smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c12	514300490	WPJPOXINDDWNCK-HXUWFJFHSA-N	547.603	3.958	0	20	KHAD	
CCOc1ccc(-n2c(S[C@H](C)C(=O)NC(=O)NC3CC3)nnc2-c2cc(OC)c(OC)c(OC)c2)cc1	514390176	AHUKAJAVWJCONS-OAHLLOKOSA-N	541.630	3.828	0	20	KHAD	
Cc1cc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)c3c(C)noc3n2)c(C)s1	514393441	AXCFIFRMCJHOMO-UHFFFAOYSA-N	597.719	3.986	0	20	KHAD	
Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)cc1	514291772	IHPIQMUQVNYZRA-UHFFFAOYSA-N	506.676	3.810	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2[C@@H](C)COC)c1	514303035	JHMRRCAAWUQEAY-SFHVURJKSA-N	577.729	3.931	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(SCC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)nc1	514303409	MICCEGLIXYLKTO-UHFFFAOYSA-N	504.556	3.820	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2cc(Cl)ccc2C)c(C(=O)OC)c1C	514380373	IUIGYOSPDBLOBZ-CQSZACIVSA-N	549.092	3.630	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)N(Cc1cccs1)C[C@@H]1CCCO1	514384598	WDBGIBGWTGFKHS-FQEVSTJZSA-N	520.673	3.518	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514395617	OOPIODRLUHYPSI-PGRDOPGGSA-N	541.699	3.870	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCO[C@@H](c2ccc(F)cc2)C1	514402831	RQDQNQVIDYXYFC-HXUWFJFHSA-N	500.514	3.845	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccccc3)n2C)c1	514293054	RGRNSGQTMPEGGL-QZTJIDSGSA-N	501.678	3.871	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cc(C)n([C@H]4CCS(=O)(=O)C4)c3C)n2[C@@H](C)COC)c1	514374571	WECNELNZYSXYNG-REWPJTCUSA-N	637.850	3.936	0	20	KHAD	
O=C([C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c2ccccc2O1)N1CCCCC1	514388554	PDUHNKDFICMOBA-QHCPKHFHSA-N	565.614	3.913	0	20	KHAD	
CCCCCn1c(CCC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)s2)nc2c1c(O)nc(=O)n2CCCC	514393384	YSRDIZQQDCRKBJ-UHFFFAOYSA-N	580.777	3.630	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nc2cc(Cl)ccc2c1=O	514404374	FISJOXSKCMLGIE-GOSISDBHSA-N	595.143	3.535	0	20	KHAD	
O=C(NNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)c1csc(N2CCOCC2)n1	12803599	LETZCKHTSXORRS-UHFFFAOYSA-N	500.005	3.985	0	20	KHAD	
CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	514290914	ADCQHSYAFAAMFS-UHFFFAOYSA-N	544.457	3.514	0	20	KHAD	
C[C@H](Sc1nc2cc(-c3ccccc3)sc2c(=O)n1CCN1CCOCC1)C(=O)NC(C)(C)C	514302692	QAQZZEMLGWGFTB-KRWDZBQOSA-N	500.690	3.853	0	20	KHAD	
O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514385077	ZJXIJXDBBLQYHW-RTWAWAEBSA-N	561.129	3.934	0	20	KHAD	
CCCNC(=O)CSc1nnc(SCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)s1	514386094	CVCHSLIJOXFIII-FQEVSTJZSA-N	510.707	3.923	0	20	KHAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	514404738	KOXADDDUTCPDAY-MRXNPFEDSA-N	593.500	3.565	0	20	KHAD	
COc1cccc(NCc2nnc(S[C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2C2CCCCC2)c1	514405817	ZYPIOCBCJZOTBR-PXNSSMCTSA-N	521.709	3.530	0	20	KHAD	
O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)/C(=C/c1cccs1)n1nnnc1-c1ccccc1	920745453	OZGFJHXWWZJNGA-HKWRFOASSA-N	500.005	3.643	0	20	KHAD	
