smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOC(=O)CCS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2268805393	JVMOVJDLDFEQQE-UHFFFAOYSA-N	318.348	-1.243	70	10	DAIE	
O=C1C[C@@H](C(=O)N2CCC(S(=O)(=O)F)CC2)NC(=O)N1	2144732844	JXFDUYNGGLMPAJ-ZETCQYMHSA-N	307.303	-1.125	70	10	DAIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCCS1(=O)=O	2271503534	SNOSWZXFDQOJEL-HTQZYQBOSA-N	314.360	-1.032	70	10	DAIE	
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC(S(=O)(=O)F)C1	1968217088	HFRDQLLIROGODB-MRVPVSSYSA-N	314.360	-1.080	70	10	DAIE	
O=S(=O)(F)N1CCN(S(=O)(=O)N2CCOCC2)CC1	2107402973	QZFCJCQXCKCOFW-UHFFFAOYSA-N	317.364	-1.605	70	10	DAIE	
O=C(CN1C(=O)CNC1=O)NCC1CN(S(=O)(=O)F)C1	1974060698	WHFGZARELWZKSF-UHFFFAOYSA-N	308.291	-2.200	70	10	DAIE	
O=S(=O)(F)C1CN(S(=O)(=O)c2cnc(O)nc2O)C1	2134975826	SELJPTAYJYKKLT-UHFFFAOYSA-N	313.288	-1.440	70	10	DAIE	
CCCNC(=O)[C@H]1COCCN1S(=O)(=O)N(C)CCCN	159488520	FZGGTQVAEXSXSN-LLVKDONJSA-N	322.431	-1.261	70	10	DAIE	
O=S(=O)(F)N1CC(NS(=O)(=O)N2CCC[C@@H](O)C2)C1	2268780311	NDKSKPPRAINIDR-MRVPVSSYSA-N	317.364	-1.824	70	10	DAIE	
CCNC(=O)[C@H]1COCCN1CC(=O)N(C)CCC(N)=S	159815105	APQILBMFYIGJIB-SNVBAGLBSA-N	316.427	-1.042	70	10	DAIE	
NC(=O)[C@@H]1CNCCN1c1cnn(CCO)c(=O)c1Cl	159631220	FBDYAEQNLBZIPI-QMMMGPOBSA-N	301.734	-1.848	70	10	DAIE	
CS(=O)(=O)C1(C(=O)NCC2CN(S(=O)(=O)F)C2)CC1	2111588844	CEJUXWHVAXNFPY-UHFFFAOYSA-N	314.360	-1.174	70	10	DAIE	
CS(=O)(=O)C1(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CC1	2271502579	JTFASAVKTWLWAV-SSDOTTSWSA-N	314.360	-1.032	70	10	DAIE	
C[C@H](C(=O)N1CCN(S(=O)(=O)F)CC1)S(C)(=O)=O	1974000892	ISVDVLNCTFHCON-SSDOTTSWSA-N	302.349	-1.222	70	10	DAIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)N2CC[C@H](O)C2)C1	1914065939	FAQACNACDJPSEV-JGVFFNPUSA-N	302.349	-1.329	70	10	DAIE	
O=C(Cn1cccnc1=O)N1CCN(S(=O)(=O)F)CC1	1974001374	SAYCHWPFAPOGNL-UHFFFAOYSA-N	304.303	-1.398	70	10	DAIE	
CO[C@@]1(CNS(=O)(=O)CCN2CCNCC2)CCOC1	160676819	FPEXQGGJMXQYFV-GFCCVEGCSA-N	307.416	-1.384	70	10	DAIE	
O=S(=O)(F)[C@H]1CCCN(S(=O)(=O)N2CC(O)C2)C1	1914065996	FNAUVGSKBALITB-QMMMGPOBSA-N	302.349	-1.329	70	10	DAIE	
CCOC(=O)NS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271515394	JBIZKGYYJDZVAW-ZCFIWIBFSA-N	319.336	-1.145	70	10	DAIE	
O=C([C@@H]1CCCS1(=O)=O)N1CCN(S(=O)(=O)F)CC1	1974015870	YSMYSSZROZAELT-QMMMGPOBSA-N	314.360	-1.078	70	10	DAIE	
CCOC(=O)c1cn[nH]c1S(=O)(=O)NCCNC(N)=O	160786435	NZDUKJJZDNPPJQ-UHFFFAOYSA-N	305.316	-1.467	70	10	DAIE	
O=S1(=O)CC[C@H](NS(=O)(=O)N2CCCC[C@@H]2CO)C1	217982670	SRXRDPNFHWSPHB-VHSXEESVSA-N	312.413	-1.145	70	10	DAIE	
COC[C@@H](N)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	159453308	IWUHRHCRFSUSAW-LLVKDONJSA-N	301.368	-1.034	70	10	DAIE	
COC(=O)NS(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2112717808	IDNRDKPETFKBSK-UHFFFAOYSA-N	319.336	-1.145	70	10	DAIE	
Cn1cc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)cn1	2271517732	ZMIKDMZLBVADMU-SSDOTTSWSA-N	312.348	-1.013	70	10	DAIE	
CN(C)C(=O)CCn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	215918985	XARBCUJIHYKRHT-UHFFFAOYSA-N	309.731	-1.058	70	10	DAIE	
C[C@H](C(=O)NCC1CN(S(=O)(=O)F)C1)S(C)(=O)=O	2045938434	BWJYGKHFQJGEKN-ZCFIWIBFSA-N	302.349	-1.318	70	10	DAIE	
CC(C)[C@H](NC(N)=O)C(=O)NCC1CN(S(=O)(=O)F)C1	2164432739	ZITRHNDXGJEPHP-QMMMGPOBSA-N	310.351	-1.058	70	10	DAIE	
O=C([C@H]1CCCN1[C@H]1CS(=O)(=O)C[C@@H]1O)N1CCNCC1	217933051	SUARNVGZXBXHGY-WOPDTQHZSA-N	317.411	-1.960	70	10	DAIE	
CN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)CC(N)=O	1266327126	YVUIXFTXEWLQQG-UHFFFAOYSA-N	306.319	-1.180	70	10	DAIE	
CS(=O)(=O)CS(=O)(=O)N1CC(CS(=O)(=O)F)C1	2022194301	FSHNCOMDWVJMCA-UHFFFAOYSA-N	309.362	-1.451	70	10	DAIE	
O=S(=O)(F)N1CC[C@H](NS(=O)(=O)N2CCOCC2)C1	2271514906	HPMLDRLEXGROMH-QMMMGPOBSA-N	317.364	-1.558	70	10	DAIE	
O=C(Cn1cccnc1=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287068803	JYAQUBKRQDQLHZ-QMMMGPOBSA-N	304.303	-1.352	70	10	DAIE	
C[C@H](C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F)S(C)(=O)=O	1923167537	OCJGYZPELJNOON-RXMQYKEDSA-N	313.332	-1.128	70	10	DAIE	
CC(C)[C@@H](NC(N)=O)C(=O)NCC1CN(S(=O)(=O)F)C1	2164432738	ZITRHNDXGJEPHP-MRVPVSSYSA-N	310.351	-1.058	70	10	DAIE	
COC(=O)[C@H](C)S(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271511200	BJHABWYWEJDHRY-BQBZGAKWSA-N	318.348	-1.244	70	10	DAIE	
NC(=O)[C@@]1(O)CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1349233109	BLWRMZPWLVCTPA-SNVBAGLBSA-N	305.287	-1.265	70	10	DAIE	
C#CCNC[C@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1667888426	NPLUOJWQFDNRBY-QMMMGPOBSA-N	303.315	-1.014	70	10	DAIE	
O=C(Cn1cccnc1=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287068802	JYAQUBKRQDQLHZ-MRVPVSSYSA-N	304.303	-1.352	70	10	DAIE	
Cn1cc(C(=O)N2CC(S(=O)(=O)F)C2)c(=O)n(C)c1=O	1968215267	CKRQEBMMBITOTP-UHFFFAOYSA-N	305.287	-1.792	70	10	DAIE	
Cn1nncc1S(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2107410767	FNLDMTDITHHUMA-UHFFFAOYSA-N	313.336	-1.664	70	10	DAIE	
Cn1cc(S(=O)(=O)NCC2CN(S(=O)(=O)F)C2)cn1	2108153020	FTPYGRCUWFVKBK-UHFFFAOYSA-N	312.348	-1.156	70	10	DAIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCS1(=O)=O	2258978403	KVCNJYXAOJBQMV-NKWVEPMBSA-N	300.333	-1.422	70	10	DAIE	
O=c1c(Cl)c(N2CC(N3CCNCC3)C2)cnn1CCO	159696544	RWTWHSBJUMDCEV-UHFFFAOYSA-N	313.789	-1.017	70	10	DAIE	
O=C1C[C@@H](C(=O)N2CCC[C@H](S(=O)(=O)F)C2)NC(=O)N1	2144733297	OPDJKECOLPUEIX-BQBZGAKWSA-N	307.303	-1.125	70	10	DAIE	
N#CCN1CC(O)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1733505835	KHUMQWLOUUCTJN-UHFFFAOYSA-N	316.314	-1.027	70	10	DAIE	
CNC(=O)[C@H]1COCCN1S(=O)(=O)c1sc(=O)[nH]c1C	160304011	LNSYJTMENVWDTN-SSDOTTSWSA-N	321.380	-1.120	70	10	DAIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1Cc2nncn2C1	2167749634	SOPDFKGCZLKADU-QMMMGPOBSA-N	303.319	-1.287	70	10	DAIE	
O=C(Cn1nc(O)ccc1=O)NC1CN(S(=O)(=O)F)C1	2284151014	NQFLMZSATOFYRO-UHFFFAOYSA-N	306.275	-2.036	70	10	DAIE	
NC(=O)CSCCC(=O)NCC1CN(S(=O)(=O)F)C1	2108151184	OPLVFVKSNFLJIO-UHFFFAOYSA-N	313.376	-1.143	70	10	DAIE	
CCn1nncc1S(=O)(=O)NC1CN(S(=O)(=O)F)C1	2268804953	GLWUBCOLTBPPPY-UHFFFAOYSA-N	313.336	-1.525	70	10	DAIE	
O=S1(=O)CC[C@@H](NS(=O)(=O)N2CCCC[C@@H]2CO)C1	217982592	SRXRDPNFHWSPHB-NXEZZACHSA-N	312.413	-1.145	70	10	DAIE	
CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1sc(=O)[nH]c1C	160304161	LNSYJTMENVWDTN-ZETCQYMHSA-N	321.380	-1.120	70	10	DAIE	
O=S1(=O)CC[C@@H](NS(=O)(=O)N2CCC(CO)CC2)C1	217988725	YCLSKTTVAGWANA-SNVBAGLBSA-N	312.413	-1.288	70	10	DAIE	
O=S(=O)(F)CC1CN(S(=O)(=O)N2CCC[C@H](O)C2)C1	2134976135	VVBKGSKKYBKDPF-VIFPVBQESA-N	316.376	-1.081	70	10	DAIE	
COC1CN(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)C1	2256726520	KCFOTWUZILTLHL-UHFFFAOYSA-N	303.337	-1.950	70	10	DAIE	
COC[C@H](N)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	159453181	IWUHRHCRFSUSAW-NSHDSACASA-N	301.368	-1.034	70	10	DAIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1Cc2nncn2C1	2287070362	UBLPRVKHPOKSIR-SFYZADRCSA-N	303.319	-1.145	70	10	DAIE	
CCNC(=O)[C@H]1COCCN1C(=O)[C@H](N)CCS(C)(=O)=O	159531719	PAWQVBSCTJEDPO-NXEZZACHSA-N	321.399	-1.888	70	10	DAIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)c2nc[nH]n2)n1	2122570426	SMBKNEQTYDIGTI-UHFFFAOYSA-N	310.292	-1.003	70	10	DAIE	
CNS(=O)(=O)c1ccc(N(CC(N)=O)CC(N)=O)cc1N	159618782	MWFHFYOQOMNJLQ-UHFFFAOYSA-N	315.355	-2.046	70	10	DAIE	
CNC(=O)[C@H]1COCCN1C(=O)[C@@H](N)CCS(C)(=O)=O	159564250	BTVSQZOVJQPSDB-DTWKUNHWSA-N	307.372	-2.278	70	10	DAIE	
Cn1ncc(S(=O)(=O)N2CCN(S(=O)(=O)F)CC2)n1	2107412639	RPYMWVJNFGMJIR-UHFFFAOYSA-N	313.336	-1.664	70	10	DAIE	
O=C1CC(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2259009566	OEWVVQSAFRGEFS-ZCFIWIBFSA-N	300.333	-1.074	70	10	DAIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1CN2CCN1CC2	2287073090	QUGOIDPAVCMSQR-VHSXEESVSA-N	306.363	-1.609	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CCCS1(=O)=O	2256745095	FVNRFXQWDSTZFE-SSDOTTSWSA-N	300.333	-1.422	70	10	DAIE	
CS(=O)(=O)NCC(=O)N1CCC[C@@H](S(=O)(=O)F)C1	2028131589	VSFWWKHAVUXUFF-SSDOTTSWSA-N	302.349	-1.174	70	10	DAIE	
CC1(C(=O)NCC2CN(S(=O)(=O)F)C2)CS(=O)(=O)C1	1974055996	ZDUWOZTZFXNACI-UHFFFAOYSA-N	314.360	-1.317	70	10	DAIE	
CN1CCN(C)[C@H](C(=O)NCC2CN(S(=O)(=O)F)C2)C1	2164432067	UBQUWWJPBGHEHY-JTQLQIEISA-N	308.379	-1.506	70	10	DAIE	
CCS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)F)CC1	1974000771	GPOZXIWPFUDQRQ-UHFFFAOYSA-N	302.349	-1.220	70	10	DAIE	
CN1CCOC[C@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2155749037	OUJYRQHDSHDFCJ-ZETCQYMHSA-N	306.319	-1.231	70	10	DAIE	
O=S(=O)(F)N1CCC(NS(=O)(=O)N2CC(O)C2)CC1	2112717548	GDHJGAFIPLBGQX-UHFFFAOYSA-N	317.364	-1.824	70	10	DAIE	
CS(=O)(=O)CS(=O)(=O)N1CC(CCS(=O)(=O)F)C1	2078989848	BHXVPQOVUJVNOW-UHFFFAOYSA-N	323.389	-1.061	70	10	DAIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)N2CC[C@H](O)C2)C1	1914065941	FAQACNACDJPSEV-YUMQZZPRSA-N	302.349	-1.329	70	10	DAIE	
