC(C)(C)O1	1615863488	QOTALJRVDSIPAG-PHDIDXHHSA-N	322.257	0.546	70	10	DCIE	
Cc1ccc(S(C)(=O)=O)cc1NC(=O)COC1(C)CNC1	161104184	VFWJFJRTPJUXPE-UHFFFAOYSA-N	312.391	0.716	70	10	DCIE	
COC(=O)Cn1ncc(N(C)[C@@H]2CCCNC2)c(Cl)c1=O	159418515	HISYKKJRJXYVCE-SECBINFHSA-N	314.773	0.258	70	10	DCIE	
O=C([C@H]1COc2ccccc2O1)N1CC(S(=O)(=O)F)C1	1968218342	UOQWELGBRAZLCL-LLVKDONJSA-N	301.295	0.337	70	10	DCIE	
COC[C@@]1(C(=O)N2CCC(S(=O)(=O)F)CC2)CCCO1	1968216865	FJNDAIQTAWYIOL-GFCCVEGCSA-N	309.359	0.472	70	10	DCIE	
CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)F)C1	1954656110	LYSJXSHNAMMOHX-IUCAKERBSA-N	312.363	0.815	70	10	DCIE	
CN1C(=O)C[C@@H](Oc2ccc(F)cc2S(=O)(=O)Cl)C1=O	2152390242	NQIKJTYNZLDWTI-MRVPVSSYSA-N	321.713	0.889	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1C[C@@H]2CC[C@H](C1)O2	2181314295	MDEBHDFZAKKISN-JGPRNRPPSA-N	306.359	0.206	70	10	DCIE	
O=C1C[C@@H](COc2ccc(S(=O)(=O)F)cc2C(=O)O)N1	2191420733	AGXJQGJMVMLBSM-LURJTMIESA-N	303.267	0.310	70	10	DCIE	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)c1	2199699113	VLKUQDHIKWKPFR-UHFFFAOYSA-N	324.311	0.267	70	10	DCIE	
O=C(C[C@H]1CCCC1(F)F)NC1CN(S(=O)(=O)F)C1	2268806825	YTJXHMBNQAIMHK-SSDOTTSWSA-N	300.302	0.827	70	10	DCIE	
O=C(N1CC(CS(=O)(=O)F)C1)[C@@]1(O)C[C@@H]1C(F)(F)F	2344048864	UJTQPPKGJMSOET-POYBYMJQSA-N	305.249	0.057	70	10	DCIE	
CS(=O)(=O)c1csc(C(=O)N2CCCC[C@H]2C(N)=O)c1	159924880	SMIRXXGWMOTFIT-VIFPVBQESA-N	316.404	0.632	70	10	DCIE	
CCCC(=O)NCC(=O)N[C@H]1CCCn2nc(COC)nc21	159994942	KWIGLEOFWWFIRR-JTQLQIEISA-N	309.370	0.292	70	10	DCIE	
CCNc1nnc(CN2CCOC[C@@H]2C(=O)NC2CC2)s1	160391993	BXJBDPFNUWZKFB-SNVBAGLBSA-N	311.411	0.449	70	10	DCIE	
O=C(CCn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1)NC1CC1	215915151	ZRBJPKFCYOWEIS-UHFFFAOYSA-N	322.730	0.388	70	10	DCIE	
CC(C)S(=O)(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1	217042613	WIFHJNOCSPRWBM-OLZOCXBDSA-N	317.455	0.305	70	10	DCIE	
COC(C)(C)CCn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	231046419	VFZADMSPBYXEAV-UHFFFAOYSA-N	310.759	0.279	70	10	DCIE	
C#CCN(C)CCNC(=O)c1ccc(S(=O)(=O)Cl)cc1	392935163	NCFIWCHRPOKEKK-UHFFFAOYSA-N	314.794	0.909	70	10	DCIE	
O=S(=O)(Cl)CCSc1cc(N2CCOCC2)ncn1	2102005277	GSGCAXQCGXDAOT-UHFFFAOYSA-N	323.827	0.974	70	10	DCIE	
COc1nc(N2CC(C[S@@](C)=O)C2)ncc1[B-](F)(F)F	2116127678	AYCWGRCRZKCRHN-HXUWFJFHSA-N	308.114	0.354	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1Cc1nnc(C)o1	2125954773	YSTCHMYHTPUXAZ-UHFFFAOYSA-N	306.731	0.697	70	10	DCIE	
C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)F)nc2)CNC(=O)C1	2172376006	ATBPJGLYXCWLKG-NSHDSACASA-N	301.299	0.205	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CCO[C@@H]3COCC[C@@H]32)n1	2172764976	KXYLBAFOCBHCDB-WDEREUQCSA-N	302.085	0.834	70	10	DCIE	
CCn1nnc(Cn2cc(S(=O)(=O)Cl)nc2C(C)C)n1	2197871680	IDTMFWJUFRQUEJ-UHFFFAOYSA-N	318.790	0.989	70	10	DCIE	
CS(=O)(=O)N1CCC(Oc2ncccc2[B-](F)(F)F)CC1	2285598160	CEHJGELWLNNPCV-UHFFFAOYSA-N	323.125	0.939	70	10	DCIE	
Cc1cc(N)cc(S(=O)(=O)NC[C@@H]2CCN(C)C2)c1F	159475808	WWCMHZDDSJIMRA-JTQLQIEISA-N	301.387	0.946	70	10	DCIE	
CCNc1ncc(S(=O)(=O)NCC(=O)NC(C)(C)C)cn1	159969733	UVZQRKNNJPNXDV-UHFFFAOYSA-N	315.399	0.101	70	10	DCIE	
CCNC(=O)[C@@H]1COCCN1c1nc(Cl)nc(NCC)n1	160532914	YPRPKTFOIYJPLH-QMMMGPOBSA-N	314.777	0.298	70	10	DCIE	
O=S(=O)([C@@H]1CCCNC1)N1CC[C@@]2(O)CCCC[C@H]2C1	160802348	WORIQQGOJSFZKX-MJBXVCDLSA-N	302.440	0.695	70	10	DCIE	
C[C@@H]1COCCN1S(=O)(=O)c1cccc(S(=O)(=O)F)c1	166143409	LBGRRFHSYVXBFA-SECBINFHSA-N	323.367	0.754	70	10	DCIE	
COc1ccc(OC)c(NS(=O)(=O)N(C)CCCO)c1	217592455	SZBYIXCTNWWBPH-UHFFFAOYSA-N	304.368	0.675	70	10	DCIE	
CCN(CC)CCC[C@H](C)NS(=O)(=O)N(C)CCCO	217962335	NDBPZUAQOSURKQ-ZDUSSCGKSA-N	309.476	0.646	70	10	DCIE	
CC[C@@H](N)c1cccc(S(=O)(=O)N(C)C[C@@H](O)COC)c1	218037865	PCFJKGWNZWFEJR-TZMCWYRMSA-N	316.423	0.724	70	10	DCIE	
CO[C@H]1C[C@H](CNC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)C1	714567467	YHZLCXZNLAZVIL-ZKCHVHJHSA-N	321.786	0.800	70	10	DCIE	
C[C@@H](C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F)[C@@H]1CCCO1	1923164371	UROITCVVFCDANI-SFYZADRCSA-N	305.331	0.254	70	10	DCIE	
CCCc1c(-c2nnc(S(=O)(=O)Cl)n2CC)nnn1C	1923536278	QHPSFLKZRCPPJK-UHFFFAOYSA-N	318.790	0.974	70	10	DCIE	
O=C([C@@H]1C[C@@H]1C(F)(F)F)N1CCN(S(=O)(=O)F)CC1	2107409341	BBVJHRLSRAPCAM-RQJHMYQMSA-N	304.265	0.543	70	10	DCIE	