CCCCn1c(CCC(=O)N2CCN(c3ccccc3OC)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514295292	BSLOSGWMRMRLQI-UHFFFAOYSA-N	553.729	3.911	0	20	KHAD	
C/C=C/c1ccc(OC[C@@H](O)CN2CCN(C[C@@H](O)COc3ccc(/C=C/C)cc3OC)CC2)c(OC)c1	514295323	DFBJHQCIJMVSOD-ADYDRQTISA-N	526.674	3.567	0	20	KHAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccccc2)c(O)nc1=O	514302080	ATQLNGVSUBSCHC-IBGZPJMESA-N	554.721	3.604	0	20	KHAD	
Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	514304768	ZEKMJHANVYJMMN-JTQLQIEISA-N	516.489	3.561	0	20	KHAD	
COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1	514379682	WPGGXZRQEVFHPM-UHFFFAOYSA-N	656.783	3.767	0	20	KHAD	
Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnsn1)CC2	1820730823	LAUYXURCJMERGI-CYBMUJFWSA-N	500.009	3.588	0	20	KHAD	
Cc1cccc(Cl)c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)nc3sccn13)CC2	1823414640	QFBIUGQRSVJPPQ-GFCCVEGCSA-N	500.005	3.714	0	20	KHAD	
CC[C@@H](O)c1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	2048528999	XKPLPNZCIVWPTP-MYVCOICNSA-N	616.715	3.972	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)ccc1OC	514304760	ZBRZUQBHPAYJNG-UHFFFAOYSA-N	567.730	3.940	0	20	KHAD	
CCCn1c(SCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)nc2ccc(C(F)(F)F)cc21	514375052	KOLJZAPDRNSHGX-UHFFFAOYSA-N	556.611	3.737	0	20	KHAD	
COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)CCC(=O)N2c2ccc(OC)cc2)cc1	514378740	WOSGSDQZUFNGMJ-FREGXXQWSA-N	609.701	3.856	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2nc(-c3cccs3)cs2)c1	514381503	HGKMXNOOZKYMIX-UHFFFAOYSA-N	506.675	3.991	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCO[C@@H](c3ccc(F)cc3)C1)n2CC	514402288	NLZRPTKXYQOFCQ-XMMPIXPASA-N	516.639	3.759	0	20	KHAD	
CCCCCn1c(SCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3	514405125	QCZYPUURGIQLTI-INIZCTEOSA-N	511.735	3.655	0	20	KHAD	
CCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1)c1c(O)nc(=O)n(CCC)c1N	514295108	IWFYGJWFXSBQMK-UHFFFAOYSA-N	569.684	3.538	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc(OC(F)(F)F)cc2)c(O)nc1=O	514295647	FUFBLYKGRQSASY-UHFFFAOYSA-N	513.517	3.638	0	20	KHAD	
Cc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c(Cl)c1	514297399	TWWBXZAMTDHAMY-UHFFFAOYSA-N	507.056	3.710	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1	514393469	CCAHLSJVYANYLT-FHWLQOOXSA-N	506.694	3.876	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2ccc(NC(=O)NC3CC3)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395001	ACECSFJFOVNQRN-UHFFFAOYSA-N	568.700	3.713	0	20	KHAD	
Cc1cc(C)cc(-c2nnc(SCC(=O)NCc3ccccc3S(=O)(=O)N3CCCCC3)o2)c1	514395949	XUYPOPJTKGGKGK-UHFFFAOYSA-N	500.646	3.937	0	20	KHAD	
COc1ccc(CN2CCCN(C(=O)CSc3nnc(-c4cccc(S(=O)(=O)N5CCCCC5)c4)o3)CC2)cc1	514395950	XVYYHYMTVPHEOP-UHFFFAOYSA-N	585.752	3.746	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)c(NC(=O)c2cc(C)on2)c1	514291140	CLLDHKOQQWZKOM-UHFFFAOYSA-N	527.647	3.601	0	20	KHAD	
O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514299880	JRFPFDWYCOXWSP-OALUTQOASA-N	565.783	3.739	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)nnc12	514302994	IECICYCKNBZTBM-ZWKOTPCHSA-N	537.642	3.600	0	20	KHAD	