O=C(C[C@H]1CS(=O)(=O)CCN1)NCCNC(=O)C1CC1	160776964	ZPZAKIQTQDWJGR-JTQLQIEISA-N	303.384	-1.595	70	10	DAIE	
O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)F)CC2)NC(=O)N1	1974000811	HGWVLVQUKIDPBE-LURJTMIESA-N	308.291	-2.057	70	10	DAIE	
O=C([C@H]1Cc2nncn2C1)N1CCN(S(=O)(=O)F)CC1	1974015918	ZKKSMRHXBRGRRZ-QMMMGPOBSA-N	303.319	-1.191	70	10	DAIE	
CCOC(=O)CS(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2108153583	JRNJOPYAOUEOCY-UHFFFAOYSA-N	318.348	-1.385	70	10	DAIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)N2CC[C@H](O)C2)C1	2134974904	LKCDNLHMBQXEAS-VIFPVBQESA-N	316.376	-1.081	70	10	DAIE	
COC(=O)NS(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2045938171	ZVDFAZHLPXBVRQ-UHFFFAOYSA-N	305.309	-1.677	70	10	DAIE	
O=S(=O)(F)N1CC(NS(=O)(=O)N2CC[C@@H](O)C2)C1	2256747682	NWTDCNPZFVXELT-SSDOTTSWSA-N	303.337	-2.214	70	10	DAIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C2CS(=O)(=O)C2)[nH]1	1923176458	ARXVLYVNIRJWBE-UHFFFAOYSA-N	311.316	-1.517	70	10	DAIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)N2CC[C@@H](O)C2)C1	2134974903	LKCDNLHMBQXEAS-SECBINFHSA-N	316.376	-1.081	70	10	DAIE	
CCNC(=O)[C@@H]1COCCN1C(=O)[C@H](N)CCS(C)(=O)=O	159531575	PAWQVBSCTJEDPO-ZJUUUORDSA-N	321.399	-1.888	70	10	DAIE	
CN(CC(=O)N1CCN(S(C)(=O)=O)CC1)[C@@H](CN)C1CC1	160159048	GJZUZGFTMXLCBD-LBPRGKRZSA-N	318.443	-1.241	70	10	DAIE	
NC(=O)NC(=O)Cn1cc(S(=O)(=O)Cl)c([N+](=O)[O-])n1	215917207	DCMVDQZSXMUQPG-UHFFFAOYSA-N	311.663	-1.086	70	10	DAIE	
Cc1nc(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)cn1C	2268774532	XCHPZGAMLWHTNS-UHFFFAOYSA-N	312.348	-1.095	70	10	DAIE	
O=c1c(Cl)c(N2CCN(C3CNC3)CC2)cnn1CCO	159694829	RSGJSOYJTIIHNJ-UHFFFAOYSA-N	313.789	-1.017	70	10	DAIE	
CN1N=C(C(=O)NCC2CN(S(=O)(=O)F)C2)CCC1=O	1974060968	ZHVPJWIFKVHWQX-UHFFFAOYSA-N	306.319	-1.143	70	10	DAIE	
CCNC(=O)[C@H]1COCCN1S(=O)(=O)c1c[nH]ccc1=O	160302429	IQKHIONEFZPTHU-SECBINFHSA-N	315.351	-1.100	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CCS(=O)(=O)C1	2256749619	QPCCBXKXYCIWSL-LURJTMIESA-N	300.333	-1.564	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cn2cnnc2cn1	2284149598	DUSSJFFBMWDCGA-UHFFFAOYSA-N	300.275	-1.247	70	10	DAIE	
C[C@H](O)CN[C@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1507240670	RJOJPYRDUZKQEK-YUMQZZPRSA-N	323.346	-1.266	70	10	DAIE	
Cc1[nH]nc(CN)c1S(=O)(=O)NCCN1CCOCC1	217296397	XEGPLSWVYLGGQB-UHFFFAOYSA-N	303.388	-1.213	70	10	DAIE	
O=C(Cn1ccc(O)nc1=O)N1CC(CS(=O)(=O)F)C1	2199682730	OCWUMNCRLHJCLX-UHFFFAOYSA-N	305.287	-1.293	70	10	DAIE	
CC(C)NC(=O)[C@H]1COCCN1S(=O)(=O)N(C)CCCN	159490365	KRBTZKVSHWGFLR-LLVKDONJSA-N	322.431	-1.263	70	10	DAIE	
CS(=O)(=O)CCS(=O)(=O)NCCS(=O)(=O)Cl	124142876	DYVPSQPFLPMTJE-UHFFFAOYSA-N	313.806	-1.481	70	10	DAIE	
COCCc1c(C(=O)OC)nnn1[C@@H]1CS(=O)(=O)C[C@H]1O	159856007	HKCSEFIIBBYOIX-RKDXNWHRSA-N	319.339	-1.416	70	10	DAIE	
COC(=O)CCS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271502299	WUWSTVICSMOHJN-SSDOTTSWSA-N	318.348	-1.243	70	10	DAIE	
O=S(=O)(F)CC1CN(S(=O)(=O)C2CS(=O)(=O)C2)C1	2078997411	MEHQVWXVEDTWMZ-UHFFFAOYSA-N	321.373	-1.656	70	10	DAIE	
O=C([C@@H]1CCS1(=O)=O)N1CCN(S(=O)(=O)F)CC1	1974015581	VPBJJMKSKPYHLV-ZETCQYMHSA-N	300.333	-1.468	70	10	DAIE	
CN(C[C@H](O)CNCCO)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1332574686	GSWLTSJQODBWAA-MRVPVSSYSA-N	323.346	-1.312	70	10	DAIE	
O=S1(=O)CC(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)C1	1917921835	JXYXYAJNAYCVBH-ZCFIWIBFSA-N	321.373	-1.513	70	10	DAIE	
CCOC(=O)NS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2256722943	UVTWZQWZQBSOLU-UHFFFAOYSA-N	305.309	-1.535	70	10	DAIE	
CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC(S(=O)(=O)F)C1	2236147496	QHCRYUVJKVMRCL-QMMMGPOBSA-N	309.319	-1.733	70	10	DAIE	
CC(=O)NC[C@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1738397858	SLUNRKPKFJUJNP-ZETCQYMHSA-N	307.303	-1.100	70	10	DAIE	
COCCc1c(C(=O)OC)nnn1[C@@H]1CS(=O)(=O)C[C@@H]1O	159855816	HKCSEFIIBBYOIX-BDAKNGLRSA-N	319.339	-1.416	70	10	DAIE	
CNC(=O)[C@@H]1COCCN1C(=O)C[C@@H]1CS(=O)(=O)CCN1	159569469	JDWGOCFBGJWYBL-ZJUUUORDSA-N	319.383	-2.264	70	10	DAIE	
O=C(CN1C(=O)CNC1=O)N1CCC(S(=O)(=O)F)CC1	2144732231	CUBAESOQNBCPBV-UHFFFAOYSA-N	307.303	-1.172	70	10	DAIE	
CS(=O)(=O)NCC(=O)N1CCN(S(=O)(=O)F)CC1	2045268133	PQYDNXRIBRQQER-UHFFFAOYSA-N	303.337	-2.106	70	10	DAIE	
CC(=O)NC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1680181413	NYJRYSLWNUFVFI-ZETCQYMHSA-N	307.303	-1.100	70	10	DAIE	
O=c1ccccn1C[C@@H](O)CNS(=O)(=O)N1CCOCC1	218482197	CBBPPELSBIECLI-NSHDSACASA-N	317.367	-1.624	70	10	DAIE	
Cn1cc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1CO	218004285	MRCOMZPKEQAZGA-MRVPVSSYSA-N	308.381	-1.017	70	10	DAIE	
COC(=O)[C@H](C)S(=O)(=O)NC1CN(S(=O)(=O)F)C1	2256719609	AULWDLHGSMCAHW-YFKPBYRVSA-N	304.321	-1.634	70	10	DAIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCS1(=O)=O	2258978402	KVCNJYXAOJBQMV-BQBZGAKWSA-N	300.333	-1.422	70	10	DAIE	
CCNC(=O)[C@@H]1COCCN1S(=O)(=O)N1CCNCC1	160025997	MIQHEJGYJXLREK-JTQLQIEISA-N	306.388	-2.027	70	10	DAIE	
O=S(=O)(NC1CCN(S(=O)(=O)F)CC1)C1COC1	2049917211	AVPDYPSSYPIHPG-UHFFFAOYSA-N	302.349	-1.017	70	10	DAIE	
O=S(=O)(NCC(F)(F)F)NC1CN(S(=O)(=O)F)C1	2256746755	GUIADQIYAYQHGS-UHFFFAOYSA-N	315.270	-1.129	70	10	DAIE	
CNC(=O)[C@@H]1COCCN1C(=O)CNC(=O)[C@@H](N)C(C)C	159561193	WMPSNPLENPHWJE-ONGXEEELSA-N	300.359	-1.941	70	10	DAIE	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N(CCO)CCNCCO	1272258016	AWDLGJLHFGRJNJ-UHFFFAOYSA-N	323.346	-1.311	70	10	DAIE	
C[C@H](O)CN[C@@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1507240668	RJOJPYRDUZKQEK-JGVFFNPUSA-N	323.346	-1.266	70	10	DAIE	
CN1CCOC[C@@H]1C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2155749036	OUJYRQHDSHDFCJ-SSDOTTSWSA-N	306.319	-1.231	70	10	DAIE	
Cc1c(CS(=O)(=O)F)cc(N2CCNCC2)cc1B(O)O	1887579164	SLNDVWASRNLVCA-UHFFFAOYSA-N	316.163	-1.116	70	10	DAIE	
Cn1cnc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)c1	2271514958	LRXFKVAKPQNDHR-SSDOTTSWSA-N	312.348	-1.013	70	10	DAIE	
CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(=O)[nH]c1	160304923	NXXFKSQBYFGKPT-VIFPVBQESA-N	301.324	-1.490	70	10	DAIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)N2CC[C@@H](O)C2)C1	1914065940	FAQACNACDJPSEV-SFYZADRCSA-N	302.349	-1.329	70	10	DAIE	
Cn1nnnc1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	698617968	OYGYBJKNQTYFBV-UHFFFAOYSA-N	306.691	-1.552	70	10	DAIE	
CN(C[C@@H](O)CNCCO)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1332574687	GSWLTSJQODBWAA-QMMMGPOBSA-N	323.346	-1.312	70	10	DAIE	
CNC(=O)[C@@H]1COCCN1CCC(=O)N(C)CCC(N)=S	159819219	UPIFGYSDCBEKRW-JTQLQIEISA-N	316.427	-1.042	70	10	DAIE	
O=S1(=O)CC[C@@H](NS(=O)(=O)c2cnn(CCCO)c2)C1	217996719	AEBVZONCCATWFQ-SECBINFHSA-N	323.396	-1.269	70	10	DAIE	
Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)N2CC(O)C2)n1	1923155650	DEUDCSVDKVRHTD-UHFFFAOYSA-N	314.320	-1.589	70	10	DAIE	
NC(=O)[C@H]1CNCCN1c1cnn(CCO)c(=O)c1Cl	159631086	FBDYAEQNLBZIPI-MRVPVSSYSA-N	301.734	-1.848	70	10	DAIE	
COC(=O)[C@H](C)S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271511202	BJHABWYWEJDHRY-NKWVEPMBSA-N	318.348	-1.244	70	10	DAIE	
O=C(CN1C(=O)CNC1=O)N[C@H]1CCN(S(=O)(=O)F)C1	2287069589	MTOPFQYWLOTLHX-LURJTMIESA-N	308.291	-2.057	70	10	DAIE	
CCNC(=O)[C@@H]1COCCN1C(=O)C(=O)NCC(N)=S	159773410	HIZYVZDZOAFYOZ-ZETCQYMHSA-N	302.356	-2.248	70	10	DAIE	
CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCS(N)(=O)=O	160162014	IGARJLZACWGIIF-SBMIAAHKSA-N	305.400	-1.076	70	10	DAIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cc(O)nc(O)n1	2164437390	NDZBGWDAUQASSU-UHFFFAOYSA-N	306.275	-1.236	70	10	DAIE	
CS(=O)(=O)CCC(=O)N1CCN(S(=O)(=O)F)CC1	1974001005	KYKHSGZSKCJGEL-UHFFFAOYSA-N	302.349	-1.220	70	10	DAIE	
CCNC(=O)[C@H]1COCCN1C[C@H](O)CN1CCNCC1	159870119	WDCPSHBBJCPGCB-CHWSQXEVSA-N	300.403	-1.911	70	10	DAIE	
Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)F)CC2)cn1	2107402504	LCHAKOGTMGBYHB-UHFFFAOYSA-N	312.348	-1.059	70	10	DAIE	
CN1CCN(C)[C@@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C1	2163659483	SPWCQUWXJHDHRR-SNVBAGLBSA-N	308.379	-1.409	70	10	DAIE	
COC1CN(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2271507808	XCJZYTYMTWXVOV-SSDOTTSWSA-N	317.364	-1.560	70	10	DAIE	
O=C(CN1C(=O)CNC1=O)N1CCC[C@H](S(=O)(=O)F)C1	2144732317	DPCVEGBOGAMRDJ-ZETCQYMHSA-N	307.303	-1.172	70	10	DAIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CCS1(=O)=O	2045939446	JZODFKMLJAWXHH-ZETCQYMHSA-N	300.333	-1.564	70	10	DAIE	
O=C(Cn1ccc([N+](=O)[O-])n1)NC1CN(S(=O)(=O)F)C1	2284151846	VDGDBRLRLZGMAJ-UHFFFAOYSA-N	307.263	-1.194	70	10	DAIE	
Cn1cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1CO	218004372	MRCOMZPKEQAZGA-QMMMGPOBSA-N	308.381	-1.017	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CCCS1(=O)=O	2256745096	FVNRFXQWDSTZFE-ZETCQYMHSA-N	300.333	-1.422	70	10	DAIE	
CN(CC(=O)NC[C@H](O)Cn1ccccc1=O)S(C)(=O)=O	218432187	HKPGGRSUFNAKRH-JTQLQIEISA-N	317.367	-1.783	70	10	DAIE	