CCS(=O)(=O)C[C@@H](C)N(C)c1ncc([B-](F)(F)F)cn1	2116147371	BNTQKFARMVLSQB-MRVPVSSYSA-N	310.130	0.790	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1C[C@H]2C=C[C@H]1CC2	2164435116	GITAXVGRDHOMAR-DLOVCJGASA-N	302.371	0.851	70	10	DCIE	
C[C@]1(C(=O)Nc2ccccc2S(=O)(=O)F)CNC(=O)C1	2172376655	HDEJHFYLJPXSML-GFCCVEGCSA-N	300.311	0.810	70	10	DCIE	
Cc1[nH]nc(C(=O)NC[C@@H]2[C@H]3CCO[C@@H]23)c1S(=O)(=O)Cl	2176436785	VMJHEDPREVUZKL-ZXFLCMHBSA-N	319.770	0.410	70	10	DCIE	
C#CCNC(=O)COc1c(F)cc(S(=O)(=O)F)cc1F	2191422243	RMDMXCJOFPVLIY-UHFFFAOYSA-N	307.249	0.751	70	10	DCIE	
O=S(=O)(C[C@@H]1CCCO1)Nc1ccc(S(=O)(=O)F)nc1	2166520215	XKIXKGIFQACOLS-VIFPVBQESA-N	324.355	0.661	70	10	DCIE	
CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(S(=O)(=O)F)CCO2	1955897125	ACFFOIBAKZMUEE-LBPRGKRZSA-N	324.374	0.913	70	10	DCIE	
C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1123568003	OBTGUERMIYSPEJ-JGVFFNPUSA-N	317.342	0.399	70	10	DCIE	
O=C(NC[C@H]1[C@H]2OCC[C@H]12)c1cc(S(=O)(=O)Cl)c[nH]1	2119903165	LUPFIQXLZADQKK-MRTMQBJTSA-N	304.755	0.707	70	10	DCIE	
COCCN1CCN(C(=O)C(=O)Nc2ccc(F)nc2)C[C@@H]1C	160363462	YOOIGKMLKJRCFP-NSHDSACASA-N	324.356	0.338	70	10	DCIE	
C[C@@](O)(Cc1ccccc1F)[C@@]1(CN)CCS(=O)(=O)C1	159416277	TYIYLMBQPKXUJY-ZIAGYGMSSA-N	301.383	0.883	70	10	DCIE	
CCC[C@@H](C(=O)N1CCOC[C@H]1C(=O)NC(C)C)C(N)=S	159786612	JRTDKXYXODNLBA-MNOVXSKESA-N	315.439	0.441	70	10	DCIE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	1923157048	RRPHOQUDCFDSOV-RYPBNFRJSA-N	301.343	0.731	70	10	DCIE	
O=C([C@H]1C[C@@H]2CC[C@H](C1)O2)N1CCN(S(=O)(=O)F)CC1	1974013807	ALHFLEBIDSCWDV-RTCCRHLQSA-N	306.359	0.303	70	10	DCIE	
Cc1noc(C)c1C(=O)NC1CCN(S(=O)(=O)F)CC1	1974402682	PYZOSTVFIZVAGI-UHFFFAOYSA-N	305.331	0.700	70	10	DCIE	
O=C([C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@H]21)N1CC(CCS(=O)(=O)F)C1	2199690539	YFFDBRKRHWWSOH-KQSJRHEJSA-N	303.355	0.558	70	10	DCIE	
CC1(C)CC(S(=O)(=O)NCC2CN(S(=O)(=O)F)C2)C1	2108157281	LFXQSHHNNSWUNO-UHFFFAOYSA-N	314.404	0.241	70	10	DCIE	
C[C@H]1CC[C@@H](S(C)(=O)=O)CN1CCCS(=O)(=O)Cl	2253682113	ZPQZJBMTHRVVGM-VHSXEESVSA-N	317.860	0.843	70	10	DCIE	
C[C@@]1([B-](F)(F)F)CCN(S(=O)(=O)N2CC[C@H](O)C2)C1	2319747235	DTRMATWJSVRAJY-DTWKUNHWSA-N	301.119	0.611	70	10	DCIE	
CCOC[C@H](C)NC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl	115019907	QCFHJFLHUDEQIU-LURJTMIESA-N	309.775	0.800	70	10	DCIE	
O=c1[nH]c(=O)n(CCC[C@H]2CCCO2)cc1S(=O)(=O)Cl	115667860	HYWWYLZLOATGQF-QMMMGPOBSA-N	322.770	0.423	70	10	DCIE	
C[C@H]1C[C@@H]1CNS(=O)(=O)c1cnn(CCCNC2CC2)c1	160851162	WGDSRFICQVOOIO-NWDGAFQWSA-N	312.439	0.960	70	10	DCIE	
CN(C)C[C@@](C)(O)CNS(=O)(=O)c1cccc2ncccc12	161411928	SXFMTPRWRKSTEX-HNNXBMFYSA-N	323.418	0.826	70	10	DCIE	
CC(C)Cn1c(-c2ccc(=O)[nH]n2)nnc1S(=O)(=O)Cl	232661248	LMRURYOXYAPHKB-UHFFFAOYSA-N	317.758	0.612	70	10	DCIE	
Cc1[nH]nc(C(=O)O[C@@H]2COC[C@H]2C)c1S(=O)(=O)Cl	703437034	BLROUQSVEKQXML-IYSWYEEDSA-N	308.743	0.837	70	10	DCIE	
C#C[C@]1(O)CCN(C(=O)c2ccc(S(=O)(=O)Cl)cc2)C1	707973750	BZUVPRNSZHPWPY-ZDUSSCGKSA-N	313.762	0.824	70	10	DCIE	
CO[C@H]1CCOC[C@@H]1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	725040600	FCUFQLCBLMOJSF-UWVGGRQHSA-N	322.770	0.476	70	10	DCIE	
CS(=O)(=O)NCC[C@H]1CCCCN1S(=O)(=O)Cl	958678745	GAPCQEMSJSCZBI-MRVPVSSYSA-N	304.821	0.264	70	10	DCIE	
CC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H](O)C(F)F	1347339040	BSXDNZGGNBPTPL-HTRCEHHLSA-N	314.285	0.807	70	10	DCIE	
CC(=O)N[C@H](CS(C)(=O)=O)C(C)(C)CS(=O)(=O)Cl	1952660815	ZVXTYGGXNMUIEM-MRVPVSSYSA-N	319.832	0.131	70	10	DCIE	
Cc1cc(O[C@H]2CC(=O)N(C)C2=O)ccc1S(=O)(=O)F	2191426350	OCIONRCLHWHBEZ-VIFPVBQESA-N	301.295	0.789	70	10	DCIE	
Cc1ccccc1S(=O)(=O)NC1CN(S(=O)(=O)F)C1	2268773728	RYNJJOSZEVFFHR-UHFFFAOYSA-N	308.356	0.172	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@]12CCC[C@@H]1CSC2	2287069194	PNXOXLZRCNFAAD-CKYFFXLPSA-N	322.427	0.925	70	10	DCIE	
CN(c1ncc([B-](F)(F)F)cn1)[C@H]1CC[C@H](S(C)(=O)=O)C1	2361708123	HALRKWSSKFGRQB-UWVGGRQHSA-N	322.141	0.933	70	10	DCIE	
Cc1[nH]nc(C(=O)OC[C@@H]2[C@H]3COC[C@H]32)c1S(=O)(=O)Cl	2367586711	OXGLMKCUMZFDOS-JIGDXULJSA-N	320.754	0.695	70	10	DCIE	
CCn1c([C@@H]2CCn3ncnc3C2)nnc1S(=O)(=O)Cl	2165275849	QIPNQNSUJAVOCR-SSDOTTSWSA-N	316.774	0.547	70	10	DCIE	