C[C@@H](c1ccccc1)n1c(SCC(=O)NC(C)(C)C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	514374961	ISNBRENXJOLURV-IBGZPJMESA-N	543.715	3.582	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC1)n2CC	514380196	ZJYKSGXKQACRCX-UHFFFAOYSA-N	629.727	3.571	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514381961	XYZYVEGFXSZYDQ-UHFFFAOYSA-N	593.772	3.697	0	20	KHAD	
CCCCCn1c(S[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc2c1=O	514389045	XTKKJBNKVLVSCE-MRXNPFEDSA-N	537.107	3.727	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ccc(C(N)=O)cc3)n2[C@H](C)COC)c1	514390070	WXHXZPKEQSSEEY-QGZVFWFLSA-N	517.677	3.574	0	20	KHAD	
CC(C)Cn1c(CCC(N)=O)nnc1SC[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1	514400928	FLTPNFRRVXEQGL-NRFANRHFSA-N	504.603	3.889	0	20	KHAD	
CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	514401541	YNVVYWQECXJRCY-FQEVSTJZSA-N	562.486	3.907	0	20	KHAD	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCN(C(=O)c4ccccc4)CC3)CC2)c1C	514401703	CFAVRVIHNSFNCT-UHFFFAOYSA-N	511.688	3.696	0	20	KHAD	
CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3cccc(Br)n3)C[C@H]3C[C@H]32)c2ccc(-c3cnc(C)nc3)cc12	1857792705	JLRVDNFYMDBUJT-YHYVQYDKSA-N	574.439	3.790	0	20	KHAD	
NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1	8885128	OOUJYGIPJWSBSN-UHFFFAOYSA-N	500.005	3.966	0	20	KHAD	
O=C(CSc1nnc(-c2ccccc2Br)o1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	514302553	GKQGALGTAUPHSX-HNNXBMFYSA-N	514.467	3.940	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)nnc12	514302992	IECICYCKNBZTBM-QZTJIDSGSA-N	537.642	3.600	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1cccc(C(F)(F)F)c1	514377334	RKBCIYDMYGADEZ-UHFFFAOYSA-N	504.552	3.856	0	20	KHAD	
CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)sc(C(=O)NC)c1C	514390769	UWRHJSWPXGQTPB-UHFFFAOYSA-N	535.688	3.557	0	20	KHAD	
COCCn1c(S[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)nc2scc(-c3ccccc3Cl)c2c1=O	514395673	QBVGYFGLTYSNIJ-GJZGRUSLSA-N	535.091	3.629	0	20	KHAD	
O=C(Nc1cc(Br)ccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	514300300	NOOQTSIQACYCBR-UHFFFAOYSA-N	544.418	3.603	0	20	KHAD	
CCn1c(CCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376772	GNHWEMJJJWUNHC-UHFFFAOYSA-N	577.711	3.633	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)n2CC	514382111	GQIOALVSDRHDNH-UHFFFAOYSA-N	563.746	3.735	0	20	KHAD	
C[C@H](Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	514395453	LADVHKJMXAUHAK-CVDCTZTESA-N	529.663	3.601	0	20	KHAD	
CN(Cc1nc2ccccc2s1)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1	514404153	AGFJRHVWUYBAHX-HXUWFJFHSA-N	501.674	3.786	0	20	KHAD	
CCOc1ccc(-n2c(S[C@H](C)C(=O)N(CC)[C@H]3CCS(=O)(=O)C3)nnc2-c2cccc(OC)c2)cc1	514405204	RURICSNINOTALH-NQIIRXRSSA-N	544.699	3.858	0	20	KHAD	
CCCCCn1c(SCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)nc2cc(Cl)ccc2c1=O	514405781	ZDGKGFVAIVJXJF-QGZVFWFLSA-N	538.095	3.835	0	20	KHAD	
CCc1cc[n+](/C(C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)=C(/O)c2ccc(CCNS(C)(=O)=O)cc2)cc1	912842437	FINIACMWWCMFOD-PMVMPFDFSA-O	500.710	3.618	0	20	KHAD	