N#CCN[C@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1717777565	IDVNZYQFZWZZOA-ZETCQYMHSA-N	304.303	-1.123	70	10	DAIE	
O=C(Cn1nc(O)ccc1=O)N1CC(CS(=O)(=O)F)C1	2199698287	NWFJHPMTEYUMSD-UHFFFAOYSA-N	305.287	-1.293	70	10	DAIE	
COCCN1C[C@@H](C(=O)N2CC(S(=O)(=O)F)C2)CC1=O	2199698712	QHKHLHDSDBLHIZ-QMMMGPOBSA-N	308.331	-1.009	70	10	DAIE	
CS(=O)(=O)[C@@H](C(=O)NC1CN(S(=O)(=O)F)C1)C1CC1	2335970050	QDCKXPRCLJJVHX-MRVPVSSYSA-N	314.360	-1.176	70	10	DAIE	
COCCNC[C@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1667888866	XBJACGWXTSMYDN-QMMMGPOBSA-N	323.346	-1.000	70	10	DAIE	
O=S(=O)(F)C1CN(S(=O)(=O)N2CCC[C@H](O)C2)C1	2078989117	QZQPUNOPODNIFB-ZETCQYMHSA-N	302.349	-1.329	70	10	DAIE	
O=S(=O)(F)N1CC[C@H](NS(=O)(=O)N2CC[C@@H](O)C2)C1	2271516698	OQCJGHPPNHDCBA-JGVFFNPUSA-N	317.364	-1.824	70	10	DAIE	
O=C(NNC(=O)[C@@H]1COCCO1)c1cc(S(=O)(=O)F)c[nH]1	1457156502	RVVUSFUXPBHVJY-QMMMGPOBSA-N	321.286	-1.151	70	10	DAIE	
COC(=O)[C@@H](C)S(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2107402734	ONVYCKGABDJCOS-SSDOTTSWSA-N	318.348	-1.290	70	10	DAIE	
CNC(=O)[C@H]1CNCCN1c1cnn(CCO)c(=O)c1Cl	159635057	OVDCZDMHICYPTE-SECBINFHSA-N	315.761	-1.587	70	10	DAIE	
O=C(CN1CSCC1=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271489621	RRJFMLJBSNGYAE-SSDOTTSWSA-N	311.360	-1.076	70	10	DAIE	
CC1(C)[C@@H]2OCC[C@H]2[C@]1(N)C(=O)NCCCS(N)(=O)=O	160428527	GXKYVRSGWHAQBE-LNLATYFQSA-N	305.400	-1.076	70	10	DAIE	
COC(=O)[C@H](O)CNC(=O)CS[C@H]1CCS(=O)(=O)C1	217720773	XWPIGSSADTYPNV-JGVFFNPUSA-N	311.381	-1.443	70	10	DAIE	
Cc1c(B(O)O)cc(CS(=O)(=O)F)cc1N1CCNCC1	1887515251	RKJHXPMDFDHDQH-UHFFFAOYSA-N	316.163	-1.116	70	10	DAIE	
Cn1cc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)n(C)c1=O	2287076484	SPYNJTRGWVYABH-ZETCQYMHSA-N	306.319	-1.258	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CCCS(=O)(=O)C1	2268806193	BLFHMCCIDKUDFH-ZETCQYMHSA-N	314.360	-1.174	70	10	DAIE	
CNC(=O)[C@H]1COCCN1S(=O)(=O)N1CCCNCC1	160026421	XIWZVUNXTJTQHK-SNVBAGLBSA-N	306.388	-2.027	70	10	DAIE	
CN(C)S(=O)(=O)NCC(=O)N1CC(S(=O)(=O)F)C1	2078997804	PCCRBCVWKBKXBW-UHFFFAOYSA-N	303.337	-2.108	70	10	DAIE	
CS(=O)(=O)CC[C@@H](N)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	160251162	JYLNRLGLZKWICM-GMTAPVOTSA-N	317.411	-1.125	70	10	DAIE	
C[C@H](CNCC(N)=O)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1732971052	JAYZDGIBOUMGEK-ZCFIWIBFSA-N	306.319	-1.134	70	10	DAIE	
N#CC1CN(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2271517826	UKIOWFYEFZLZEV-QMMMGPOBSA-N	312.348	-1.435	70	10	DAIE	
COCCc1c(C(=O)OC)nnn1[C@H]1CS(=O)(=O)C[C@@H]1O	159855905	HKCSEFIIBBYOIX-IUCAKERBSA-N	319.339	-1.416	70	10	DAIE	
CC(=O)NC[C@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1680181412	NYJRYSLWNUFVFI-SSDOTTSWSA-N	307.303	-1.100	70	10	DAIE	
N#C[C@H]1CCN(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)C1	2268779450	CITHYECGNWBKJC-SSDOTTSWSA-N	312.348	-1.435	70	10	DAIE	
NC(=O)NCCNS(=O)(=O)c1ccc(C(N)=O)cc1N	160705190	ZBVQIFLIPQIEAO-UHFFFAOYSA-N	301.328	-1.686	70	10	DAIE	
CO[C@]1(CNC(=O)c2n[nH]c(C)c2S(N)(=O)=O)CCOC1	161486624	BREJEBVGNYEAIT-NSHDSACASA-N	318.355	-1.099	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CCc2nn[nH]c2C1	2284142040	LQOMUDINPSRYJW-ZCFIWIBFSA-N	303.319	-1.076	70	10	DAIE	
CCNC(=O)[C@@H]1COCCN1S(=O)(=O)N1CCCNCC1	160025721	MYAUDNKJZNCADP-NSHDSACASA-N	320.415	-1.637	70	10	DAIE	
CCNC(=O)[C@H]1COCCN1S(=O)(=O)N1CCCNCC1	160025841	MYAUDNKJZNCADP-LLVKDONJSA-N	320.415	-1.637	70	10	DAIE	
COC(=O)CS(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2045937042	PEDZWZLNDCFKHM-UHFFFAOYSA-N	304.321	-1.775	70	10	DAIE	
O=S(=O)(F)N1CCN(S(=O)(=O)N2CC[C@H](O)C2)CC1	2107408896	QIHZDFDOWMBCDT-QMMMGPOBSA-N	317.364	-1.870	70	10	DAIE	
NC(=O)c1ccc(S(=O)(=O)CCS(=O)(=O)Cl)nn1	124857842	WSDATMUFUWVOLK-UHFFFAOYSA-N	313.744	-1.082	70	10	DAIE	
Cc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)nn1	2268804326	BSKLEDFKHDLZCM-UHFFFAOYSA-N	310.332	-1.038	70	10	DAIE	
Cc1c(B(O)O)cc(CN2CCNCC2)cc1S(=O)(=O)F	1887515222	MZUPMNUSROFXRT-UHFFFAOYSA-N	316.163	-1.262	70	10	DAIE	
Cn1cc(S(=O)(=O)F)c(NC(=O)CNS(C)(=O)=O)n1	1923167782	QKQZYMLPORXYLV-UHFFFAOYSA-N	314.320	-1.434	70	10	DAIE	
O=C1CC[C@@H](C(=O)NNC(=O)c2cc(S(=O)(=O)F)c[nH]2)N1	1287237855	HWPODFALTYLMLD-LURJTMIESA-N	318.286	-1.288	70	10	DAIE	
COCCNS(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2045263992	ITUYVEOOQQMMNX-UHFFFAOYSA-N	305.353	-1.701	70	10	DAIE	
COC(=O)[C@H](C)S(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2108154316	OVZPDIRNYXRGEE-LURJTMIESA-N	318.348	-1.387	70	10	DAIE	
O=S(=O)(NC1CN(S(=O)(=O)F)C1)C1CCOCC1	2256723424	ZETVWQFJHPQQGK-UHFFFAOYSA-N	302.349	-1.017	70	10	DAIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1Cc2nncn2C1	2287070359	UBLPRVKHPOKSIR-JGVFFNPUSA-N	303.319	-1.145	70	10	DAIE	
CN(C)S(=O)(=O)NCC(=O)NC1CN(S(=O)(=O)F)C1	2268803280	DGXDAFHHGLBIAM-UHFFFAOYSA-N	318.352	-2.603	70	10	DAIE	
CCNC(=O)[C@@H]1COCCN1C(=O)[C@@H](N)CCS(C)(=O)=O	159531822	PAWQVBSCTJEDPO-UWVGGRQHSA-N	321.399	-1.888	70	10	DAIE	
C[C@@H](O)CN[C@@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1507240665	RJOJPYRDUZKQEK-HTQZYQBOSA-N	323.346	-1.266	70	10	DAIE	
COC(=O)CS(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	1923190924	DOGDUHOZBNNARM-UHFFFAOYSA-N	315.304	-1.007	70	10	DAIE	
O=C(NC[C@H](O)Cn1ccccc1=O)c1cc(=O)[nH]c(=O)[nH]1	218434810	HDJUVNGUBNCYKR-QMMMGPOBSA-N	306.278	-1.984	70	10	DAIE	
CC(C)NC(=O)[C@@H]1COCCN1S(=O)(=O)[C@@H]1CCNC1	160519910	PYMXJKRPCCXQKD-MNOVXSKESA-N	305.400	-1.097	70	10	DAIE	
CC(C)NC(=O)[C@@H]1COCCN1[C@@H]1CS(=O)(=O)C[C@@H]1N	159877644	MDMNOWWTLGKMTH-GARJFASQSA-N	305.400	-1.664	70	10	DAIE	
COC(=O)[C@H](O)CNC(=O)CS[C@@H]1CCS(=O)(=O)C1	217720625	XWPIGSSADTYPNV-HTQZYQBOSA-N	311.381	-1.443	70	10	DAIE	
CCCNC(=O)[C@H]1COCCN1S(=O)(=O)N1CCNCC1	160026713	ZUTRWKDXZQGASN-LLVKDONJSA-N	320.415	-1.637	70	10	DAIE	
CCCNC(=O)[C@H]1COCCN1S(=O)(=O)[C@@H]1CCNC1	160519497	ANTKVFPSNYVLLQ-GHMZBOCLSA-N	305.400	-1.095	70	10	DAIE	
Cn1cc(S(=O)(=O)NCC2CN(S(=O)(=O)F)C2)nn1	2108156782	HZDCYNWOSMWNRP-UHFFFAOYSA-N	313.336	-1.761	70	10	DAIE	
Cn1ncc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)n1	2271515953	LJLURJMZKUWSPG-ZCFIWIBFSA-N	313.336	-1.618	70	10	DAIE	
O=S(=O)(F)N1CC(CNS(=O)(=O)N2CCOCC2)C1	2108154622	QTMBKUOPXVXJHZ-UHFFFAOYSA-N	317.364	-1.701	70	10	DAIE	
Cn1nccc1S(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2107402240	HRGSQHYZNJJPNL-UHFFFAOYSA-N	312.348	-1.059	70	10	DAIE	
CN(CC(=O)NC[C@@H](O)Cn1ccccc1=O)S(C)(=O)=O	218432272	HKPGGRSUFNAKRH-SNVBAGLBSA-N	317.367	-1.783	70	10	DAIE	
N#CC1CN(S(=O)(=O)NCC2CN(S(=O)(=O)F)C2)C1	2108337540	AFGKNKOVEPKYDU-UHFFFAOYSA-N	312.348	-1.578	70	10	DAIE	
COC(=O)CS(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2112718349	MFMPOHAGWUWGAY-UHFFFAOYSA-N	318.348	-1.243	70	10	DAIE	
Cn1cc(C(=O)N2CCN(S(=O)(=O)F)CC2)n(C)c1=O	1974013922	BYECHRFSCNKWAT-UHFFFAOYSA-N	306.319	-1.304	70	10	DAIE	
COCCNC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1667888865	XBJACGWXTSMYDN-MRVPVSSYSA-N	323.346	-1.000	70	10	DAIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CO[C@H]2COC[C@H]12	1974054413	CPNFSHOFMGDTRW-BBBLOLIVSA-N	308.331	-1.090	70	10	DAIE	
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O=S1(=O)CC[C@H](NS(=O)(=O)c2cnn(CCCO)c2)C1	217996800	AEBVZONCCATWFQ-VIFPVBQESA-N	323.396	-1.269	70	10	DAIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@]2(C)CNC(=O)C2)[nH]1	2172376360	DUCXRMXZMZRRKG-SNVBAGLBSA-N	304.303	-1.035	70	10	DAIE	
CN1N=C(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CCC1=O	2287068159	GZZDJBHEUXNSCC-SSDOTTSWSA-N	306.319	-1.001	70	10	DAIE	
CCCNC(=O)[C@@H]1COCCN1C(=O)C(=O)NCC(N)=S	159778678	MKYUJLKLVXDIJW-QMMMGPOBSA-N	316.383	-1.858	70	10	DAIE	
COC(=O)[C@@H](C)S(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271511224	BJHABWYWEJDHRY-RQJHMYQMSA-N	318.348	-1.244	70	10	DAIE	
O=C(NNC(=O)[C@H]1COCCO1)c1cc(S(=O)(=O)F)c[nH]1	1457156469	RVVUSFUXPBHVJY-MRVPVSSYSA-N	321.286	-1.151	70	10	DAIE	
CN1CCO[C@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)C1	2187815577	OMDNNZXYRPFESS-ZETCQYMHSA-N	306.319	-1.231	70	10	DAIE	
O=S(=O)(F)N1CC(NS(=O)(=O)N2CCC[C@H](O)C2)C1	2268780312	NDKSKPPRAINIDR-QMMMGPOBSA-N	317.364	-1.824	70	10	DAIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](N)CC(N)=O)c1	160320335	WBGZNYJZRQTFTC-ZETCQYMHSA-N	301.324	-1.063	70	10	DAIE	
O=S(=O)(F)C1CN(S(=O)(=O)N2CCC(O)CC2)C1	2078988264	FWACAQNBTGVLMJ-UHFFFAOYSA-N	302.349	-1.329	70	10	DAIE	
CC(=O)N[C@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1337862857	RZBSCUKISSRGRD-ZETCQYMHSA-N	307.303	-1.100	70	10	DAIE	
C[C@@H](C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)S(C)(=O)=O	2258982423	ZIDXNCDXPPCVSA-NKWVEPMBSA-N	302.349	-1.176	70	10	DAIE	
C[C@H](O)CNC[C@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1715604758	YUFQZTCTXCWSOV-YUMQZZPRSA-N	323.346	-1.266	70	10	DAIE	
O=C1C[C@@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)NC(=O)N1	2287073988	AAJSINHHKIWTFF-RITPCOANSA-N	308.291	-2.011	70	10	DAIE	