COc1nc(N(C)C)sc1CNCCCNS(C)(=O)=O	218214047	SFKRYQHXGJZQPE-UHFFFAOYSA-N	322.456	0.247	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1Cc1n[nH]c(C)n1	2125954859	ZQCSHUNYDZQRRN-UHFFFAOYSA-N	305.747	0.432	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1c1cc(N)nc(SC)n1	160559857	DPAJJWSKELMFNA-VIFPVBQESA-N	311.411	0.512	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)CCOC2CCC2)n1	1923164689	ZSXSIBSOWAHORT-UHFFFAOYSA-N	305.331	0.976	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1C(=O)[C@@](C)(CC)C(N)=S	159772568	FVCKWXOZTOQLDM-RNCFNFMXSA-N	301.412	0.052	70	10	DCIE	
COC(=O)c1ccc(S(=O)(=O)NCC(C)(C)CO)cc1	160354615	UPPKVNDTBPCBOH-UHFFFAOYSA-N	301.364	0.770	70	10	DCIE	
Nc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)C1CC1	160653143	LSSCZHFSVJXVNF-UHFFFAOYSA-N	317.798	0.727	70	10	DCIE	
COCCNC(=O)[C@H]1COc2ccc(S(=O)(=O)Cl)cc21	115785414	JBNKENDSVPVEGL-JTQLQIEISA-N	319.766	0.853	70	10	DCIE	
CCC(CC)(CNC[C@@H](O)CN1CCCC1=O)C(=O)OC	159651960	GCEFPYZZHCHGNR-GFCCVEGCSA-N	300.399	0.539	70	10	DCIE	
CCNC(=O)[C@H]1COCCN1c1nc(C)ccc1C(N)=S	159794312	FGYHIJXPTHBTFK-LLVKDONJSA-N	308.407	0.366	70	10	DCIE	
COCCOCCCCNS(=O)(=O)c1sc(=O)[nH]c1C	159871193	DFEVLQNUSJTINC-UHFFFAOYSA-N	324.424	0.466	70	10	DCIE	
O=C(NC1CC1)[C@@H]1COCCN1c1ncnc(Cl)c1CO	160093700	QNLUTAOVZKLXIG-JTQLQIEISA-N	312.757	0.106	70	10	DCIE	
CC(C)(C)OC(=O)N1CCN(C[C-]2N=C=NO2)[C@@H](C(=O)O)C1	725524734	ZZRWSSVGPKGXTE-SECBINFHSA-N	311.318	0.601	70	10	DCIE	
C=CCN[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C	939158451	KZHNASJRWUEIFV-JOYOIKCWSA-N	315.370	0.909	70	10	DCIE	
C[C@H](O)CNC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1319533299	CRFKEKXVILDVAC-IUCAKERBSA-N	321.374	0.104	70	10	DCIE	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H](C(N)=O)C(C)C	1527296038	OZNPQVDVKCQMCO-LLVKDONJSA-N	316.354	0.893	70	10	DCIE	
Cc1nn(C)c(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1C#N	1531534261	PINOFKIDINJBFA-UHFFFAOYSA-N	311.298	0.839	70	10	DCIE	
O=S(=O)(Cl)CCCN1CC[C@H]2CS(=O)(=O)C[C@@H]21	1946002552	ZKMBXVKQJFGCDZ-IUCAKERBSA-N	301.817	0.064	70	10	DCIE	
CCS(=O)(=O)NC1CN(c2nc([B-](F)(F)F)cs2)C1	2052600323	VMZPRZFLOMSYFS-UHFFFAOYSA-N	314.143	0.325	70	10	DCIE	
O=C(N1CCC(S(=O)(=O)F)CC1)[C@]12COC[C@@H]1C2(F)F	2161915057	YVIYWPOYFSWBDP-WPRPVWTQSA-N	313.297	0.558	70	10	DCIE	
Fc1cc([B-](F)(F)F)cnc1N1CCN(C2COC2)CC1	2172792473	RRURIZMHHWMJCU-UHFFFAOYSA-N	304.076	0.796	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2CC(S(C)(=O)=O)C2)n1	2265929516	GHFVCYMTKXUYIT-UHFFFAOYSA-N	309.098	0.378	70	10	DCIE	
COc1cc(C(=O)NC2CN(S(=O)(=O)F)C2)ccc1C	2284154335	YIGIMZWQSJJOMY-UHFFFAOYSA-N	302.327	0.632	70	10	DCIE	
C[C@@](O)(Cc1ccc(F)cc1)[C@]1(CN)CCS(=O)(=O)C1	159423844	UMLLBUWIRUZXON-KGLIPLIRSA-N	301.383	0.883	70	10	DCIE	
COC(=O)Cn1ncc(N(C)CC(C)(C)CN)c(Cl)c1=O	159773057	UPGOSIYLOGOVHJ-UHFFFAOYSA-N	316.789	0.491	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)Cc2cccc(N)c2)CCOC1	159900379	GCNJVHZJNRSTQG-ZDUSSCGKSA-N	300.380	0.494	70	10	DCIE	
CN(C)c1nc(CN2CCO[C@H](Cn3cccn3)C2)ns1	159983416	WJVVFTMPIBWXLT-NSHDSACASA-N	308.411	0.702	70	10	DCIE	
CCc1noc(C)c1NC(=O)C(=O)NCCN(C)CCOC	160669000	OCQVVHRWJFBCRH-UHFFFAOYSA-N	312.370	0.178	70	10	DCIE	
Cc1c(S(=O)(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c(N)nn1C	218071750	MLOFHGZTFVQODZ-WCBMZHEXSA-N	301.416	0.072	70	10	DCIE	
CS(=O)(=O)CCC(=O)Nc1ccccc1S(=O)(=O)F	701176962	PSEXOIUHHRAAMF-UHFFFAOYSA-N	309.340	0.718	70	10	DCIE	
COCCn1c(COC2CCC2)nnc1S(=O)(=O)Cl	716947704	SGYSFBHOZIBEMW-UHFFFAOYSA-N	309.775	0.921	70	10	DCIE	
C#CCCN[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1266971882	QKSYOSJJXXMOKD-VIFPVBQESA-N	301.343	0.404	70	10	DCIE	
O=C(Nc1cnc2ccnn2c1)c1cc(S(=O)(=O)F)c[nH]1	1538953897	YOSVDJFIXSUOGN-UHFFFAOYSA-N	309.282	0.968	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)c1ccc(O)cc1	1974401498	CIBGDOXGWKTIHU-UHFFFAOYSA-N	302.327	0.801	70	10	DCIE	
CC1(C)CN(CCCCS(=O)(=O)Cl)CCS1(=O)=O	2050969283	FWPQCLSQUIEPTG-UHFFFAOYSA-N	317.860	0.844	70	10	DCIE	
O=C(OCCn1cncn1)c1cc(S(=O)(=O)Cl)c[nH]1	2127968862	MVRDHSXOYTWEPV-UHFFFAOYSA-N	304.715	0.391	70	10	DCIE	
CS(=O)(=O)N1CCCN(c2ncc([B-](F)(F)F)cn2)CC1	2172773505	CDOYVLNAQKGVKA-UHFFFAOYSA-N	323.129	0.003	70	10	DCIE	
N#Cc1cc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)ccc1F	2199696144	GGVLOLLLMDNLDM-UHFFFAOYSA-N	322.314	0.370	70	10	DCIE	