O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514375527	ROGFIDHZQRZUQO-UHFFFAOYSA-N	578.717	3.773	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	514377755	HZXCIXGVWJCMQC-SQJMNOBHSA-N	533.647	3.538	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)N(Cc1cccs1)C[C@H]1CCCO1	514384599	WDBGIBGWTGFKHS-HXUWFJFHSA-N	520.673	3.518	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1	514387958	KIVJOHPDAJSOPF-WMZOPIPTSA-N	520.076	3.614	0	20	KHAD	
Cc1cccc(C)c1OCc1nnc(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1-c1ccccc1	514296996	QIZFYMNMXGKCIY-ZEQRLZLVSA-N	570.737	3.750	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)nc2cc(S(=O)(=O)N(C)C)ccc21	514379454	VBXJEBURBOKELC-UHFFFAOYSA-N	514.604	3.589	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)NCC(=O)Nc3cc(C)ccc3OC)n2CC)cc1	514381661	NBHMLYIBLIHPPL-UHFFFAOYSA-N	510.664	3.975	0	20	KHAD	
Cn1c(CCC(=O)NCc2ccc(OC(F)(F)F)cc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514391261	FOGBFMXYUROZFI-UHFFFAOYSA-N	524.565	3.896	0	20	KHAD	
CCOc1c(Br)cc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1OC	514294790	BAZBQNSZMHSXDC-UHFFFAOYSA-N	552.447	3.630	0	20	KHAD	
CCOc1ccc(NS(=O)(=O)c2cc(OC)c(OC)cc2Br)cc1S(=O)(=O)N(CC)CC	514299176	BOKFQOSYWWLMTK-UHFFFAOYSA-N	551.481	3.696	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c12	514300489	WPJPOXINDDWNCK-FQEVSTJZSA-N	547.603	3.958	0	20	KHAD	
Cc1c(Cl)cccc1NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514380621	QHKKCPLZKVBQHN-UHFFFAOYSA-N	507.056	3.710	0	20	KHAD	
Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2nc3n(c(=O)c12)CCCCC3	514379057	NHBUYFCXTDJXCU-UHFFFAOYSA-N	500.646	3.920	0	20	KHAD	
CCN1CCc2c(sc3nc(S[C@H](C)C(=O)NCC(F)(F)F)n(-c4cccc(OC)c4)c(=O)c23)C1	514382693	ARKHVJRRAZIMCW-CYBMUJFWSA-N	526.606	3.993	0	20	KHAD	
CCOc1ccc(Oc2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1	514385615	OCDLNBXNLSUVTL-SFHVURJKSA-N	524.661	3.671	0	20	KHAD	
COc1ccc(COC[C@H](O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1OC	514388442	YJPSPTIEKDADRG-SFTDATJTSA-N	503.596	3.950	0	20	KHAD	
CCOCCCn1c(SCC(=O)NCc2ccccc2CN2CCOCC2)nc2cc(Cl)ccc2c1=O	514392557	YTWBHBNFWZTVQV-UHFFFAOYSA-N	545.105	3.717	0	20	KHAD	
COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CCCN(C(C)=O)C1	514404347	DMFYZXVTDVXQKV-HXUWFJFHSA-N	515.632	3.859	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1	514292876	NSKCQEVNGOQPRA-UHFFFAOYSA-N	565.714	3.695	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCc3ccccc3OC)n2[C@H](C)COC)c1	514296461	MCKTYHBBDOMIHI-HXUWFJFHSA-N	575.757	3.643	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(Nc2cccc(F)c2)s1)c1c(O)nc(=O)n(CC(C)C)c1N	514385054	YKLJNYBIIIYIDV-UHFFFAOYSA-N	521.644	3.847	0	20	KHAD	
Cc1c(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)sc2nc3n(c(=O)c12)CCCCC3	514393487	CLSFSIJTJQQYMC-UHFFFAOYSA-N	510.645	3.562	0	20	KHAD	
Oc1nc(CSc2nnc(O)n2C[C@H]2CCCO2)nc2c(Br)cc(Br)cc12	514405244	SXFXDJZERVMJSE-SECBINFHSA-N	517.203	3.629	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3snnc3C3CC3)sc2C1)c1cn2cc(Cl)ccc2n1	1817835416	QTIHEQHYVJCGIZ-GFCCVEGCSA-N	500.009	3.713	0	20	KHAD	