O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)F)CC1	1974001473	UNUGJHOJVDISPZ-MRVPVSSYSA-N	314.360	-1.220	70	10	DAIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CN2CCN1CC2	2287073091	QUGOIDPAVCMSQR-ZJUUUORDSA-N	306.363	-1.609	70	10	DAIE	
O=C(NCC1CN(S(=O)(=O)F)C1)c1cnc(O)nc1O	2164439344	VQDMVNJZRIGULI-UHFFFAOYSA-N	306.275	-1.236	70	10	DAIE	
O=S(=O)(F)C1CCN(S(=O)(=O)N2CC(O)C2)CC1	1914067111	RDLSFCWEOBENQJ-UHFFFAOYSA-N	302.349	-1.329	70	10	DAIE	
C[C@H](C(N)=S)S(=O)(=O)N1CCOC[C@@H]1C(=O)NC1CC1	159788032	ITMPPWZREWHSMM-VXNVDRBHSA-N	321.424	-1.030	70	10	DAIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CN2CCN1CC2	2287073089	QUGOIDPAVCMSQR-UWVGGRQHSA-N	306.363	-1.609	70	10	DAIE	
O=C(Cn1ccc(O)nc1=O)N1CC[C@@H](S(=O)(=O)F)C1	2144732053	AZNNCWDGMOIDRW-SSDOTTSWSA-N	305.287	-1.151	70	10	DAIE	
CS(=O)(=O)CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2258987256	TURMQSNVAHFOOO-LURJTMIESA-N	324.377	-1.804	70	10	DAIE	
O=S(=O)(F)N1CC(NS(=O)(=O)N2CCC(O)CC2)C1	2268781322	YPZNVPZEFVNHGX-UHFFFAOYSA-N	317.364	-1.824	70	10	DAIE	
CS(=O)(=O)C1(C(=O)NC2CN(S(=O)(=O)F)C2)CCC1	2268804330	BUUYMYXZYRMPDJ-UHFFFAOYSA-N	314.360	-1.032	70	10	DAIE	
CNC(=O)[C@@H]1COCCN1S(=O)(=O)N(C)CCC(=O)OC	159472607	MWSVPFFYLSXIMS-VIFPVBQESA-N	323.371	-1.827	70	10	DAIE	
CC1(OCC(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)CNC1	161124940	NOWCOCAJXGYVCN-JTQLQIEISA-N	320.415	-1.603	70	10	DAIE	
O=c1[nH]nc(S(=O)(=O)CCS(=O)(=O)Cl)c(=O)[nH]1	112084163	REFFNKKAHCIJKQ-UHFFFAOYSA-N	303.705	-2.200	70	10	DAIE	
COC(=O)CS(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2045264449	LLANHDNWAMPUHK-UHFFFAOYSA-N	304.321	-1.679	70	10	DAIE	
O=c1ccccn1C[C@H](O)CNS(=O)(=O)N1CCOCC1	218482113	CBBPPELSBIECLI-LLVKDONJSA-N	317.367	-1.624	70	10	DAIE	
COCC(COC)S(=O)(=O)N1CC(S(=O)(=O)F)C1	2079001101	NIQKSPFSJFAMGA-UHFFFAOYSA-N	305.349	-1.039	70	10	DAIE	
COCCNS(=O)(=O)NC1CCN(S(=O)(=O)F)CC1	2112716861	BMWHVRVTMOHKLM-UHFFFAOYSA-N	319.380	-1.265	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CCn2ncnc2C1	2284149687	CLZJBHCEARBYPA-ZETCQYMHSA-N	303.319	-1.145	70	10	DAIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCCS1(=O)=O	2271503537	SNOSWZXFDQOJEL-YUMQZZPRSA-N	314.360	-1.032	70	10	DAIE	
O=C(NCC1(O)CN(CCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1724475332	PKKWNKXIQIBYFQ-UHFFFAOYSA-N	321.330	-1.558	70	10	DAIE	
CCCNC(=O)[C@@H]1COCCN1S(=O)(=O)[C@@H]1CCNC1	160519364	ANTKVFPSNYVLLQ-MNOVXSKESA-N	305.400	-1.095	70	10	DAIE	
CS(=O)(=O)C1(C(=O)NC2CN(S(=O)(=O)F)C2)CC1	2256750096	XWJLHRRLVCPBDD-UHFFFAOYSA-N	300.333	-1.422	70	10	DAIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)C1CS(=O)(=O)C1	1974394851	QLFFHYFYWXPJJZ-UHFFFAOYSA-N	314.360	-1.174	70	10	DAIE	
O=S(=O)(F)N1CCN(S(=O)(=O)c2cccnn2)CC1	2107410842	FUAWCYLJTFUQAF-UHFFFAOYSA-N	310.332	-1.003	70	10	DAIE	
CNC(=O)[C@H]1COCCN1S(=O)(=O)CCCC(=O)OC	159470005	VKCXWTHLKJCBDT-SECBINFHSA-N	308.356	-1.284	70	10	DAIE	
O=S(=O)(C[C@H]1CCCO1)NC1CN(S(=O)(=O)F)C1	2256747765	OWIADOKVJNJYRG-MRVPVSSYSA-N	302.349	-1.017	70	10	DAIE	
O=C(Cn1ncccc1=O)NC[C@@H](O)Cn1ccccc1=O	218437383	GIWCJRMAMCZFHD-LLVKDONJSA-N	304.306	-1.418	70	10	DAIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCS(=O)(=O)C1	2271496497	XVCXEUGCLMSONA-YUMQZZPRSA-N	314.360	-1.174	70	10	DAIE	
O=C1NC[C@@H](Cn2cc(S(=O)(=O)Cl)c(=O)[nH]c2=O)O1	215905742	UZUUDBNUJFSSDS-BYPYZUCNSA-N	309.687	-1.428	70	10	DAIE	
Cn1c(=O)[nH]cc(CCN2CCn3nc(CO)cc3C2)c1=O	217584719	VAPHQQFRVGEEQC-UHFFFAOYSA-N	305.338	-1.179	70	10	DAIE	
Cc1[nH]nc(CO)c1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1	217995667	NUXZRTCQRJYCKD-SSDOTTSWSA-N	309.369	-1.324	70	10	DAIE	
CN1C[C@@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CC1=O	1923149943	FPHZGJKFSCHRQR-LURJTMIESA-N	304.303	-1.083	70	10	DAIE	
CNC(=O)[C@H]1COCCN1S(=O)(=O)N(C)CCC(=O)OC	159472718	MWSVPFFYLSXIMS-SECBINFHSA-N	323.371	-1.827	70	10	DAIE	
CCNC(=O)[C@@H]1COCCN1C[C@H](O)CN1CCNCC1	159869994	WDCPSHBBJCPGCB-OLZOCXBDSA-N	300.403	-1.911	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21	2268805127	HPUORVFIWBAVKD-RNLVFQAGSA-N	312.344	-1.708	70	10	DAIE	
C#CCNC(=O)Cn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	215912746	LUNNLVLQUMAPEH-UHFFFAOYSA-N	305.699	-1.787	70	10	DAIE	
CCNC(=O)[C@H]1COCCN1S(=O)(=O)N(C)CCCN	159486705	KPEGKYMSDPBJPU-SNVBAGLBSA-N	308.404	-1.651	70	10	DAIE	
NC[C@@H]1CCCCN1S(=O)(=O)NCCN1CCOCC1	217296352	YXYGAEATPCCQCJ-LBPRGKRZSA-N	306.432	-1.034	70	10	DAIE	
O=c1[nH]cc(S(=O)(=O)NCC2(CO)CCCC2)c(=O)[nH]1	160340104	DOPKXKVYYPEZDU-UHFFFAOYSA-N	303.340	-1.106	70	10	DAIE	
COCC(COC)S(=O)(=O)NC1CN(S(=O)(=O)F)C1	2268777651	GSSXYZSYLCMFHL-UHFFFAOYSA-N	320.364	-1.534	70	10	DAIE	
Cn1cc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)F)C2)nn1	2271499982	IECHNZISJGAQIW-LURJTMIESA-N	313.336	-1.618	70	10	DAIE	
O=S1(=O)CC[C@@H](S(=O)(=O)N2CC(S(=O)(=O)F)C2)C1	2078998122	RJKJDHNUYIKFIT-ZCFIWIBFSA-N	321.373	-1.513	70	10	DAIE	
CN1CCN(C)[C@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2287076265	IABOPVZCECEVTO-UWVGGRQHSA-N	308.379	-1.363	70	10	DAIE	
O=C(CN1C(=O)CCC1=O)NC[C@@H](O)Cn1ccccc1=O	218427794	XNUCIOJUKOICJV-SNVBAGLBSA-N	307.306	-1.526	70	10	DAIE	
O=C([C@H]1CCCN1[C@H]1CS(=O)(=O)C[C@H]1O)N1CCNCC1	217932979	SUARNVGZXBXHGY-GRYCIOLGSA-N	317.411	-1.960	70	10	DAIE	
O=C(NC[C@H](CO)NCCO)c1cc(S(=O)(=O)F)c[nH]1	1676584165	QOKKHCGLEWVFJI-SSDOTTSWSA-N	309.319	-1.655	70	10	DAIE	
C[C@@H](C(=O)N1CCN(S(=O)(=O)F)CC1)S(C)(=O)=O	1974000893	ISVDVLNCTFHCON-ZETCQYMHSA-N	302.349	-1.222	70	10	DAIE	
NC(=O)N1CCN2C(=O)N(CCS(=O)(=O)F)C(=O)[C@@H]2C1	1119348978	BZJPIIPLVDJMOE-LURJTMIESA-N	308.291	-1.687	70	10	DAIE	
O=C([C@@H]1CN2CCN1CC2)N1CCN(S(=O)(=O)F)CC1	2163659165	RBANGPVRYNPHHT-JTQLQIEISA-N	306.363	-1.655	70	10	DAIE	
O=C1NC[C@H](Cn2cc(S(=O)(=O)Cl)c(=O)[nH]c2=O)O1	215905791	UZUUDBNUJFSSDS-SCSAIBSYSA-N	309.687	-1.428	70	10	DAIE	
CS(=O)(=O)NCC(=O)N1CCC(S(=O)(=O)F)CC1	2028126899	GQEAWRAWEIQAJC-UHFFFAOYSA-N	302.349	-1.174	70	10	DAIE	
O=C(C[C@H]1CCS(=O)(=O)C1)NC1CN(S(=O)(=O)F)C1	2268798081	QNBLREGXTYOAIK-SSDOTTSWSA-N	314.360	-1.174	70	10	DAIE	
CNC(=O)[C@H]1COCCN1C(=O)C[C@H]1CS(=O)(=O)CCN1	159569864	JDWGOCFBGJWYBL-VHSXEESVSA-N	319.383	-2.264	70	10	DAIE	
CN1C[C@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)CC1=O	1923149944	FPHZGJKFSCHRQR-ZCFIWIBFSA-N	304.303	-1.083	70	10	DAIE	
O=S(=O)(F)N1CC[C@H](NS(=O)(=O)N2CC[C@H](O)C2)C1	2271516702	OQCJGHPPNHDCBA-YUMQZZPRSA-N	317.364	-1.824	70	10	DAIE	
CCCNC(=O)[C@@H]1COCCN1S(=O)(=O)N1CCNCC1	160026613	ZUTRWKDXZQGASN-NSHDSACASA-N	320.415	-1.637	70	10	DAIE	
CS(=O)(=O)N1CCN(C(=O)Nc2ccc(=O)[nH]n2)CC1	217304108	OPCUSPXYRYKVFN-UHFFFAOYSA-N	301.328	-1.121	70	10	DAIE	
COC(=O)CCS(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2108152354	AVQCCBHZNHZFMM-UHFFFAOYSA-N	318.348	-1.385	70	10	DAIE	
CCC(CO)(CO)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F	2279302679	GFCMOYFPGOPQRS-UHFFFAOYSA-N	309.319	-1.180	70	10	DAIE	
O=C([C@H]1CCCS1(=O)=O)N1CCN(S(=O)(=O)F)CC1	1974015869	YSMYSSZROZAELT-MRVPVSSYSA-N	314.360	-1.078	70	10	DAIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](N)CC(N)=O)c1	160320211	WBGZNYJZRQTFTC-SSDOTTSWSA-N	301.324	-1.063	70	10	DAIE	
O=S1(=O)CC[C@H](NS(=O)(=O)N2CCC(CO)CC2)C1	217988805	YCLSKTTVAGWANA-JTQLQIEISA-N	312.413	-1.288	70	10	DAIE	
CC(C)NC(=O)[C@H]1COCCN1C(=O)C(=O)NCC(N)=S	159785251	JMYPFBITAJZNJN-MRVPVSSYSA-N	316.383	-1.859	70	10	DAIE	
CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H](S(=O)(=O)F)C1	2088472298	PGWCITLWMDVGOP-SSDOTTSWSA-N	317.364	-1.717	70	10	DAIE	
CN1CCN(C)[C@@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1	2287076267	IABOPVZCECEVTO-VHSXEESVSA-N	308.379	-1.363	70	10	DAIE	
CCNC(=O)[C@@H]1COCCN1C[C@H](NC(C)=O)C(=O)OC	160034943	JAFQKJKQMJBVFL-QWRGUYRKSA-N	301.343	-1.499	70	10	DAIE	
CN1CCO[C@H](Cn2cc(S(=O)(=O)Cl)c(=O)[nH]c2=O)C1	215750778	QLHBXIXSEWTBGD-ZETCQYMHSA-N	323.758	-1.205	70	10	DAIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CCS(=O)(=O)C1	2108159506	XFNHFKBFZOBBFF-MRVPVSSYSA-N	314.360	-1.317	70	10	DAIE	
O=C(C[C@@H]1CCS(=O)(=O)C1)NC1CN(S(=O)(=O)F)C1	2268798082	QNBLREGXTYOAIK-ZETCQYMHSA-N	314.360	-1.174	70	10	DAIE	
Cn1nc(C(=O)NC[C@@H](O)Cn2ccccc2=O)ccc1=O	218395077	ISEGFVKIPFCXOL-SNVBAGLBSA-N	304.306	-1.267	70	10	DAIE	
O=S(=O)(Cl)CCS(=O)(=O)c1cncc2nnnn12	112084130	VNISOEYCHQQTKC-UHFFFAOYSA-N	311.732	-1.138	70	10	DAIE	
C#CCNC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1667888425	NPLUOJWQFDNRBY-MRVPVSSYSA-N	303.315	-1.014	70	10	DAIE	
CS(=O)(=O)CC[C@@H](N)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	160251424	JYLNRLGLZKWICM-MXWKQRLJSA-N	317.411	-1.125	70	10	DAIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CCS2(=O)=O)[nH]1	1923174797	ZQGPYZKANKXAOM-YFKPBYRVSA-N	311.316	-1.374	70	10	DAIE	
CS(=O)(=O)CC(=O)NC1CCN(S(=O)(=O)F)CC1	2049895972	PSMZSHKRYVEPEB-UHFFFAOYSA-N	302.349	-1.174	70	10	DAIE	
O=C(C[C@]1(C(=O)N2CCNCC2)CCNC1)N1CCNCC1	161157742	HYUVSIQODCQRPU-OAHLLOKOSA-N	309.414	-1.780	70	10	DAIE	