CCc1[nH]nc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]32)c1S(=O)(=O)Cl	2355581903	QYTPYTDEWPGGHQ-GCHGDONOSA-N	319.770	0.417	70	10	DCIE	
COCCn1c([C@@H]2CO[C@H](C)C2)nnc1S(=O)(=O)Cl	133661527	CTSNTJGBISCZOP-SFYZADRCSA-N	309.775	0.744	70	10	DCIE	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NCC[S@@](C)=O	135261649	NJXZMTUJJIEBRA-KRWDZBQOSA-N	312.800	0.061	70	10	DCIE	
C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](O)CN1CCCCC1	160005211	NRDYOJLTNWTJTL-CHWSQXEVSA-N	323.393	0.361	70	10	DCIE	
CCNc1nnc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)s1	160184654	JHCHVKXFWQUHLR-SNVBAGLBSA-N	304.397	0.277	70	10	DCIE	
O=S(=O)(F)c1ccc(S(=O)(=O)N[C@@H]2CCOC2)cc1	163330166	FFDMSJGPVZUWSH-MRVPVSSYSA-N	309.340	0.412	70	10	DCIE	
C[C@@H]1CC[C@@H](Cn2cc(S(=O)(=O)Cl)c(=O)[nH]c2=O)O1	232023559	MUOCMTSKZADNIL-RQJHMYQMSA-N	308.743	0.032	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1CCCN(C)C	306013820	SCMMRVYPNWULMB-UHFFFAOYSA-N	310.763	0.979	70	10	DCIE	
CON1CC[C@H](OC(=O)c2ccc(S(=O)(=O)F)cc2)C1=O	922781195	NNOZFGJFHMGRGV-JTQLQIEISA-N	317.294	0.664	70	10	DCIE	
Cc1ccnn1CC(=O)Nc1ncc(S(=O)(=O)F)s1	1131810576	SFJXGFAMRCLEOM-UHFFFAOYSA-N	304.328	0.945	70	10	DCIE	
O=S(=O)(Cl)CCCN1C[C@H]2CCCS(=O)(=O)[C@H]2C1	2028432836	NZBDSCSKEJJFHZ-ZJUUUORDSA-N	315.844	0.454	70	10	DCIE	
COCCn1c([C@H]2C[C@@H]2COC)nnc1S(=O)(=O)Cl	2133500427	LIKNPIJKDGTGRB-SFYZADRCSA-N	309.775	0.602	70	10	DCIE	
CN1CCO[C@H]2CN(c3ncc(F)cc3[B-](F)(F)F)C[C@H]21	2188592851	XNCSKTLVYGTVPL-MNOVXSKESA-N	304.076	0.794	70	10	DCIE	
CS(=O)(=O)N1CC[C@@H](Oc2ccc([B-](F)(F)F)cn2)C1	2270092137	XLIOJEGTVSHCAP-SECBINFHSA-N	309.098	0.549	70	10	DCIE	
CCc1onc(C)c1C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287062740	JMVGFLYYKHYEOW-MRVPVSSYSA-N	305.331	0.564	70	10	DCIE	
CC1(C)CO[C@H](CC(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2287076417	SARTUBOKMMLVKD-VHSXEESVSA-N	308.375	0.596	70	10	DCIE	
CC1(C)[C@H]2CO[C@@]1(C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)C2	2289246701	MNPOMEARNVCJEX-VDDIYKPWSA-N	306.359	0.206	70	10	DCIE	
NS(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1	100628506	DNAJVXAWTDYSCS-UHFFFAOYSA-N	304.802	0.011	70	10	DCIE	
CCOC(=O)CCNS(=O)(=O)c1cc(N)cc(C)c1F	159509746	BUWGZSCPNSFIRU-UHFFFAOYSA-N	304.343	0.948	70	10	DCIE	
CNS(=O)(=O)c1ccc(N2CCN(C)C(C)(C)C2)cc1N	159624837	GFTTWSWXHOBRRY-UHFFFAOYSA-N	312.439	0.707	70	10	DCIE	
CO[C@]1(CNS(=O)(=O)c2cc(N)cc(F)c2)CCOC1	159895795	SYTYOODOJFIUJU-LBPRGKRZSA-N	304.343	0.492	70	10	DCIE	
CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)CC2	160065282	QEJRMPBFMDTBKY-MNOVXSKESA-N	320.397	0.075	70	10	DCIE	
COc1c(Cl)ncnc1N1CCOC[C@@H]1C(=O)NC(C)C	160284652	CQJYKYNYQLYZEZ-SECBINFHSA-N	314.773	0.868	70	10	DCIE	
CC(C)NCc1cn[nH]c1S(=O)(=O)NCCCN(C)C	217480312	GLKMDXZVOASOIW-UHFFFAOYSA-N	303.432	0.138	70	10	DCIE	
CCCn1c(-c2ccc(=O)[nH]c2)nnc1S(=O)(=O)Cl	233408539	LYSHHJKHDSVDEY-UHFFFAOYSA-N	302.743	0.971	70	10	DCIE	
NCC12CC(CN1C(F)(F)COS(=O)(=O)C(F)(F)F)C2	852755837	HNAQZURFJOURGF-UHFFFAOYSA-N	324.271	0.869	70	10	DCIE	
C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1123905930	XWSWXMJDMIEJII-UHFFFAOYSA-N	314.338	0.663	70	10	DCIE	
CS(C)(=O)=NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1456042947	SVUTWNCMYMKSPA-UHFFFAOYSA-N	311.360	0.130	70	10	DCIE	
CC(=O)NC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(C)C	1500702076	UPPUZDNPTURVIJ-NSHDSACASA-N	319.358	0.563	70	10	DCIE	
O=C(C[C@@H]1CCCC(=O)N1)Nc1ncc(S(=O)(=O)F)s1	1543645368	ZCRMDNWTGQPTNN-LURJTMIESA-N	321.355	0.799	70	10	DCIE	
CC(=O)N[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1703866257	SZIOXBMRJYBAMK-LLVKDONJSA-N	317.342	0.317	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2C(C)(C)C2(F)F)[nH]1	1923179174	YEPLXSGMSOAERH-LURJTMIESA-N	311.285	0.730	70	10	DCIE	
CO[C@@H]1CCC[C@@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C1	1974059920	PNFMEFZUIWEMJK-GHMZBOCLSA-N	308.375	0.454	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1Cc1nccn1C	2125954389	UHEUUIYUBYKXIN-UHFFFAOYSA-N	304.759	0.739	70	10	DCIE	
O=S1(=O)CC2(CCN(c3ncc([B-](F)(F)F)cn3)CC2)C1	2172772908	UFRZUKLAVKHJSK-UHFFFAOYSA-N	320.125	0.546	70	10	DCIE	
CN(CC1[C@@H]2COC[C@@H]12)C(=O)c1cc(S(=O)(=O)Cl)c[nH]1	2174640376	GERVRYUMISWHGK-UWVGGRQHSA-N	318.782	0.907	70	10	DCIE	