Cc1ccccc1CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1	514299361	MMWPCORJLNYELB-UHFFFAOYSA-N	509.594	3.759	0	20	KHAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)NC[C@H](c3ccccc3)N(C)C)nc(=O)c2c1C	514380341	IBCKTJPUVJUACJ-QGZVFWFLSA-N	502.662	3.512	0	20	KHAD	
O=C(CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)N1CCN(c2cccc(Cl)c2)CC1	514394718	ZUYRGNFGCNLQHA-NRFANRHFSA-N	505.088	3.542	0	20	KHAD	
CO[C@H](/C=C/c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C)C[C@H](CC(=O)O)OC	2048532183	MUUUJCAQCBDYAP-MCBHFWOFSA-N	509.600	3.710	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccccc1C(=O)N1CCCCC1	514293441	UMVQGVLEPLJLOZ-UHFFFAOYSA-N	515.632	3.513	0	20	KHAD	
COc1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1S(=O)(=O)Nc1cc(C)ccc1Br	514302202	MOCCAJDQHPHEBE-UHFFFAOYSA-N	579.473	3.760	0	20	KHAD	
CCc1ccc(OCc2nnc(SCC(=O)NC3CCN(C(C)=O)CC3)n2Cc2ccccc2)cc1	514303383	LMGILZFWTDFGKJ-UHFFFAOYSA-N	507.660	3.687	0	20	KHAD	
COCCn1c(SCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)nnc1-c1ccncc1	514375265	OEVGLYDIJVMAJD-NRFANRHFSA-N	501.056	3.685	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(Br)cc3)CC2)c(C(=O)OC)c1C	514378891	YSVQOMXNLSKQPM-CQSZACIVSA-N	587.514	3.670	0	20	KHAD	
O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCc1ccc(C(=O)N2CCCCC2)cc1	514388389	SIYLBQBMANOGIC-UHFFFAOYSA-N	517.957	3.580	0	20	KHAD	
O=C1CSc2ncc(C(=O)N[C@H]3CCc4nc(NC(=O)c5ccccc5Cl)sc4C3)cc2N1	1821889261	AANPRPGGRCYNBK-LBPRGKRZSA-N	500.005	3.775	0	20	KHAD	
CCOC(=O)c1oc2ccccc2c1CSc1nnc([C@H](CC)N(C)C)n1CCN1CCOCC1	514294330	WODZRXOLIZJTEC-FQEVSTJZSA-N	501.653	3.838	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(Br)ccc1F	514295644	FRUZVHZOTSYCLF-UHFFFAOYSA-N	501.374	3.649	0	20	KHAD	
CCCCCN(C(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1)c1c(O)nc(=O)n(CCCC)c1N	514296173	QDZMAMGHUMHDPP-SFHVURJKSA-N	503.669	3.923	0	20	KHAD	
CCN(Cc1nc(O)c2ccccc2n1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	514298628	CZPRQHCCJQXUET-UHFFFAOYSA-N	508.644	3.664	0	20	KHAD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3ccc(S(=O)(=O)N[C@@H]4CCS(=O)(=O)C4)cc3)cc2C1	514383426	DLNAROVYRPABNZ-SJLPKXTDSA-N	510.703	3.617	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccc(C)cc3)CC2)cc1	514389227	DDHISXGXOAUBRT-VWLOTQADSA-N	514.644	3.798	0	20	KHAD	
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN2CCC(C(=O)N3CCCC3)CC2)cc1OC	514391769	QHQWTSJWRMIYLH-JOCHJYFZSA-N	510.660	3.777	0	20	KHAD	
CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1cccc(OC)c1OC	514404874	LVFVKTUBHQUYSW-UHFFFAOYSA-N	505.637	3.508	0	20	KHAD	
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1	514291655	HTFITROHKVDFEU-UHFFFAOYSA-N	515.529	3.721	0	20	KHAD	
CC(=O)Nc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2CCCN(C)C)CCCC4)cc1	514292269	LCSWQLPAKWFACB-UHFFFAOYSA-N	513.689	3.978	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(-c2ccncc2)o1	514385200	CEFCDTNLDSBWQD-UHFFFAOYSA-N	517.633	3.824	0	20	KHAD	