O=C1CC[C@H]1CS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2256747680	NWNYPJKCDJLVAN-LURJTMIESA-N	300.333	-1.217	70	10	DAIE	
O=S(=O)(F)N1CC(NS(=O)(=O)N2CCOCC2)C1	2256748251	VMWJQWFWBJWLLS-UHFFFAOYSA-N	303.337	-1.949	70	10	DAIE	
COC(=O)[C@@H](C)S(=O)(=O)NC1CN(S(=O)(=O)F)C1	2256719608	AULWDLHGSMCAHW-RXMQYKEDSA-N	304.321	-1.634	70	10	DAIE	
C[C@@H](C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F)S(C)(=O)=O	1923167538	OCJGYZPELJNOON-YFKPBYRVSA-N	313.332	-1.128	70	10	DAIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CO[C@@H]2COC[C@@H]21	1974054415	CPNFSHOFMGDTRW-OPRDCNLKSA-N	308.331	-1.090	70	10	DAIE	
O=C(Cn1cccnc1=O)NCC1CN(S(=O)(=O)F)C1	1974060182	SAOUYMHFGBVRCC-UHFFFAOYSA-N	304.303	-1.494	70	10	DAIE	
O=S1(=O)CC[C@@H](NS(=O)(=O)N2CCC[C@@H](CO)C2)C1	217989539	IVQBLIQMQCCTEC-NXEZZACHSA-N	312.413	-1.288	70	10	DAIE	
O=S(=O)(F)N1CC(CNS(=O)(=O)N2CC[C@H](O)C2)C1	2108156633	GWGFFXXEKBVWPA-QMMMGPOBSA-N	317.364	-1.967	70	10	DAIE	
O=C1NC[C@H]2CN(S(=O)(=O)N3CCCNCC3)CCN12	217964836	GRPRUKWAXRQZEE-JTQLQIEISA-N	303.388	-1.764	70	10	DAIE	
CN1CC(=O)N(CC(=O)N2CC[C@H](S(=O)(=O)F)C2)C1=O	2144734007	WGNUMBVQYNALPT-ZETCQYMHSA-N	307.303	-1.219	70	10	DAIE	
O=S1(=O)CC[C@H](NS(=O)(=O)N2CCC[C@@H](CO)C2)C1	217989627	IVQBLIQMQCCTEC-ZJUUUORDSA-N	312.413	-1.288	70	10	DAIE	
CCS(=O)(=O)CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2258977522	BQDNAFHBMBPBCR-ZETCQYMHSA-N	302.349	-1.174	70	10	DAIE	
O=S(=O)(F)CCC1CN(S(=O)(=O)N2CC(O)C2)C1	2078998124	RJUPZZZTQRBIFF-UHFFFAOYSA-N	302.349	-1.471	70	10	DAIE	
CO[C@H]1CCN(S(=O)(=O)CCS(C)(=O)=O)[C@H](CN)C1	161151134	WSGJTRYVXCCHLK-UWVGGRQHSA-N	314.429	-1.201	70	10	DAIE	
Cn1nc(C(=O)NC[C@H](O)Cn2ccccc2=O)ccc1=O	218395000	ISEGFVKIPFCXOL-JTQLQIEISA-N	304.306	-1.267	70	10	DAIE	
CS(=O)(=O)CS(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2045264579	MUVUEVFYXFUFIL-UHFFFAOYSA-N	324.377	-1.850	70	10	DAIE	
C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC(N)=O	1774037798	FQYLXANLFVYYPQ-LURJTMIESA-N	306.319	-1.134	70	10	DAIE	
Cc1n[nH]c(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1CO	218010252	DJLUSUGJUIYNEI-ZETCQYMHSA-N	309.369	-1.324	70	10	DAIE	
COC1CN(S(=O)(=O)N2CC[C@@H](S(=O)(=O)F)C2)C1	2043670673	VGGPJFWHBCCDLD-MRVPVSSYSA-N	302.349	-1.065	70	10	DAIE	
N#CCNC[C@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1320272701	IWKYFQATGCSQOL-ZETCQYMHSA-N	304.303	-1.123	70	10	DAIE	
O=C1CC(S(=O)(=O)N2CCN(S(=O)(=O)F)CC2)C1	2053109366	WVHLHZUSTQIFBN-UHFFFAOYSA-N	300.333	-1.120	70	10	DAIE	
O=C(Cn1cc([N+](=O)[O-])cn1)NC1CN(S(=O)(=O)F)C1	2284151641	SQUOIPFAYAFPSG-UHFFFAOYSA-N	307.263	-1.194	70	10	DAIE	
O=S(=O)(F)N1CCN(S(=O)(=O)N2CC(O)C2)CC1	1973669179	ZBVPRAWOGZBWKB-UHFFFAOYSA-N	303.337	-2.260	70	10	DAIE	
CNC(=O)[C@@H]1COCCN1CC(=O)N(C)CCC(N)=S	159817256	JTQCEEFZXLSKDF-VIFPVBQESA-N	302.400	-1.432	70	10	DAIE	
O=C1C[C@@H](C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)NC(=O)N1	2144733298	OPDJKECOLPUEIX-RQJHMYQMSA-N	307.303	-1.125	70	10	DAIE	
O=C1CN(CCS(=O)(=O)F)C(=O)N1CCS(=O)(=O)F	107824584	CVWGTYUZMIDCKS-UHFFFAOYSA-N	320.295	-1.151	70	10	DAIE	
CC1(OCC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)CNC1	161119856	POAHBTBYZMLLGG-SNVBAGLBSA-N	306.384	-1.627	70	10	DAIE	
O=C(c1cnc(O)nc1O)N1CCN(S(=O)(=O)F)CC1	2163648331	CQPHKDOFTSQHKX-UHFFFAOYSA-N	306.275	-1.140	70	10	DAIE	
CCn1cc(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)nn1	2268779125	XIUGVWAMQARQCU-UHFFFAOYSA-N	313.336	-1.525	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CCCS(=O)(=O)C1	2268806191	BLFHMCCIDKUDFH-SSDOTTSWSA-N	314.360	-1.174	70	10	DAIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)c2ncc[nH]c2=O)[nH]1	2167124398	KQECOUIZTOOWJL-UHFFFAOYSA-N	301.259	-1.164	70	10	DAIE	
O=S1(=O)CC(S(=O)(=O)N2CC(S(=O)(=O)F)C2)C1	2022183082	MSCCBLBXEMVLMO-UHFFFAOYSA-N	307.346	-1.903	70	10	DAIE	
NC(=O)CSCCC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271492669	OIWDICBSCFNUKU-SSDOTTSWSA-N	313.376	-1.000	70	10	DAIE	
O=C([C@H]1CN2CCN1CC2)N1CCN(S(=O)(=O)F)CC1	2163659166	RBANGPVRYNPHHT-SNVBAGLBSA-N	306.363	-1.655	70	10	DAIE	
NS(=O)(=O)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1556987286	DCWIUXSODSPHSD-UHFFFAOYSA-N	311.316	-1.214	70	10	DAIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCCS1(=O)=O	2271503536	SNOSWZXFDQOJEL-SFYZADRCSA-N	314.360	-1.032	70	10	DAIE	
O=C1CC[C@H](C(=O)NNC(=O)c2cc(S(=O)(=O)F)c[nH]2)N1	1287237857	HWPODFALTYLMLD-ZCFIWIBFSA-N	318.286	-1.288	70	10	DAIE	
O=S(=O)(F)CC1CN(S(=O)(=O)N2CCC[C@@H](O)C2)C1	2134976132	VVBKGSKKYBKDPF-SECBINFHSA-N	316.376	-1.081	70	10	DAIE	
CS(=O)(=O)CCS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2256719635	AXTBDYLLRQQFEL-UHFFFAOYSA-N	324.377	-2.151	70	10	DAIE	
C[C@@H](C(=O)N[C@H]1CCN(S(=O)(=O)F)C1)S(C)(=O)=O	2258982422	ZIDXNCDXPPCVSA-BQBZGAKWSA-N	302.349	-1.176	70	10	DAIE	
COCCn1ncc(N2CCNC[C@@H]2C(N)=O)c(Cl)c1=O	159626041	ORKZWUFUPSNZGT-SECBINFHSA-N	315.761	-1.193	70	10	DAIE	
COC1CN(S(=O)(=O)NCC2CN(S(=O)(=O)F)C2)C1	2108159110	VRBGBOZMEAVWAI-UHFFFAOYSA-N	317.364	-1.703	70	10	DAIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCS1(=O)=O	2258978405	KVCNJYXAOJBQMV-RQJHMYQMSA-N	300.333	-1.422	70	10	DAIE	
CC1(CS(=O)(=O)NC2CN(S(=O)(=O)F)C2)COC1	2259013618	SFJGOOYTQDPMBE-UHFFFAOYSA-N	302.349	-1.159	70	10	DAIE	
O=S(=O)(F)Oc1cc(CN2CCNCC2)cc(B(O)O)c1	1887576885	BDJNMFVWMAIAIR-UHFFFAOYSA-N	318.135	-1.635	70	10	DAIE	
COC(=O)[C@@H](O)CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1	217736136	PLXPYYLIKNMUGF-BDAKNGLRSA-N	308.356	-1.692	70	10	DAIE	
Cc1[nH]nc(CO)c1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1	217995737	NUXZRTCQRJYCKD-ZETCQYMHSA-N	309.369	-1.324	70	10	DAIE	
CO[C@H]([SiH2]O[SiH3])C(OC)(OC)C(OC)(OC)OC	1848349853	QZUZAGBYMGIDGR-SSDOTTSWSA-N	300.456	-2.078	70	10	DAIE	
CCNC(=O)[C@@H]1COCCN1S(=O)(=O)N(C)CCCN	159486578	KPEGKYMSDPBJPU-JTQLQIEISA-N	308.404	-1.651	70	10	DAIE	
O=C1CC[C@@H]1CS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2256747681	NWNYPJKCDJLVAN-ZCFIWIBFSA-N	300.333	-1.217	70	10	DAIE	
NC(=O)N1CCC[C@@H](C(=O)NC2CN(S(=O)(=O)F)C2)C1	2284150897	NAAQJNDFXCGQPF-SSDOTTSWSA-N	308.335	-1.208	70	10	DAIE	
CC(C)NC(=O)Cn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	215805419	YFMVMLGSLGHOCK-UHFFFAOYSA-N	309.731	-1.011	70	10	DAIE	
O=C(CN1CSCC1=O)N1CCN(S(=O)(=O)F)CC1	1974000910	JBAAUTRYKHVMGM-UHFFFAOYSA-N	311.360	-1.122	70	10	DAIE	
Cn1nncc1S(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2108159957	ZFEGXHHYAJMIAE-UHFFFAOYSA-N	313.336	-1.761	70	10	DAIE	
CC1(C)NC(=O)N(CC(=O)N2CC(S(=O)(=O)F)C2)C1=O	2199685251	ASPPNHCHIUIDEX-UHFFFAOYSA-N	307.303	-1.173	70	10	DAIE	
O=S(=O)(F)N1CC[C@@H](NS(=O)(=O)N2CC[C@H](O)C2)C1	2271516700	OQCJGHPPNHDCBA-SFYZADRCSA-N	317.364	-1.824	70	10	DAIE	
CN(C)S(=O)(=O)NCC(=O)N1CC(CS(=O)(=O)F)C1	2134972499	DSNVRZDVRVCKMF-UHFFFAOYSA-N	317.364	-1.860	70	10	DAIE	
Cn1nncc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271517937	VRKAPZQILOKKIL-ZCFIWIBFSA-N	313.336	-1.618	70	10	DAIE	
CS(=O)(=O)CCC(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2258986892	RWZHAXKUNZFAGS-ZETCQYMHSA-N	302.349	-1.174	70	10	DAIE	
CN(CCCN)S(=O)(=O)N1CCOC[C@@H]1C(=O)NC1CC1	159489374	HSMWGIFPTDOFRG-LLVKDONJSA-N	320.415	-1.509	70	10	DAIE	
O=C(C[C@@]1(C(=O)N2CCNCC2)CCNC1)N1CCNCC1	161157846	HYUVSIQODCQRPU-HNNXBMFYSA-N	309.414	-1.780	70	10	DAIE	
O=C(CN1C(=O)CNC1=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2287069590	MTOPFQYWLOTLHX-ZCFIWIBFSA-N	308.291	-2.057	70	10	DAIE	
O=S(=O)(F)N1CC(CNS(=O)(=O)N2CC(O)C2)C1	2045938298	ASUBKNLQMBHMQB-UHFFFAOYSA-N	303.337	-2.357	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)C1CCS(=O)(=O)CC1	2268805399	JWIAZNSGMHUTTC-UHFFFAOYSA-N	314.360	-1.174	70	10	DAIE	
CCNC(=O)[C@@H]1COCCN1CC(=O)N(C)CCC(N)=S	159814976	APQILBMFYIGJIB-JTQLQIEISA-N	316.427	-1.042	70	10	DAIE	
O=C(NC[C@@H](CO)NCCO)c1cc(S(=O)(=O)F)c[nH]1	1676584166	QOKKHCGLEWVFJI-ZETCQYMHSA-N	309.319	-1.655	70	10	DAIE	
COC(=O)CCS(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271502300	WUWSTVICSMOHJN-ZETCQYMHSA-N	318.348	-1.243	70	10	DAIE	
CNC(=O)[C@@H]1COCCN1C(=O)C[C@H]1CS(=O)(=O)CCN1	159569737	JDWGOCFBGJWYBL-UWVGGRQHSA-N	319.383	-2.264	70	10	DAIE	
Cn1nnc(Cn2cc(S(=O)(=O)Cl)c(=O)[nH]c2=O)n1	236157876	QJTLMHMDFGPHKV-UHFFFAOYSA-N	306.691	-1.964	70	10	DAIE	
NC(=O)COCCn1cc(S(=O)(=O)Cl)c(O)nc1=O	2232300750	XZODENOXJDHRTQ-UHFFFAOYSA-N	311.703	-1.622	70	10	DAIE	
O=S1(=O)CC(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)C1	1917921834	JXYXYAJNAYCVBH-LURJTMIESA-N	321.373	-1.513	70	10	DAIE	
CS(=O)(=O)NCC(=O)NC1CCN(S(=O)(=O)F)CC1	2112695230	FYEPZGPGJCLQHV-UHFFFAOYSA-N	317.364	-1.670	70	10	DAIE	
CNC(=O)[C@@H]1COCCN1C(=O)[C@H](N)CCS(C)(=O)=O	159563845	BTVSQZOVJQPSDB-BDAKNGLRSA-N	307.372	-2.278	70	10	DAIE	
O=S(=O)(F)N1CC[C@H](NS(=O)(=O)N2CC(O)C2)C1	2259000916	UBXSCVYOSQJBGK-LURJTMIESA-N	303.337	-2.214	70	10	DAIE	
O=C(Cn1ncccc1=O)NC[C@H](O)Cn1ccccc1=O	218437459	GIWCJRMAMCZFHD-NSHDSACASA-N	304.306	-1.418	70	10	DAIE	