C#CCOC(=O)c1cc(S(=O)(=O)Cl)cn1CCOC	2269408640	LTHCPYIFMGESBG-UHFFFAOYSA-N	305.739	0.852	70	10	DCIE	
COc1cccc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)n1	2287069643	NBHYNHUFEQFFAH-QMMMGPOBSA-N	303.315	0.109	70	10	DCIE	
COC[C@H](CC(C)C)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287073967	ZWIMLMLRBYVSPG-WDEREUQCSA-N	310.391	0.700	70	10	DCIE	
CN1CCC[C@@H](CC(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2287076552	JJFONTGXJRWDLY-WDEREUQCSA-N	307.391	0.123	70	10	DCIE	
CC[C@@](C)(C(=O)NCC1CN(S(=O)(=O)F)C1)C(F)F	2336603622	BOKCQSYTIVRJRX-SNVBAGLBSA-N	302.318	0.930	70	10	DCIE	
C[C@@H](C(N)=O)S(=O)(=O)Cc1ccc(S(=O)(=O)F)cc1	857251083	CUVQYRUTAKICFY-ZETCQYMHSA-N	309.340	0.133	70	10	DCIE	
CCC[C@@H]1CC[C@@H](N)[C@@H](N2CCN(S(C)(=O)=O)CC2)C1	217962583	BJURIAVRPMVMEI-MCIONIFRSA-N	303.472	0.860	70	10	DCIE	
CN(CC1(O)CCOCC1)c1cccc(S(C)(=O)=O)c1N	161145372	SSTDZUCURZRSEK-UHFFFAOYSA-N	314.407	0.650	70	10	DCIE	
O=C(NCC1CCN(CCO)CC1)c1ccc2c(c1)OCO2	160718978	KBFKLFUKLHRIMG-UHFFFAOYSA-N	306.362	0.849	70	10	DCIE	
CCc1cc(C(=O)N[C@H]2CCCn3nc(COC)nc32)[nH]n1	159993612	NWSWUUMRUQAYKV-JTQLQIEISA-N	304.354	0.975	70	10	DCIE	
Cc1coc(S(=O)(=O)N2CC(CCS(=O)(=O)F)C2)c1	2134974198	BTLOJYKCFTYTAA-UHFFFAOYSA-N	311.356	0.898	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)C[C@H]2CCCCO2)n1	1923178968	VSOSUCGCOXIMRC-MRVPVSSYSA-N	305.331	0.976	70	10	DCIE	
CNS(=O)(=O)c1ccc(Sc2nccc(O)n2)cc1N	159676390	RQOQECNEIHVMGL-UHFFFAOYSA-N	312.376	0.824	70	10	DCIE	
COCCn1ncc(N2C[C@@H](N)C[C@@H](C)C2)c(Cl)c1=O	159800291	SISNEYCWAKENGJ-ZJUUUORDSA-N	300.790	0.717	70	10	DCIE	
CO[C@]1(CNc2ccc(S(N)(=O)=O)cc2F)CCOC1	160642731	UAYCOYCSFABNGN-LBPRGKRZSA-N	304.343	0.691	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)n1	2172764950	KMYZACWQNPZNTP-WPRPVWTQSA-N	320.125	0.463	70	10	DCIE	
CC[C@H]1C[C@@H](NC(=O)c2n[nH]c(C)c2S(=O)(=O)Cl)CO1	688460375	ZERKDBUUPKEKLP-SFYZADRCSA-N	321.786	0.943	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1C[C@]12CCOC2	2198327729	HNSRGRABWKOFPF-CPCISQLKSA-N	320.754	0.303	70	10	DCIE	
Cc1n[nH]cc1S(=O)(=O)N1CCC(S(=O)(=O)F)CC1	2088468399	BKHSMJASVSEOFO-UHFFFAOYSA-N	311.360	0.171	70	10	DCIE	
O=S(=O)(F)c1ccc(NS(=O)(=O)[C@@H]2CC2(F)F)cn1	2112526960	ZHGKEABIXUWKDS-ZCFIWIBFSA-N	316.282	0.889	70	10	DCIE	
CN(C[C@H]1CC(=O)N1S(=O)(=O)Cl)C(=O)OC(C)(C)C	2242015304	JQERCGLXTFJYOK-SSDOTTSWSA-N	312.775	0.938	70	10	DCIE	
CS[C@H](C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F)C1CC1	2335902462	OSUAQNQBYBUSRX-QMMMGPOBSA-N	307.372	0.580	70	10	DCIE	
COCCn1c([C@@H]2CCCOC2)nnc1S(=O)(=O)Cl	133332980	HLCCRCJGPUKGKF-MRVPVSSYSA-N	309.775	0.746	70	10	DCIE	
Cc1c(C(=O)Nc2c[nH]c(=O)c(C)c2)cccc1S(N)(=O)=O	159396536	VRBLDYAGVPGRLK-UHFFFAOYSA-N	321.358	0.891	70	10	DCIE	
CS(=O)(=O)c1ccc([S@](=O)CC(=O)[C@@H]2CCOC2)cc1	159539411	KOVRBMZAWMDNMJ-DGIBIBHMSA-N	316.400	0.803	70	10	DCIE	
CCc1cc(C(=O)N[C@@H]2CCCn3nc(COC)nc32)[nH]n1	159993489	NWSWUUMRUQAYKV-SNVBAGLBSA-N	304.354	0.975	70	10	DCIE	
CCNc1nnc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)s1	160087684	KGHOKTCZQSLBAK-ZETCQYMHSA-N	304.397	0.229	70	10	DCIE	
Cn1cnc2cc(C(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)cnc21	160782689	HTVFRBPFBLHKOD-UONOGXRCSA-N	316.361	0.988	70	10	DCIE	
Cc1noc([C@H]2COCCN2CCCNC(=O)C(F)(F)F)n1	161125915	NMFTZPSJAKXQQI-SECBINFHSA-N	322.287	0.820	70	10	DCIE	
CO[C@@H]1CN(C(=O)c2ccccc2-n2cncn2)CC[C@@H]1N	216747734	QUJSKEDAAPYQPC-GXTWGEPZSA-N	301.350	0.456	70	10	DCIE	
O=C(Cn1c(=O)cc[nH]c1=O)Nc1cccc(Br)c1	217458194	IEKFLGYRCKFXMK-UHFFFAOYSA-N	324.134	0.938	70	10	DCIE	
COc1nnc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)s1	1263854484	GRWIZBHCOOGIFS-UHFFFAOYSA-N	306.300	0.785	70	10	DCIE	
NC(=O)C1(NC(=O)c2cc(S(=O)(=O)F)ccc2Cl)CC1	1535209761	LIBDGOUQLPIZKW-UHFFFAOYSA-N	320.729	0.746	70	10	DCIE	
COc1cncnc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1584146708	MUCWPWPRALAFAH-UHFFFAOYSA-N	300.271	0.724	70	10	DCIE	
C[C@@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC[C@@H](C)O	1662974611	LZMNJDHYHSJSLR-DTWKUNHWSA-N	321.374	0.152	70	10	DCIE	
C#CCN(CCF)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1965846156	JFIYFBTYNCWWNM-UHFFFAOYSA-N	323.342	0.938	70	10	DCIE	
CCS(=O)(=O)[C@H]1CCN(CCCS(=O)(=O)Cl)C1	2009682688	OFGWQEPMVHKBQF-VIFPVBQESA-N	303.833	0.454	70	10	DCIE	