COC(=O)c1sc2[nH]c(CSc3nnc(CN4CCCC4)n3Cc3ccccc3)nc(=O)c2c1C	514291444	GCOVQHKCFQMBDT-UHFFFAOYSA-N	510.645	3.608	0	20	KHAD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	514295680	MGNJDVMXRQEVNE-UHFFFAOYSA-N	639.388	3.510	0	20	KHAD	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)cc2)C1	514388354	XLNRSFYWFYOUBG-OALUTQOASA-N	527.643	3.573	0	20	KHAD	
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)CCOc1ccc(Br)cc1	514390094	XOJIOVKVNBKISY-UHFFFAOYSA-N	500.319	3.992	0	20	KHAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)n2C)CC1	514403889	SLZCQTZAAPUAPL-UHFFFAOYSA-N	513.067	3.627	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(-c4csc(C)n4)cc3)CC2)cc1OC	514404836	OHADXHUPWQGBSL-UHFFFAOYSA-N	529.684	3.895	0	20	KHAD	
COc1cc(-c2nnc(SCC(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)o2)cc(OC)c1OC	514291759	IATAWRSJOHHBQA-UHFFFAOYSA-N	502.593	3.649	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1	514374417	BQUPMJGMSAAYDW-SFHVURJKSA-N	535.717	3.947	0	20	KHAD	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1S(=O)(=O)N1CCCCC1	514377641	CWYHVLIEVRIVRM-UHFFFAOYSA-N	589.658	3.928	0	20	KHAD	
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1CN1CCOCC1	514384502	UCQNTCMJAXKBFQ-JOCHJYFZSA-N	510.487	3.994	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1	514403430	VHEKIIYNGMUMEG-IEBWSBKVSA-N	502.637	3.898	0	20	KHAD	
Cn1c(CCC(=O)NC[C@@H](c2ccccc2)N2CCCC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514291211	AZNRSCXEEDJNJQ-SANMLTNESA-N	523.703	3.634	0	20	KHAD	
O=C(Cn1cc(I)c(=O)c(I)c1)N1CCC(Cc2ccccc2)CC1	514295332	DKZBHRJKIVRIMT-UHFFFAOYSA-N	562.189	3.539	0	20	KHAD	
COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1	514383536	KVRSECMZFHGZKV-MBSDFSHPSA-N	524.643	3.971	0	20	KHAD	
Cc1cc(C)c2c(NC(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)c(C(=O)N3CCOCC3)sc2n1	514389911	RBVUOZKUTRKXIE-UHFFFAOYSA-N	560.673	3.564	0	20	KHAD	
CC(C)[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1	514403170	WIAFHCIVQSWWIY-XXBNENTESA-N	520.080	3.793	0	20	KHAD	
Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)N3CCN(Cc4cc(C)on4)CC3)cc2Cl)n1	520128873	UXIXIIIDSNRNIW-GOSISDBHSA-N	500.003	3.999	0	20	KHAD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1	514297553	ULVXXUZDXQDKMR-UHFFFAOYSA-N	633.667	3.536	0	20	KHAD	
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	514382132	HHMWTIPRODGSGX-UHFFFAOYSA-N	509.047	3.579	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1c(O)nc(=O)n(CCC)c1N	514383985	OKWGGJNCOMGPNI-UHFFFAOYSA-N	536.662	3.941	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3snnc3C3CC3)sc2C1)c1cn2c(Cl)cccc2n1	1817834959	FNYLXIOSUQIQLE-NSHDSACASA-N	500.009	3.713	0	20	KHAD	
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)N2CCCC2)cc1	514299291	JXLATHXBOOLJFG-MHZLTWQESA-N	511.688	3.538	0	20	KHAD	
CC(C)n1ncc2c(C(=O)N3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)cc(C3CC3)nc21	514300508	XGLZUFBPWLOMCJ-UHFFFAOYSA-N	532.464	3.799	0	20	KHAD	
O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1	514300838	SAFZNXFRFCAOKO-SFHVURJKSA-N	506.049	3.737	0	20	KHAD	