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC(S(=O)(=O)F)C1	1968217089	HFRDQLLIROGODB-QMMMGPOBSA-N	314.360	-1.080	70	10	DAIE	
CCN(C)C(=O)Cn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	215920881	WPMJJDDADIMGGX-UHFFFAOYSA-N	309.731	-1.058	70	10	DAIE	
O=S(=O)(NCC1CN(S(=O)(=O)F)C1)c1cccnn1	2108159013	UZBDOSMXLTYMEV-UHFFFAOYSA-N	310.332	-1.099	70	10	DAIE	
Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)F)CC2)nn1	2107412733	SNGOVEMPYFDEGE-UHFFFAOYSA-N	313.336	-1.664	70	10	DAIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)[C@H]1Cc2nncn2C1	2287070363	UBLPRVKHPOKSIR-YUMQZZPRSA-N	303.319	-1.145	70	10	DAIE	
CNC(=O)[C@H]1COCCN1C(=O)[C@H](N)CCS(C)(=O)=O	159563967	BTVSQZOVJQPSDB-RKDXNWHRSA-N	307.372	-2.278	70	10	DAIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CN2CCN1CC2	2287073088	QUGOIDPAVCMSQR-NXEZZACHSA-N	306.363	-1.609	70	10	DAIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@@H]1CCS1(=O)=O	2112724298	HJFLBJHSNANAHT-QMMMGPOBSA-N	314.360	-1.032	70	10	DAIE	
Cc1cc(N)cc(S(=O)(=O)N(CC(N)=O)CC(N)=O)c1F	159517130	WJWXOFICNUSBMJ-UHFFFAOYSA-N	318.330	-1.322	70	10	DAIE	
O=C(CN1C(=O)CNC1=O)N1CCN(S(=O)(=O)F)CC1	1974001452	UEWFWXVMQSGJHX-UHFFFAOYSA-N	308.291	-2.103	70	10	DAIE	
COC(=O)CCS(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2107402223	HMQDJWYMRNDGFL-UHFFFAOYSA-N	318.348	-1.289	70	10	DAIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@H]1CCS1(=O)=O	2258978404	KVCNJYXAOJBQMV-RNFRBKRXSA-N	300.333	-1.422	70	10	DAIE	
Cn1cc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)nn1	2271499983	IECHNZISJGAQIW-ZCFIWIBFSA-N	313.336	-1.618	70	10	DAIE	
O=C(Cn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O)NCC1CC1	215916903	BPYMHELISCDVDQ-UHFFFAOYSA-N	321.742	-1.010	70	10	DAIE	
C=CCNC(=O)Cn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	215931092	UBOUOBVLNHPOAY-UHFFFAOYSA-N	307.715	-1.234	70	10	DAIE	
NC(=O)N1CCC[C@H](C(=O)NC2CN(S(=O)(=O)F)C2)C1	2284150898	NAAQJNDFXCGQPF-ZETCQYMHSA-N	308.335	-1.208	70	10	DAIE	
CN(C)C(=O)NCCNC(=O)C[C@H]1CS(=O)(=O)CCN1	160850296	UJPJMKPQUMUGGA-VIFPVBQESA-N	306.388	-1.850	70	10	DAIE	
O=C1CC(S(=O)(=O)NCC2CN(S(=O)(=O)F)C2)C1	2053108675	LXSYTENCPPPKAV-UHFFFAOYSA-N	300.333	-1.217	70	10	DAIE	
C[C@@H](CNCC(N)=O)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1716453036	JAYZDGIBOUMGEK-LURJTMIESA-N	306.319	-1.134	70	10	DAIE	
CCOC(=O)NS(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2108155442	WWAPEXACWUBIFN-UHFFFAOYSA-N	319.336	-1.287	70	10	DAIE	
COC(=O)CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2258987832	WQIJNMUKBBELJW-ZCFIWIBFSA-N	304.321	-1.633	70	10	DAIE	
COC1CN(S(=O)(=O)N2CC[C@H](S(=O)(=O)F)C2)C1	2043670674	VGGPJFWHBCCDLD-QMMMGPOBSA-N	302.349	-1.065	70	10	DAIE	
CN(CC(=O)N1CCN(S(C)(=O)=O)CC1)[C@H](CN)C1CC1	160159186	GJZUZGFTMXLCBD-GFCCVEGCSA-N	318.443	-1.241	70	10	DAIE	
CO[C@@H]1O[C@H](CI)[C@@H](O)[C@H](O)[C@H]1O	34803086	MAZXJZHWRBSRKM-XUUWZHRGSA-N	304.080	-1.125	70	10	DAIE	
O=C(CCN1C(=O)CCC1=O)NC1CN(S(=O)(=O)F)C1	2284150566	KUTNUKJTOIPZRS-UHFFFAOYSA-N	307.303	-1.460	70	10	DAIE	
N#C[C@@H]1CCN(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)C1	2268779451	CITHYECGNWBKJC-ZETCQYMHSA-N	312.348	-1.435	70	10	DAIE	
CN1CCN(C)[C@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2287076270	IABOPVZCECEVTO-ZJUUUORDSA-N	308.379	-1.363	70	10	DAIE	
CO[C@]1(CNC(=O)C[C@H]2CS(=O)(=O)CCN2)CCOC1	160461535	BAQOCVYLCGZXPO-JQWIXIFHSA-N	306.384	-1.315	70	10	DAIE	
CS(=O)(=O)C1(C(=O)N2CCN(S(=O)(=O)F)CC2)CC1	1974014224	GNWGXCKVSWKLEE-UHFFFAOYSA-N	314.360	-1.078	70	10	DAIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CO[C@H]2COC[C@@H]12	1974054412	CPNFSHOFMGDTRW-AEJSXWLSSA-N	308.331	-1.090	70	10	DAIE	
CCOC(=O)CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271516875	UVBQFRMPYCAPBB-SSDOTTSWSA-N	318.348	-1.243	70	10	DAIE	
O=S(=O)(F)N1CC(CNS(=O)(=O)N2CC[C@@H](O)C2)C1	2108156632	GWGFFXXEKBVWPA-MRVPVSSYSA-N	317.364	-1.967	70	10	DAIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cc(O)nc(O)n1	2287072293	XGVGOPVIAMAXGG-RXMQYKEDSA-N	306.275	-1.094	70	10	DAIE	
NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1350015116	LDUGYVSKVBJPSI-XRGYYRRGSA-N	305.287	-1.266	70	10	DAIE	
NC(=O)N1CCN2C(=O)N(CCS(=O)(=O)F)C(=O)[C@H]2C1	1119348985	BZJPIIPLVDJMOE-ZCFIWIBFSA-N	308.291	-1.687	70	10	DAIE	
O=C(Cn1ccc(O)nc1=O)N1CC[C@H](S(=O)(=O)F)C1	2144732054	AZNNCWDGMOIDRW-ZETCQYMHSA-N	305.287	-1.151	70	10	DAIE	
O=C1C[C@@H](C(=O)NCC2CN(S(=O)(=O)F)C2)NC(=O)N1	1974059575	NPCXXJQJWPPHNM-LURJTMIESA-N	308.291	-2.153	70	10	DAIE	
CS(=O)(=O)CS(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	1941155442	JRYUNBSUQQBONO-LURJTMIESA-N	309.362	-1.308	70	10	DAIE	
O=S(=O)(F)[C@H]1CCN(S(=O)(=O)N2CCOCC2)C1	2028131650	WGUKUUXWLONJFX-QMMMGPOBSA-N	302.349	-1.063	70	10	DAIE	
C[C@@H](O)CNC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1715604745	YUFQZTCTXCWSOV-HTQZYQBOSA-N	323.346	-1.266	70	10	DAIE	
CN(C)C(=O)NCCNC(=O)C[C@@H]1CS(=O)(=O)CCN1	160850163	UJPJMKPQUMUGGA-SECBINFHSA-N	306.388	-1.850	70	10	DAIE	
CS(=O)(=O)CCS(=O)(=O)N1CC(S(=O)(=O)F)C1	2022198908	XJNXQKUKJHGUQJ-UHFFFAOYSA-N	309.362	-1.656	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CCCCS1(=O)=O	2268795116	HBNHCYXFVFCHFU-QMMMGPOBSA-N	314.360	-1.032	70	10	DAIE	
CC(C)NC(=O)[C@H]1COCCN1S(=O)(=O)[C@@H]1CCNC1	160520032	PYMXJKRPCCXQKD-GHMZBOCLSA-N	305.400	-1.097	70	10	DAIE	
O=C(CN1C(=O)CCC1=O)NC[C@H](O)Cn1ccccc1=O	218427882	XNUCIOJUKOICJV-JTQLQIEISA-N	307.306	-1.526	70	10	DAIE	
O=S(=O)(F)N1CC(NS(=O)(=O)N2CCC[C@@H]2CO)C1	2268781341	YXDWSAFIDJZXMF-MRVPVSSYSA-N	317.364	-1.824	70	10	DAIE	
CC1(O)CCN(CC(=O)N2CCN(S(C)(=O)=O)CC2)CC1	161215919	PZGUQYZWRFZCAB-UHFFFAOYSA-N	319.427	-1.063	70	10	DAIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2CCS2(=O)=O)[nH]1	1923174796	ZQGPYZKANKXAOM-RXMQYKEDSA-N	311.316	-1.374	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CCc2nncn2C1	2284150036	HVFWHYBPRZBLIT-SSDOTTSWSA-N	303.319	-1.145	70	10	DAIE	
CS(=O)(=O)CCS(=O)(=O)N1CC(CS(=O)(=O)F)C1	2078991197	USLCROPZLNAHHT-UHFFFAOYSA-N	323.389	-1.408	70	10	DAIE	
O=S(=O)(F)N1CC[C@@H](NS(=O)(=O)N2CC(O)C2)C1	2259000917	UBXSCVYOSQJBGK-ZCFIWIBFSA-N	303.337	-2.214	70	10	DAIE	
CS(=O)(=O)NCC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2258980326	DBKWWQWRXLAODO-ZCFIWIBFSA-N	303.337	-2.060	70	10	DAIE	
CN(CCNCC(N)=O)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1481281693	XKNOEWJHOIPDBQ-UHFFFAOYSA-N	306.319	-1.180	70	10	DAIE	
CC(C)NC(=O)[C@@H]1COCCN1S(=O)(=O)N1CCNCC1	160027213	CVTNJEBVGAEUPO-NSHDSACASA-N	320.415	-1.638	70	10	DAIE	
CC1(OCC(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)CNC1	161124810	NOWCOCAJXGYVCN-SNVBAGLBSA-N	320.415	-1.603	70	10	DAIE	
CO[C@@H]([SiH2]O[SiH3])C(OC)(OC)C(OC)(OC)OC	1848349854	QZUZAGBYMGIDGR-ZETCQYMHSA-N	300.456	-2.078	70	10	DAIE	
COC1CN(S(=O)(=O)N2CCN(S(=O)(=O)F)CC2)C1	2107409507	WTAPNRRSDNDKOU-UHFFFAOYSA-N	317.364	-1.606	70	10	DAIE	
CCNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(=O)[nH]c1	160302993	QGHAEXYVPRTVSB-SNVBAGLBSA-N	315.351	-1.100	70	10	DAIE	
O=C(NC[C@H](CO)NCCCO)c1cc(S(=O)(=O)F)c[nH]1	1717778282	YGJLJAOIXZQZPW-MRVPVSSYSA-N	323.346	-1.264	70	10	DAIE	
CNC(=O)[C@@H]1CNCCN1c1cnn(CCO)c(=O)c1Cl	159634940	OVDCZDMHICYPTE-VIFPVBQESA-N	315.761	-1.587	70	10	DAIE	
CCCNC(=O)[C@H]1COCCN1C(=O)C(=O)NCC(N)=S	159778827	MKYUJLKLVXDIJW-MRVPVSSYSA-N	316.383	-1.858	70	10	DAIE	
CC1(C)[C@@H]2OCC[C@H]2[C@]1(N)C(=O)NCCNS(C)(=O)=O	160160727	DUBQWVXECNEFSL-LNLATYFQSA-N	305.400	-1.206	70	10	DAIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1CCCS1(=O)=O	1974055578	SSOPPSUHIUVLFE-MRVPVSSYSA-N	314.360	-1.174	70	10	DAIE	
O=C(Cn1nc(O)ccc1=O)N1CC[C@@H](S(=O)(=O)F)C1	2144732900	KIVROOLOUUKGKX-SSDOTTSWSA-N	305.287	-1.151	70	10	DAIE	
O=S(=O)(NC1CCN(S(=O)(=O)F)CC1)c1nc[nH]n1	2122569228	CNDKPWNIDDHUEO-UHFFFAOYSA-N	313.336	-1.238	70	10	DAIE	
CNC(=O)[C@@H]1COCCN1C(=O)[C@@H](N)CCS(C)(=O)=O	159564113	BTVSQZOVJQPSDB-IUCAKERBSA-N	307.372	-2.278	70	10	DAIE	
CCNC(=O)[C@H]1COCCN1S(=O)(=O)N1CCNCC1	160026124	MIQHEJGYJXLREK-SNVBAGLBSA-N	306.388	-2.027	70	10	DAIE	
O=c1nc(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)[nH]o1	2116630030	MJUMMKHZJRWLDD-UHFFFAOYSA-N	308.659	-1.399	70	10	DAIE	
CCn1nnnc1Cn1cc(S(=O)(=O)Cl)c(O)nc1=O	698602018	JFNKPEUYSDGIFF-UHFFFAOYSA-N	320.718	-1.069	70	10	DAIE	
COC(=O)NS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2258988759	ZYABRLGMNNGGLG-RXMQYKEDSA-N	305.309	-1.535	70	10	DAIE	
Cn1nccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2271500908	OEZPMEVLXCUIGU-SSDOTTSWSA-N	312.348	-1.013	70	10	DAIE	
CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1c[nH]ccc1=O	160304302	USXYPGKGLNORRX-QMMMGPOBSA-N	301.324	-1.490	70	10	DAIE	
O=C(NC[C@@H](CO)NCCCO)c1cc(S(=O)(=O)F)c[nH]1	1717778283	YGJLJAOIXZQZPW-QMMMGPOBSA-N	323.346	-1.264	70	10	DAIE	
Cc1c(CN2CCNCC2)cc(B(O)O)cc1S(=O)(=O)F	1887515176	FBQVWXATQBKQOW-UHFFFAOYSA-N	316.163	-1.262	70	10	DAIE	
O=S(=O)(F)N1CC[C@@H](NS(=O)(=O)N2CC[C@@H](O)C2)C1	2271516694	OQCJGHPPNHDCBA-HTQZYQBOSA-N	317.364	-1.824	70	10	DAIE	