O=S(=O)(F)N1CCN(S(=O)(=O)CCC2CCC2)CC1	2107403002	RJHFYKLNSLRKAP-UHFFFAOYSA-N	314.404	0.338	70	10	DCIE	
CO[C@@H]1C[C@@H]1CNC(=O)c1cc(S(=O)(=O)Cl)cn1C	2131640139	SVPGJDLYEPVSHN-GMSGAONNSA-N	306.771	0.717	70	10	DCIE	
COCc1nc(S(=O)(=O)Cl)cn1CC[C@H]1CCNC1=O	2182345254	YWOPKYGXIDUQBA-MRVPVSSYSA-N	321.786	0.483	70	10	DCIE	
CCCN(c1ncc([B-](F)(F)F)cn1)[C@@H]1CCS(=O)(=O)C1	2201891097	FELVCNPJYXROML-SNVBAGLBSA-N	322.141	0.935	70	10	DCIE	
Cc1nc(Br)cc(N2CCS(=O)(=O)CC2)n1	160589284	TZUXSFDTTWPKTL-UHFFFAOYSA-N	306.185	0.782	70	10	DCIE	
CC(C)C[C@H](NS(C)(=O)=O)C(=O)NCC1(CO)CCCC1	160283724	MANVCTUEBNYMOZ-LBPRGKRZSA-N	320.455	0.619	70	10	DCIE	
CC(C)NC(=O)[C@@H]1COCCN1c1cc(C(N)=S)ccn1	159810995	JRKRPXFRLGMDIP-NSHDSACASA-N	308.407	0.446	70	10	DCIE	
Cc1cc(Cl)nc(CN2CCOC[C@H]2C(=O)NC2CC2)n1	159497357	UCGCOISMAWAETJ-NSHDSACASA-N	310.785	0.918	70	10	DCIE	
Cc1cc(Cl)nc(CN2CCC[C@@H](C(=O)NCCN)C2)n1	159739459	QEOJDUJXVMNXFM-LLVKDONJSA-N	311.817	0.725	70	10	DCIE	
O=S(=O)(F)CC1CN(S(=O)(=O)c2cccc(F)c2)C1	2134977818	XXGVYPWLZVTVPM-UHFFFAOYSA-N	311.331	0.746	70	10	DCIE	
Cn1ncc2cc(C(=O)N3CC(S(=O)(=O)F)C3)sc21	1968215352	DWGRGNQDPZMOHO-UHFFFAOYSA-N	303.340	0.759	70	10	DCIE	
Cc1cnc(C(=O)N2CCN(S(=O)(=O)F)CC2)c(C)c1	1974014105	DXDZWFZRXSFQDM-UHFFFAOYSA-N	301.343	0.671	70	10	DCIE	
COC1(C(=O)N2CCC(S(=O)(=O)F)CC2)CCOCC1	2144733765	TWGIMYRUDGYCPW-UHFFFAOYSA-N	309.359	0.472	70	10	DCIE	
CCCc1n[nH]c(C(=O)N2CCOCC2)c1S(=O)(=O)Cl	115787519	JQBNCZDQWLFTID-UHFFFAOYSA-N	321.786	0.762	70	10	DCIE	
COC(=O)Cn1ncc(NC[C@H](N)C2CC2)c(Cl)c1=O	159865136	IZGSIBZRLCYYPN-QMMMGPOBSA-N	300.746	0.219	70	10	DCIE	
COC(=O)CCS(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	160588696	KZEOOKMNFQYMNT-YPMHNXCESA-N	305.396	0.506	70	10	DCIE	
COCCCNS(=O)(=O)c1cccc(S(=O)(=O)F)c1	163302023	YHRFHKWRPRCCOU-UHFFFAOYSA-N	311.356	0.660	70	10	DCIE	
Cc1[nH]nc(C(=O)N[C@@H]2CCO[C@@H](C)C2)c1S(=O)(=O)Cl	235732226	DWPQJFWEWKFEGX-POYBYMJQSA-N	321.786	0.943	70	10	DCIE	
CN1C[C@@H](C(=O)Nc2ccccc2S(=O)(=O)F)CC1=O	701164893	LEPQSJNCHRPMMJ-QMMMGPOBSA-N	300.311	0.762	70	10	DCIE	
COc1cccc(O)c1C(=O)N1CC[C@H](S(=O)(=O)F)C1	2144733611	RVILYACVAABMDK-QMMMGPOBSA-N	303.311	0.915	70	10	DCIE	
COc1nn(CCc2cn[nH]c2)c(OC)c1S(=O)(=O)Cl	2149827416	OSMJSXRQQZCGNY-UHFFFAOYSA-N	320.758	0.794	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2CC[C@H](CS(C)(=O)=O)C2)n1	2172759041	YLKIQAHOXHXEDM-VIFPVBQESA-N	322.141	0.710	70	10	DCIE	
CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)c1ncccc1[B-](F)(F)F	2172780007	KNYKWOBJDQYRRU-VHSXEESVSA-N	323.125	0.384	70	10	DCIE	
CO[C@@H]1CC[C@@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)C1	2174880829	MYODATBHBYWEDK-HTQZYQBOSA-N	305.331	0.254	70	10	DCIE	
COC[C@H]1CC[C@@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C1	2181786183	GOXUVDSPTBASIW-GXSJLCMTSA-N	308.375	0.311	70	10	DCIE	
CO[C@H]1CC[C@@H]1CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2187023776	WWHSMLAGUWRKTP-SFYZADRCSA-N	322.770	0.692	70	10	DCIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@]12CCOC[C@H]1C2	2194442850	GIBNJTONAKKEMT-SKDRFNHKSA-N	306.359	0.208	70	10	DCIE	
Cc1nccn1[C@@H](C)C(=O)N1CC(CCS(=O)(=O)F)C1	2199683518	APMBUWNRMUSHBH-VIFPVBQESA-N	303.359	0.900	70	10	DCIE	
CC1(C)OCCO[C@@H]1C(=O)N1CC(CCS(=O)(=O)F)C1	2199688109	KPRLBDZTNPBDQU-SNVBAGLBSA-N	309.359	0.328	70	10	DCIE	
CS(=O)(=O)N1CC[C@@H](Oc2nc([B-](F)(F)F)cs2)C1	2257808923	IPERSVPLNXVDOL-ZCFIWIBFSA-N	315.127	0.610	70	10	DCIE	
O=C([C@@H]1COC2(CCC2)CO1)N1CC(CS(=O)(=O)F)C1	2364176091	PYXBGQSQLOTDQB-JTQLQIEISA-N	307.343	0.082	70	10	DCIE	
O=C([C@H]1COC2(CCC2)CO1)N1CC(CS(=O)(=O)F)C1	2364176092	PYXBGQSQLOTDQB-SNVBAGLBSA-N	307.343	0.082	70	10	DCIE	
CC(C)[C@H](O)C(C)(C)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2365776920	SEAWNZNCVNSMHH-UWVGGRQHSA-N	310.391	0.434	70	10	DCIE	
CCCNc1nnc(CN2CCOC[C@@H]2C(=O)NCC)s1	160377600	YZQOADOGZIMMBF-SNVBAGLBSA-N	313.427	0.697	70	10	DCIE	
CCc1ncc(S(=O)(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)[nH]1	160532623	XFCVMKKQRJCFIY-NXEZZACHSA-N	312.395	0.261	70	10	DCIE	
Nc1cccc(Cl)c1S(=O)(=O)NCCNC(=O)C1CC1	160646366	NHESHYTVLGAPGH-UHFFFAOYSA-N	317.798	0.727	70	10	DCIE	
CCOC(=O)C[C@@H](OS(=O)(=O)C(F)(F)F)C(=O)OCC	196356069	SWBSVDHJXGLFHH-ZCFIWIBFSA-N	322.257	0.738	70	10	DCIE	
COC(=O)CNC(=O)Nc1ccc2c(c1)C(=O)N(C(C)C)C2=O	217279384	YTGZOZKVZPHUHZ-UHFFFAOYSA-N	319.317	0.986	70	10	DCIE	