O=S(=O)(Cl)CCNS(=O)(=O)C1CS(=O)(=O)C1	1917923077	SJITZTWDNIHQQI-UHFFFAOYSA-N	311.790	-1.729	70	10	DAIE	
CN1CC(=O)N(CC(=O)N2CC[C@@H](S(=O)(=O)F)C2)C1=O	2144734006	WGNUMBVQYNALPT-SSDOTTSWSA-N	307.303	-1.219	70	10	DAIE	
Cc1c(CS(=O)(=O)F)cc(B(O)O)cc1N1CCNCC1	1887515223	NGOSUFPHKCNBNK-UHFFFAOYSA-N	316.163	-1.116	70	10	DAIE	
CNC(=O)[C@H]1COCCN1CCC(=O)N(C)CCC(N)=S	159819358	UPIFGYSDCBEKRW-SNVBAGLBSA-N	316.427	-1.042	70	10	DAIE	
Cc1c(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)cnn1C	2268804911	FWESHFIWFKMYFT-UHFFFAOYSA-N	312.348	-1.095	70	10	DAIE	
C[C@@H](O)CN[C@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1507240669	RJOJPYRDUZKQEK-SFYZADRCSA-N	323.346	-1.266	70	10	DAIE	
O=S(=O)(F)CC1CN(S(=O)(=O)N2CCC(O)CC2)C1	2134974272	CLSDKRHKEVWVFB-UHFFFAOYSA-N	316.376	-1.081	70	10	DAIE	
CC(=O)NC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1738397857	SLUNRKPKFJUJNP-SSDOTTSWSA-N	307.303	-1.100	70	10	DAIE	
CS(=O)(=O)[C@H]1C[C@H](C(=O)NC2CN(S(=O)(=O)F)C2)C1	2269762682	URUVAYBGKZPPNB-FKQCQYRASA-N	314.360	-1.176	70	10	DAIE	
O=C1C[C@@H](C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)NC(=O)N1	2287073989	AAJSINHHKIWTFF-WDSKDSINSA-N	308.291	-2.011	70	10	DAIE	
O=S(=O)(F)CC1CN(S(=O)(=O)N2CC[C@H](O)C2)C1	2078998871	YPBUFZUORXJBEU-QMMMGPOBSA-N	302.349	-1.471	70	10	DAIE	
Cn1cc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)F)C2)cn1	2271517733	ZMIKDMZLBVADMU-ZETCQYMHSA-N	312.348	-1.013	70	10	DAIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cnc(O)nc1O	2287070980	WHPYGFYJWKEBHE-RXMQYKEDSA-N	306.275	-1.094	70	10	DAIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2CCC(=O)NC2)[nH]1	1923160260	DZUVELOYIOKRCT-ZCFIWIBFSA-N	304.303	-1.035	70	10	DAIE	
O=C(NC1CC1)[C@@H]1COCCN1S(=O)(=O)N1CCNCC1	160026911	XWCXQHYKDZVVJB-NSHDSACASA-N	318.399	-1.884	70	10	DAIE	
Cn1nncc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271517936	VRKAPZQILOKKIL-LURJTMIESA-N	313.336	-1.618	70	10	DAIE	
CS(=O)(=O)C1(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CC1	2271502580	JTFASAVKTWLWAV-ZETCQYMHSA-N	314.360	-1.032	70	10	DAIE	
C[C@@H](O)CNC[C@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1715604756	YUFQZTCTXCWSOV-SFYZADRCSA-N	323.346	-1.266	70	10	DAIE	
COC(=O)NS(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2045263663	GFFNVMNPJOCKQW-UHFFFAOYSA-N	305.309	-1.581	70	10	DAIE	
O=C([C@H]1CCS1(=O)=O)N1CCN(S(=O)(=O)F)CC1	1974015580	VPBJJMKSKPYHLV-SSDOTTSWSA-N	300.333	-1.468	70	10	DAIE	
CCNC(=O)[C@H]1COCCN1C[C@H](NC(C)=O)C(=O)OC	160035072	JAFQKJKQMJBVFL-WDEREUQCSA-N	301.343	-1.499	70	10	DAIE	
CS(=O)(=O)NCC(=O)N1CCC[C@H](S(=O)(=O)F)C1	2028131590	VSFWWKHAVUXUFF-ZETCQYMHSA-N	302.349	-1.174	70	10	DAIE	
O=C1CC(CS(=O)(=O)NC2CN(S(=O)(=O)F)C2)C1	2256747611	NBDNNZAIZBAURE-UHFFFAOYSA-N	300.333	-1.217	70	10	DAIE	
CS(=O)(=O)CS(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2045936858	NJXJZOOHQGOOSC-UHFFFAOYSA-N	324.377	-1.946	70	10	DAIE	
O=C([C@@H]1Cc2nncn2C1)N1CCN(S(=O)(=O)F)CC1	1974015917	ZKKSMRHXBRGRRZ-MRVPVSSYSA-N	303.319	-1.191	70	10	DAIE	
O=S(=O)(F)N1CC(NS(=O)(=O)N2CCC[C@H]2CO)C1	2268805545	YXDWSAFIDJZXMF-QMMMGPOBSA-N	317.364	-1.824	70	10	DAIE	
CN1N=C(C(=O)N2CCN(S(=O)(=O)F)CC2)CCC1=O	1974000671	DQQXXHLTTSWJRL-UHFFFAOYSA-N	306.319	-1.047	70	10	DAIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1CN2CCN1CC2	2164430027	DSKWPVJUJLQNLB-JTQLQIEISA-N	306.363	-1.752	70	10	DAIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@]2(C)CNC(=O)C2)[nH]1	2172376359	DUCXRMXZMZRRKG-JTQLQIEISA-N	304.303	-1.035	70	10	DAIE	
O=S1(=O)CC(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)C1	2256745974	AZPOJBPVVRWQAQ-UHFFFAOYSA-N	322.361	-2.399	70	10	DAIE	
CN1CCN(c2cnn(CCO)c(=O)c2Cl)[C@H](CN)C1	159818662	WMKNDEPLVKWJNB-SECBINFHSA-N	301.778	-1.032	70	10	DAIE	
CN1CCO[C@@H](Cn2cc(S(=O)(=O)Cl)c(=O)[nH]c2=O)C1	215750828	QLHBXIXSEWTBGD-SSDOTTSWSA-N	323.758	-1.205	70	10	DAIE	
Cn1cnc(S(=O)(=O)NC[C@@H](O)Cn2ccccc2=O)c1	218477945	GQLKVERFVDZAQY-SNVBAGLBSA-N	312.351	-1.079	70	10	DAIE	
CS(=O)(=O)C1CC(C(=O)NC2CN(S(=O)(=O)F)C2)C1	2269769019	URUVAYBGKZPPNB-UHFFFAOYSA-N	314.360	-1.176	70	10	DAIE	
Cn1c(=O)ccn(CC(=O)N2CC(S(=O)(=O)F)C2)c1=O	1968215953	PVGRPRJFKKWNIQ-UHFFFAOYSA-N	305.287	-1.943	70	10	DAIE	
CS(=O)(=O)CS(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	1941155443	JRYUNBSUQQBONO-ZCFIWIBFSA-N	309.362	-1.308	70	10	DAIE	
CS(=O)(=O)CCS(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	2028127262	HMTUZQKXIUALTR-SSDOTTSWSA-N	323.389	-1.266	70	10	DAIE	
COC(=O)NS(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2258988760	ZYABRLGMNNGGLG-YFKPBYRVSA-N	305.309	-1.535	70	10	DAIE	
O=S(=O)(Cl)CCS(=O)(=O)c1ccc2nnnn2n1	122738412	DAISBHAMVRTDTD-UHFFFAOYSA-N	311.732	-1.138	70	10	DAIE	
CO[C@@]1(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2)CCOC1	160461400	BAQOCVYLCGZXPO-ZYHUDNBSSA-N	306.384	-1.315	70	10	DAIE	
CCOC(=O)CS(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2107403516	YGSAEOHPPHSMPU-UHFFFAOYSA-N	318.348	-1.289	70	10	DAIE	
CNC(=O)[C@H]1COCCN1S(=O)(=O)c1c[nH]ccc1=O	160304430	USXYPGKGLNORRX-MRVPVSSYSA-N	301.324	-1.490	70	10	DAIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1CCS1(=O)=O	2045939445	JZODFKMLJAWXHH-SSDOTTSWSA-N	300.333	-1.564	70	10	DAIE	
C[C@H](C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)S(C)(=O)=O	2258982424	ZIDXNCDXPPCVSA-RNFRBKRXSA-N	302.349	-1.176	70	10	DAIE	
O=C(Cn1ccc(O)nc1=O)NC1CN(S(=O)(=O)F)C1	2284152114	VRRURXRUYIYZDH-UHFFFAOYSA-N	306.275	-2.036	70	10	DAIE	
NC(=O)[C@H](N)CN1CCN(S(=O)(=O)c2ccccc2)CC1	216910213	APIMWBRPTMLHPH-GFCCVEGCSA-N	312.395	-1.195	70	10	DAIE	
CS(=O)(=O)NCC(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2258980325	DBKWWQWRXLAODO-LURJTMIESA-N	303.337	-2.060	70	10	DAIE	
CCNC(=O)[C@H]1COCCN1C(=O)C(=O)NCC(N)=S	159773551	HIZYVZDZOAFYOZ-SSDOTTSWSA-N	302.356	-2.248	70	10	DAIE	
O=C(CN1CSCC1=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271489622	RRJFMLJBSNGYAE-ZETCQYMHSA-N	311.360	-1.076	70	10	DAIE	
O=C(CN1C(=O)CNC1=O)N1CC(CCS(=O)(=O)F)C1	2199689908	OAFJTPMHYPRIBZ-UHFFFAOYSA-N	307.303	-1.314	70	10	DAIE	
COC(=O)CCS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2256723054	VMULKISBJWNYAD-UHFFFAOYSA-N	304.321	-1.633	70	10	DAIE	
CS(=O)(=O)CCC(=O)NCC1CN(S(=O)(=O)F)C1	2045937186	QKYZSQAZTJRWMZ-UHFFFAOYSA-N	302.349	-1.317	70	10	DAIE	
O=C(NC[C@@H](O)Cn1ccccc1=O)c1cc(=O)[nH]c(=O)[nH]1	218434745	HDJUVNGUBNCYKR-MRVPVSSYSA-N	306.278	-1.984	70	10	DAIE	
Cc1n[nH]c(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1CO	218010184	DJLUSUGJUIYNEI-SSDOTTSWSA-N	309.369	-1.324	70	10	DAIE	
C[C@H](O)CNC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1715604754	YUFQZTCTXCWSOV-JGVFFNPUSA-N	323.346	-1.266	70	10	DAIE	
CN1CCN(C)[C@@H](C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1	2287076261	IABOPVZCECEVTO-NXEZZACHSA-N	308.379	-1.363	70	10	DAIE	
CCS(=O)(=O)CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2258977521	BQDNAFHBMBPBCR-SSDOTTSWSA-N	302.349	-1.174	70	10	DAIE	
COCCc1c(C(=O)OC)nnn1[C@H]1CS(=O)(=O)C[C@H]1O	159856121	HKCSEFIIBBYOIX-DTWKUNHWSA-N	319.339	-1.416	70	10	DAIE	
CC(=O)N[C@@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1337862852	RZBSCUKISSRGRD-SSDOTTSWSA-N	307.303	-1.100	70	10	DAIE	
CCOC(=O)CS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2256746534	FAZWEFIDGJWBPT-UHFFFAOYSA-N	304.321	-1.633	70	10	DAIE	
COC1CN(S(=O)(=O)N2CC(CS(=O)(=O)F)C2)C1	2079001435	RZAYYEHAMVNNMW-UHFFFAOYSA-N	302.349	-1.207	70	10	DAIE	
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CC1(OCC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)CNC1	161119965	POAHBTBYZMLLGG-JTQLQIEISA-N	306.384	-1.627	70	10	DAIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cnc(O)nc1O	2287070984	WHPYGFYJWKEBHE-YFKPBYRVSA-N	306.275	-1.094	70	10	DAIE	
O=C(NC[C@@H](O)CNCCCO)c1cc(S(=O)(=O)F)c[nH]1	1320275854	XGVFOPHEHFONEM-QMMMGPOBSA-N	323.346	-1.264	70	10	DAIE	
COC(=O)CCCS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2268775890	YNKNBCTWMMURRB-UHFFFAOYSA-N	318.348	-1.243	70	10	DAIE	
CN1CC(=O)N(CC(=O)N2CC(CS(=O)(=O)F)C2)C1=O	2199698639	PNPCOXNZBKMCTN-UHFFFAOYSA-N	307.303	-1.362	70	10	DAIE	
COC(=O)[C@@H](C)S(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2108154317	OVZPDIRNYXRGEE-ZCFIWIBFSA-N	318.348	-1.387	70	10	DAIE	
CS(=O)(=O)CCC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2258986891	RWZHAXKUNZFAGS-SSDOTTSWSA-N	302.349	-1.174	70	10	DAIE	
Cn1cnc(S(=O)(=O)NCC2CN(S(=O)(=O)F)C2)c1	2108155113	UUXJCOBNCPBVEE-UHFFFAOYSA-N	312.348	-1.156	70	10	DAIE	
COCCNS(=O)(=O)Nc1nn(C)cc1S(=O)(=O)F	1923191876	JAIQRVQNIPSLAJ-UHFFFAOYSA-N	316.336	-1.029	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@@H]1CCn2ncnc2C1	2284149685	CLZJBHCEARBYPA-SSDOTTSWSA-N	303.319	-1.145	70	10	DAIE	
COC(=O)[C@H](C)S(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2107402735	ONVYCKGABDJCOS-ZETCQYMHSA-N	318.348	-1.290	70	10	DAIE	