COC1(C)CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1	382597972	JKZNELICPWMJDJ-UHFFFAOYSA-N	323.367	0.754	70	10	DCIE	
CO[C@H]1CC[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)cn1C	724418623	GTZIBBDJABCGQO-SCZZXKLOSA-N	306.771	0.860	70	10	DCIE	
O=S(=O)(Cl)C[C@]12C[C@H]1CO[C@]21CCS(=O)(=O)C1	958532254	DZOZCYJUKBHQTO-YIZRAAEISA-N	300.785	0.149	70	10	DCIE	
C[C@@H]1OCC[C@@]1(C)NC(=O)c1cncc(OS(=O)(=O)F)c1	1887514080	KWSQMIWOOPUGOQ-QPUJVOFHSA-N	318.326	0.972	70	10	DCIE	
Cc1cnc(S(=O)(=O)CCS(=O)(=O)Cl)c(F)c1	1921504513	LGNWUENGHZZMEJ-UHFFFAOYSA-N	301.748	0.871	70	10	DCIE	
O=C(c1ccc([N+](=O)[O-])s1)N1CCN(S(=O)(=O)F)CC1	1974001450	UEQJOSDXBMAAQS-UHFFFAOYSA-N	323.327	0.628	70	10	DCIE	
CC(C)c1nc(C(=O)N2CCC(S(=O)(=O)F)CC2)n[nH]1	2144733764	TVWCKAKICRBBNS-UHFFFAOYSA-N	304.347	0.832	70	10	DCIE	
O=C([C@@H]1CCc2c[nH]nc2C1)N1CC[C@H](S(=O)(=O)F)C1	2144734164	XXHHEOBOJAQHQF-SCZZXKLOSA-N	301.343	0.415	70	10	DCIE	
Cc1nc(N2C[C@@H]3OCCN(C)[C@@H]3C2)ncc1[B-](F)(F)F	2172757626	DQORJAPHXYGXLW-MNOVXSKESA-N	301.101	0.359	70	10	DCIE	
CCOCc1nc(S(=O)(=O)Cl)cn1C[C@H]1CNC(=O)O1	2182344354	PDWRIHIOKCTOKL-SSDOTTSWSA-N	323.758	0.456	70	10	DCIE	
CN1CC(COc2ccc(S(=O)(=O)F)cc2C(=O)O)C1	2199528650	CZIHFUFPBQZLSC-UHFFFAOYSA-N	303.311	0.983	70	10	DCIE	
COCC1(C(=O)NC2CN(S(=O)(=O)F)C2)CCCCC1	2284149712	CTFJKZBXEITVQW-UHFFFAOYSA-N	308.375	0.598	70	10	DCIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1C[C@H]2COC[C@H](C2)C1	2284151823	UUIACRSVWHWSAL-ILWJIGKKSA-N	306.359	0.064	70	10	DCIE	
O=c1[nH]c(=O)n(CC[C@H]2CCCO2)cc1S(=O)(=O)Cl	114891599	LDCLPWCBUVJVEW-SSDOTTSWSA-N	308.743	0.033	70	10	DCIE	
CS(=O)(=O)c1ccc(O)c(NS(=O)(=O)N2CCCC2)c1	160329478	UOUJYTPDTWZAPG-UHFFFAOYSA-N	320.392	0.548	70	10	DCIE	
COc1cc(/C=C/C(=O)N[C@@H]2CCC(=O)NC2=O)ccc1F	160922410	FOPJHFQNIYPJEK-ZXCPCRMDSA-N	306.293	0.769	70	10	DCIE	
O=C(NCCOCCO)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	217287025	KTVIZSOBHAQXOZ-CQSZACIVSA-N	321.377	0.096	70	10	DCIE	
CCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1571747266	QKPGHZUAWLNONC-HTQZYQBOSA-N	319.358	0.706	70	10	DCIE	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cl)[C@H](C#N)C1	1953573296	ISHYMAGDOQCTRU-MRVPVSSYSA-N	309.775	0.915	70	10	DCIE	
O=C(c1ncccc1Br)N1CC(S(=O)(=O)F)C1	1968216455	ZLNWVRCEZHYBGK-UHFFFAOYSA-N	323.143	0.968	70	10	DCIE	
O=C(N1CCC[C@H](S(=O)(=O)F)C1)[C@]12COC[C@H]1C2(F)F	2161913278	MUFIYSRSABFCMW-XKSSXDPKSA-N	313.297	0.558	70	10	DCIE	
C#C[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	2169178844	DMPPCADOJCZNIL-JTQLQIEISA-N	317.363	0.989	70	10	DCIE	
COc1nc(N(C)Cc2nnc(C)o2)ncc1[B-](F)(F)F	2172766176	CBBMMBOLSYMEBY-UHFFFAOYSA-N	302.045	0.867	70	10	DCIE	
CCc1nnc(Cn2cc(S(=O)(=O)Cl)nc2COC)o1	2182344413	PVBRJQPNVYKHBC-UHFFFAOYSA-N	320.758	0.951	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1c(O)cccc1F	2287077823	XZTLAFKEPKZOJG-SSDOTTSWSA-N	306.290	0.550	70	10	DCIE	
COCCOCCNS(=O)(=O)c1cc(N)cc(C)c1F	159507427	TYZRPWFAEAWWCA-UHFFFAOYSA-N	306.359	0.658	70	10	DCIE	
CN(C(=O)CN1C(=O)NC(C)(C)C1=O)C1C[C@@H]2CC[C@H](C1)N2	161471908	DNNTWVNUPXCTQI-ZACCUICWSA-N	308.382	0.058	70	10	DCIE	
CN1CCC[C@@H]1CCn1cc(S(=O)(=O)Cl)c(O)nc1=O	692666955	OEVZKARQEKOGGT-MRVPVSSYSA-N	321.786	0.361	70	10	DCIE	
CC1(C)COC(=O)[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1634948876	WBRYSYGLNGSNCQ-MRVPVSSYSA-N	304.299	0.354	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH]1	1923155874	GEEBEJGWZAPDGJ-IWSPIJDZSA-N	301.343	0.875	70	10	DCIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1ccc(F)c(F)c1	1974059180	KGZMRRXXCYGHRT-UHFFFAOYSA-N	308.281	0.841	70	10	DCIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)C2CCOCC2)C1	2134972515	FACYAOZADNFXKI-UHFFFAOYSA-N	315.388	0.116	70	10	DCIE	
COCCn1c(CC2CC(OC)C2)nnc1S(=O)(=O)Cl	2167618577	RZWYJFHUBIVXFD-UHFFFAOYSA-N	323.802	0.820	70	10	DCIE	
CN(C[C@@H]1CO[C@@H]2COC[C@@H]21)c1ncc([B-](F)(F)F)cn1	2172784680	FTJKEWUOXHLWOC-FBIMIBRVSA-N	302.085	0.629	70	10	DCIE	
C[C@@H]1CCC[C@@H](S(=O)(=O)NC2CN(S(=O)(=O)F)C2)C1	2268805785	NQXVARYZDPPHKB-PSASIEDQSA-N	314.404	0.383	70	10	DCIE	
CCc1cc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)n(C)n1	2287076458	SKYNFKAXZNTWPA-VIFPVBQESA-N	304.347	0.001	70	10	DCIE	