O=C(NC[C@H](O)CNCCCO)c1cc(S(=O)(=O)F)c[nH]1	1320275850	XGVFOPHEHFONEM-MRVPVSSYSA-N	323.346	-1.264	70	10	DAIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@H]1CCS(=O)(=O)C1	2108159507	XFNHFKBFZOBBFF-QMMMGPOBSA-N	314.360	-1.317	70	10	DAIE	
CC1(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CS(=O)(=O)C1	2271497043	DEJQREYTUPHHEB-SSDOTTSWSA-N	314.360	-1.174	70	10	DAIE	
CN1CCO[C@@H](C(=O)N=c2[nH]n(C)cc2S(=O)(=O)F)C1	2187815576	OMDNNZXYRPFESS-SSDOTTSWSA-N	306.319	-1.231	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)C1[C@@H]2CS(=O)(=O)C[C@@H]12	2268795157	HPUORVFIWBAVKD-RNFRBKRXSA-N	312.344	-1.708	70	10	DAIE	
O=C([C@H]1CCCN1[C@@H]1CS(=O)(=O)C[C@H]1O)N1CCNCC1	217933117	SUARNVGZXBXHGY-IJLUTSLNSA-N	317.411	-1.960	70	10	DAIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)C2=NNC(=O)CC2)[nH]1	1923175525	LURORWDQSVYSBO-UHFFFAOYSA-N	303.275	-1.295	70	10	DAIE	
CCCNC(=O)[C@@H]1COCCN1[C@@H]1CS(=O)(=O)C[C@@H]1N	159873473	CZTTVQSNAAWHQH-GARJFASQSA-N	305.400	-1.662	70	10	DAIE	
NC(=O)[C@@H](N)CN1CCN(S(=O)(=O)c2ccccc2)CC1	216910185	APIMWBRPTMLHPH-LBPRGKRZSA-N	312.395	-1.195	70	10	DAIE	
O=S(=O)(F)[C@@H]1CCN(S(=O)(=O)N2CCOCC2)C1	2028131649	WGUKUUXWLONJFX-MRVPVSSYSA-N	302.349	-1.063	70	10	DAIE	
O=C(Cc1cc(O)nc(O)n1)NC1CN(S(=O)(=O)F)C1	2284149484	CVUQVJJHFJJRRW-UHFFFAOYSA-N	306.275	-1.555	70	10	DAIE	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cc(O)nc(O)n1	2287072294	XGVGOPVIAMAXGG-YFKPBYRVSA-N	306.275	-1.094	70	10	DAIE	
CNC(=O)[C@@H]1COCCN1S(=O)(=O)N1CCCNCC1	160026288	XIWZVUNXTJTQHK-JTQLQIEISA-N	306.388	-2.027	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1[C@@H]2CS(=O)(=O)C[C@@H]21	2268805126	HPUORVFIWBAVKD-JIGDXULJSA-N	312.344	-1.708	70	10	DAIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2CCC(=O)NC2)[nH]1	1923160259	DZUVELOYIOKRCT-LURJTMIESA-N	304.303	-1.035	70	10	DAIE	
O=S(=O)(F)CC1CN(S(=O)(=O)N2CCC[C@H]2CO)C1	2134974320	DBRWGYAUAHQPCT-VIFPVBQESA-N	316.376	-1.081	70	10	DAIE	
Cc1nnc(Cn2cc(S(=O)(=O)Cl)c(=O)[nH]c2=O)n1C	215924789	PCATVYONBFEYDY-UHFFFAOYSA-N	319.730	-1.051	70	10	DAIE	
O=S(=O)(F)CC1CN(S(=O)(=O)N2CC[C@@H](O)C2)C1	2078998869	YPBUFZUORXJBEU-MRVPVSSYSA-N	302.349	-1.471	70	10	DAIE	
Cn1nccc1S(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2108152780	DJAOOJXPMWWUFM-UHFFFAOYSA-N	312.348	-1.156	70	10	DAIE	
CCNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(=O)[nH]c1	160302866	QGHAEXYVPRTVSB-JTQLQIEISA-N	315.351	-1.100	70	10	DAIE	
O=C(CCn1cnnn1)NC1CCN(S(=O)(=O)F)CC1	1974394157	DVXMDSBFPWXPKB-UHFFFAOYSA-N	306.323	-1.142	70	10	DAIE	
CN1CCN(C)[C@H](C(=O)N2CCN(S(=O)(=O)F)CC2)C1	2163659482	SPWCQUWXJHDHRR-JTQLQIEISA-N	308.379	-1.409	70	10	DAIE	
CC1(C)[C@@H]2OCC[C@@H]2[C@]1(N)C(=O)NCCCS(N)(=O)=O	160428272	GXKYVRSGWHAQBE-SBMIAAHKSA-N	305.400	-1.076	70	10	DAIE	
CCNC(=O)[C@H]1COCCN1C(=O)[C@@H](N)CCS(C)(=O)=O	159531963	PAWQVBSCTJEDPO-VHSXEESVSA-N	321.399	-1.888	70	10	DAIE	
CCNC(=O)[C@@H]1COCCN1S(=O)(=O)c1c[nH]ccc1=O	160302297	IQKHIONEFZPTHU-VIFPVBQESA-N	315.351	-1.100	70	10	DAIE	
Cn1ncc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)F)C2)n1	2271515952	LJLURJMZKUWSPG-LURJTMIESA-N	313.336	-1.618	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CCc2nn[nH]c2C1	2284142039	LQOMUDINPSRYJW-LURJTMIESA-N	303.319	-1.076	70	10	DAIE	
Cn1nc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)ccc1=O	2287080216	QFCBRLJJFXIUJD-SSDOTTSWSA-N	304.303	-1.201	70	10	DAIE	
CCn1nnc(Cn2cc(S(=O)(=O)Cl)c(O)nc2=O)n1	2197874427	PODZBJUNYMPDDK-UHFFFAOYSA-N	320.718	-1.069	70	10	DAIE	
O=C(NC1CN(S(=O)(=O)F)C1)[C@H]1CCc2nncn2C1	2284150038	HVFWHYBPRZBLIT-ZETCQYMHSA-N	303.319	-1.145	70	10	DAIE	
CO[C@@]1(CNC(=O)c2n[nH]c(C)c2S(N)(=O)=O)CCOC1	161486526	BREJEBVGNYEAIT-LLVKDONJSA-N	318.355	-1.099	70	10	DAIE	
CC(C)NC(=O)[C@H]1COCCN1S(=O)(=O)N1CCNCC1	160027327	CVTNJEBVGAEUPO-LLVKDONJSA-N	320.415	-1.638	70	10	DAIE	
O=C(NCC1CN(S(=O)(=O)F)C1)[C@@H]1Cc2nncn2C1	2167749633	SOPDFKGCZLKADU-MRVPVSSYSA-N	303.319	-1.287	70	10	DAIE	
CS(=O)(=O)c1ccc(O)c(NC(=O)CNC(=O)CN)c1	160307478	BSURRAXQTWAQHM-UHFFFAOYSA-N	301.324	-1.191	70	10	DAIE	
Cn1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)F)c[nH]2)nn1	1587244336	SSDOFOCUEZIXEX-UHFFFAOYSA-N	316.274	-1.124	70	10	DAIE	
CS(=O)(=O)NCC(=O)N1CC(CCS(=O)(=O)F)C1	2079000451	GARGQUXQXMDWMW-UHFFFAOYSA-N	302.349	-1.317	70	10	DAIE	
N#CCN[C@@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1717777564	IDVNZYQFZWZZOA-SSDOTTSWSA-N	304.303	-1.123	70	10	DAIE	
CO[C@@]1(CNC(=O)C[C@H]2CS(=O)(=O)CCN2)CCOC1	160461649	BAQOCVYLCGZXPO-CMPLNLGQSA-N	306.384	-1.315	70	10	DAIE	
CCCNC(=O)[C@@H]1COCCN1S(=O)(=O)N(C)CCCN	159488372	FZGGTQVAEXSXSN-NSHDSACASA-N	322.431	-1.261	70	10	DAIE	
Cn1nccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2271500909	OEZPMEVLXCUIGU-ZETCQYMHSA-N	312.348	-1.013	70	10	DAIE	
COCCn1ncc(N2CCNC[C@H]2C(N)=O)c(Cl)c1=O	159626190	ORKZWUFUPSNZGT-VIFPVBQESA-N	315.761	-1.193	70	10	DAIE	
CS(=O)(=O)CS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2248476250	VPXXQESWNPVKFQ-UHFFFAOYSA-N	310.350	-2.194	70	10	DAIE	
COC(=O)CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1	2258987829	WQIJNMUKBBELJW-LURJTMIESA-N	304.321	-1.633	70	10	DAIE	
COCCNS(=O)(=O)NCC1CN(S(=O)(=O)F)C1	2045937471	TXIKCTKLYJKSAL-UHFFFAOYSA-N	305.353	-1.797	70	10	DAIE	
Cn1ncnc1Cn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	115204136	ZQMUYGZOHLFKKX-UHFFFAOYSA-N	305.703	-1.359	70	10	DAIE	
O=S1(=O)CC[C@@H](NS(=O)(=O)c2cnn(CCO)c2)C1	218008427	AGSXHBCBQUPDFN-MRVPVSSYSA-N	309.369	-1.659	70	10	DAIE	
CC(C)(C(=O)NC1CN(S(=O)(=O)F)C1)S(C)(=O)=O	2256749098	JLEJLWDOJDEGSA-UHFFFAOYSA-N	302.349	-1.176	70	10	DAIE	
CC(C)NC(=O)[C@@H]1COCCN1C(=O)C(=O)NCC(N)=S	159785109	JMYPFBITAJZNJN-QMMMGPOBSA-N	316.383	-1.859	70	10	DAIE	
COC(=O)[C@H](O)CNC(=O)C1CCN(S(C)(=O)=O)CC1	217690992	JEVZXIFJXYYLKU-SECBINFHSA-N	308.356	-1.692	70	10	DAIE	
Cn1cnc(S(=O)(=O)NC[C@H](O)Cn2ccccc2=O)c1	218477876	GQLKVERFVDZAQY-JTQLQIEISA-N	312.351	-1.079	70	10	DAIE	
COC(=O)[C@H](C)CS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2268783452	XPDKWGDPOHPPBO-ZCFIWIBFSA-N	318.348	-1.387	70	10	DAIE	
O=C(C[C@@H]1CS(=O)(=O)CCN1)NCCNC(=O)C1CC1	160776864	ZPZAKIQTQDWJGR-SNVBAGLBSA-N	303.384	-1.595	70	10	DAIE	
CNC(=O)[C@H]1COCCN1C(=O)C[C@@H]1CS(=O)(=O)CCN1	159569603	JDWGOCFBGJWYBL-NXEZZACHSA-N	319.383	-2.264	70	10	DAIE	
C[C@@H](C(N)=S)S(=O)(=O)N1CCOC[C@@H]1C(=O)NC1CC1	159787905	ITMPPWZREWHSMM-IONNQARKSA-N	321.424	-1.030	70	10	DAIE	
O=C(NCCNS(=O)(=O)[C@H]1CCS(=O)(=O)C1)C1CC1	160922987	IHTYPEWESSXIBA-VIFPVBQESA-N	310.397	-1.381	70	10	DAIE	
N#CCNC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1320272693	IWKYFQATGCSQOL-SSDOTTSWSA-N	304.303	-1.123	70	10	DAIE	
N#CCCNC(=O)Cn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	215924727	XCBHICLTCYWORU-UHFFFAOYSA-N	320.714	-1.506	70	10	DAIE	
Cn1cnc(S(=O)(=O)N2CCN(S(=O)(=O)F)CC2)c1	2107402177	GSQHDZLRJJIBBU-UHFFFAOYSA-N	312.348	-1.059	70	10	DAIE	
CNC(=O)[C@@H]1COCCN1S(=O)(=O)CCCC(=O)OC	159469860	VKCXWTHLKJCBDT-VIFPVBQESA-N	308.356	-1.284	70	10	DAIE	
O=C(NC1CCN(S(=O)(=O)F)CC1)[C@H]1CCS1(=O)=O	2112724297	HJFLBJHSNANAHT-MRVPVSSYSA-N	314.360	-1.032	70	10	DAIE	
NC(=S)CNC(=O)C(=O)N1CCOC[C@H]1C(=O)NC1CC1	159781603	VJSUVHFCKRASPP-QMMMGPOBSA-N	314.367	-2.105	70	10	DAIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)[C@@H]1CCS(=O)(=O)C1	2271496494	XVCXEUGCLMSONA-HTQZYQBOSA-N	314.360	-1.174	70	10	DAIE	
O=S(=O)(CCOCCF)NC1CN(S(=O)(=O)F)C1	2317741292	SIIGACXYSXGUOU-UHFFFAOYSA-N	308.328	-1.210	70	10	DAIE	
CS(=O)(=O)NCC(=O)NCC1CN(S(=O)(=O)F)C1	2045940774	SXZCQAKRTGQMDM-UHFFFAOYSA-N	303.337	-2.202	70	10	DAIE	
O=S(=O)(F)C1CN(S(=O)(=O)N2CCC[C@H]2CO)C1	2078988219	FMPODBVDIBKIGZ-ZETCQYMHSA-N	302.349	-1.329	70	10	DAIE	
N#CC1CN(S(=O)(=O)N2CCN(S(=O)(=O)F)CC2)C1	2108337785	BRSWPNWLGSRZAJ-UHFFFAOYSA-N	312.348	-1.482	70	10	DAIE	
CC(C)OC(=O)NS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2268771764	GJBVSMBAWNCCEB-UHFFFAOYSA-N	319.336	-1.146	70	10	DAIE	
CC1(C)[C@@H]2OCC[C@@H]2[C@]1(N)C(=O)NCCNS(C)(=O)=O	160160506	DUBQWVXECNEFSL-SBMIAAHKSA-N	305.400	-1.206	70	10	DAIE	
CCOC(=O)NS(=O)(=O)N1CCN(S(=O)(=O)F)CC1	2107403280	VJDIDTIQFVOYAB-UHFFFAOYSA-N	319.336	-1.191	70	10	DAIE	
CCNC(=O)CCn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O	215750729	SPNOVJIZPGZQAP-UHFFFAOYSA-N	309.731	-1.010	70	10	DAIE	
Cn1nc(C(=O)N2CCN(S(=O)(=O)F)CC2)ccc1=O	1974000635	DCUWHTROOBVAMV-UHFFFAOYSA-N	304.303	-1.248	70	10	DAIE	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)C1CS(=O)(=O)C1	2258978232	JMNVMGWJTHSZPJ-SSDOTTSWSA-N	300.333	-1.564	70	10	DAIE	
CS(=O)(=O)CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2258987257	TURMQSNVAHFOOO-ZCFIWIBFSA-N	324.377	-1.804	70	10	DAIE	
Cn1cc(Cn2cc(S(=O)(=O)Cl)c(=O)[nH]c2=O)nn1	236091843	LSCGVPFYFBYFGC-UHFFFAOYSA-N	305.703	-1.359	70	10	DAIE	
Cn1nc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)ccc1=O	2287080218	QFCBRLJJFXIUJD-ZETCQYMHSA-N	304.303	-1.201	70	10	DAIE	
NC(=S)CNC(=O)C(=O)N1CCOC[C@@H]1C(=O)NC1CC1	159781755	VJSUVHFCKRASPP-MRVPVSSYSA-N	314.367	-2.105	70	10	DAIE