CC(C)N1C[C@@H](NC(=O)Nc2ccccc2C(N)=O)CC1=O	217288769	YLXIFXFTVMQFCH-JTQLQIEISA-N	304.350	0.916	70	10	DCIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21	1123916604	WHBIPSRFTZQGIS-WHGOUJPWSA-N	302.327	0.658	70	10	DCIE	
Cc1ncc([B-](F)(F)F)c(N2C[C@H]3C[C@H]2CS3(=O)=O)n1	2116137171	UTXYBFMWQNCRJU-JGVFFNPUSA-N	306.098	0.215	70	10	DCIE	
COc1c(F)cc(C(=O)NC[C@H]2C[C@H]2C)cc1S(N)(=O)=O	160323193	YKCAZCHQVHGQOD-VXNVDRBHSA-N	316.354	0.868	70	10	DCIE	
C[C@@H]1CC[C@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)S1	1923174018	MIQUCLGMQVNIJA-RNFRBKRXSA-N	307.372	0.723	70	10	DCIE	
CC[C@@H](C(=O)NCC1CN(S(=O)(=O)F)C1)C(C)(F)F	1974055792	WFZPPYCKIVHOMS-QMMMGPOBSA-N	302.318	0.930	70	10	DCIE	
CNS(=O)(=O)c1ccc(Sc2nnc(C)n2C)cc1N	159680227	ZXXOPEREVCOVHA-UHFFFAOYSA-N	313.408	0.765	70	10	DCIE	
Cc1nc(N2CC(N(C)C3COC3)C2)ccc1[B-](F)(F)F	2173110984	CQKVUBSZETXUIC-UHFFFAOYSA-N	300.113	0.964	70	10	DCIE	
CC1(C)CC(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2271508516	ZPLYXZXPQLGWOT-MRVPVSSYSA-N	314.404	0.383	70	10	DCIE	
NC(=O)COCCOc1ccc(F)cc1S(=O)(=O)Cl	2232232510	JFKSTTQAYPCSKJ-UHFFFAOYSA-N	311.718	0.634	70	10	DCIE	
O=C(CC1CCSCC1)N[C@H]1CCN(S(=O)(=O)F)C1	2271491809	LEEHWHPIENRFNB-JTQLQIEISA-N	310.416	0.925	70	10	DCIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12	2287070080	DMDNHAFUVPYBDQ-HRRXFJGFSA-N	302.371	0.683	70	10	DCIE	
O=S1(=O)CC[C@H](S(=O)(=O)N2CC[C@@H]([B-](F)(F)F)C2)C1	2319679401	GLJNAHHOKZUJMR-SFYZADRCSA-N	320.143	0.427	70	10	DCIE	
C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cnc2c(c1)ncn2C	159704802	WSDLXZVWHQWIBI-VHSXEESVSA-N	301.350	0.694	70	10	DCIE	
CCCNC(=O)[C@@H]1COCCN1c1nc(NC)ncc1Cl	160565209	RZPYPUBPXZJROH-JTQLQIEISA-N	313.789	0.903	70	10	DCIE	
CCOC(=O)CNC(=O)Nc1ccc(NS(C)(=O)=O)cc1	217282952	YCXNAPPPZXOHBW-UHFFFAOYSA-N	315.351	0.743	70	10	DCIE	
COC[C@H](C)NS(=O)(=O)c1c(C)nn(CCCO)c1C	217296630	NEAGUBSQADNVKY-VIFPVBQESA-N	305.400	0.196	70	10	DCIE	
CCCNCc1cc(S(=O)(=O)NCCCN(C)C)c[nH]1	217489503	UJYUALOQMGXCLC-UHFFFAOYSA-N	302.444	0.744	70	10	DCIE	
CCCN(CC)CCNS(=O)(=O)c1c(N)nn(C)c1C	218276443	TVCYPIJGFFFHOM-UHFFFAOYSA-N	303.432	0.321	70	10	DCIE	
Cc1c(S(=O)(=O)Cl)c([N+](=O)[O-])nn1[C@H]1CCN(C)C1=O	312222901	CKSATRNEGLUTKC-LURJTMIESA-N	322.730	0.430	70	10	DCIE	
COCCn1c([C@@H]2C[C@@H](C)CO2)nnc1S(=O)(=O)Cl	718561105	VOBNUPSAUROQIM-SFYZADRCSA-N	309.775	0.950	70	10	DCIE	
C=CCNC[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1319245478	MXFRNXGBJKWSTC-SECBINFHSA-N	303.359	0.814	70	10	DCIE	
Cn1[nH]cnc1=NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1535067523	SYVFEIWJJHTFBZ-UHFFFAOYSA-N	318.717	0.801	70	10	DCIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2cnc(Cl)cn2)[nH]1	1923151910	GNYPWQNQXPALQH-UHFFFAOYSA-N	319.705	0.196	70	10	DCIE	
CCc1c(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)nnn1C	1923533161	IYJFVPSQHYMUAZ-MRVPVSSYSA-N	304.347	0.281	70	10	DCIE	
C[C@]1(C(F)F)C[C@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	1974056004	ZGDHOBGILBLTAP-XVKPBYJWSA-N	300.302	0.540	70	10	DCIE	
Cc1ncc(S(=O)(=O)N2CC(S(=O)(=O)F)C2)s1	2022197679	GXTULAWXYDHYAQ-UHFFFAOYSA-N	300.358	0.124	70	10	DCIE	
CC(C)(C)c1nnc(S(=O)(=O)CCS(=O)(=O)Cl)o1	2047042499	CXIVELNIBRJRNN-UHFFFAOYSA-N	316.788	0.709	70	10	DCIE	
O=S(=O)(F)c1ccc(NS(=O)(=O)c2cnc[nH]2)cn1	2110215434	LFMVUCHPGYHIFR-UHFFFAOYSA-N	306.300	0.264	70	10	DCIE	
C[C@H](CCS(C)(=O)=O)N(C)c1ncncc1[B-](F)(F)F	2116140745	QQKRRIGTOMVGOQ-MRVPVSSYSA-N	310.130	0.790	70	10	DCIE	
O=c1nc(O)c(S(=O)(=O)Cl)cn1C[C@@H]1CC[C@H]2C[C@@H]21	2134644997	PHCBODQJTOPAFO-FXQIFTODSA-N	304.755	0.923	70	10	DCIE	
COc1nn(CC(=O)N2CCC2)c(OC)c1S(=O)(=O)Cl	2149822355	LBQBCAUKDKYBDA-UHFFFAOYSA-N	323.758	0.060	70	10	DCIE	
COCCn1c(-c2nccnc2O)nnc1S(=O)(=O)Cl	2167134548	WCZBBPRFRLEVNF-UHFFFAOYSA-N	319.730	0.015	70	10	DCIE	
COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)F)cc1	2191429415	YOVPLFKZQMGJSG-SECBINFHSA-N	305.327	0.875	70	10	DCIE	
O=S(=O)(N[C@H]1CCN(S(=O)(=O)F)C1)C1CCCC1	2258991663	GRIAZANKCFBICS-QMMMGPOBSA-N	300.377	0.137	70	10	DCIE	
O=C(C[C@H]1C[C@H]1C(F)(F)F)NC1CN(S(=O)(=O)F)C1	2268795881	JIQCAUSUQNGCIA-IYSWYEEDSA-N	304.265	0.590	70	10	DCIE	
COc1ccc([B-](F)(F)F)c(N2C[C@H](OC)[C@@H](OC)C2)n1	2280519075	UZGKGNTTXGVCRE-UWVGGRQHSA-N	305.085	0.995	70	10	DCIE	
O=C([C@@H]1CC[C@@H]2C[C@H]1CO2)N1CCN(S(=O)(=O)F)CC1	2359092096	JNKITDPKYRCGHZ-HBNTYKKESA-N	306.359	0.160	70	10	DCIE