CCn1c(CCC(=O)NCCc2ccc(-c3csc(C)n3)s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514390012	VDYVTFPOZNIQBQ-UHFFFAOYSA-N	573.766	3.862	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1	514393470	CCAHLSJVYANYLT-GBESFXJTSA-N	506.694	3.876	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(-c2cccnc2)n1C1CC1	514402566	CRDOZEOUJBAGBN-UHFFFAOYSA-N	542.687	3.979	0	20	KHAD	
COc1ccc(NC(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)cc1S(=O)(=O)N1CCCCC1	514402911	SUGNUMVLEHPHIS-UHFFFAOYSA-N	516.645	3.640	0	20	KHAD	
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl	514297243	RAOMACVDWLMFHD-IVZQSRNASA-N	592.542	3.882	0	20	KHAD	
Cc1noc(C)c1S(=O)(=O)N1CCCN([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1	514390846	WKXVBOGKUNWAIJ-CYBMUJFWSA-N	508.950	3.687	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(O)nc1=O	514392827	DHSKVONTVVPDLG-UHFFFAOYSA-N	534.539	3.788	0	20	KHAD	
O=C(O)CN(CCNS(=O)(=O)c1nc2ccccc2s1)C(=O)Cn1cnc2ncnc(NC(=O)OC(c3ccccc3)c3ccccc3)c21	1857776052	QTIABLRLOIYMNF-UHFFFAOYSA-N	700.759	3.666	0	20	KHAD	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)c2)C[C@H](C)O1	514377518	YUMHPZXHXGQXQM-IRXDYDNUSA-N	531.034	3.993	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1S(=O)(=O)N(CC)CC	514377662	DLGDEIBBFGYONM-UHFFFAOYSA-N	507.638	3.718	0	20	KHAD	
COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)CCC(=O)N2c2ccc(OC)cc2)cc1	514378745	WOSGSDQZUFNGMJ-YZNIXAGQSA-N	609.701	3.856	0	20	KHAD	
COc1ccc(-c2nc(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cs2)cc1OC	514378885	JKEJVNCFZFTJDT-IRXDYDNUSA-N	531.656	3.806	0	20	KHAD	
CCn1c(SC[C@H](O)COc2ccc(C)cc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514379648	BSHSMMMEINVIGN-HXUWFJFHSA-N	502.662	3.590	0	20	KHAD	
CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3ccc(S(=O)(=O)N[C@H]4CCS(=O)(=O)C4)cc3)cc2C1	514383428	DLNAROVYRPABNZ-WMZOPIPTSA-N	510.703	3.617	0	20	KHAD	
CC(C)[C@H](Sc1nc2ccccc2c(=O)n1CCC1=CCCCC1)C(=O)N[C@H]1CCS(=O)(=O)C1	514403416	UXVZEZZYPZKIRM-UGKGYDQZSA-N	503.690	3.707	0	20	KHAD	
COCCn1c(S[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2sc3c(c2c1=O)CCCC3	514292562	LSFKNPQSVUNSGI-QGZVFWFLSA-N	553.710	3.900	0	20	KHAD	
CCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1-c1ccc(OC)cc1	514292968	OCBAPPQLTUWTHR-UHFFFAOYSA-N	545.687	3.506	0	20	KHAD	
O=C(CN1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1)Nc1ccc(OC(F)(F)F)cc1	514300743	SRBWBUGGWCINFS-INIZCTEOSA-N	522.351	3.888	0	20	KHAD	
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)CC2	514386881	HLGISQCAQXLTAI-FIPFOOKPSA-N	512.672	3.610	0	20	KHAD	
C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	514388453	TZXFUKOTGOJIDT-OAHLLOKOSA-N	500.468	3.890	0	20	KHAD	
O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	514391497	JQCGRJSIEMGLGE-UHFFFAOYSA-N	527.624	3.556	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)C[C@H](NC(C)=O)c2cccs2)c1	514393150	PLRCUPXXASCGPD-NRFANRHFSA-N	506.694	3.975	0	20	KHAD	
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)c1	514404348	CQQZPCSRWZSADA-UHFFFAOYSA-N	535.688	3.603	0	20	KHAD	
O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514299657	IYDHKSIETPAPDJ-UHFFFAOYSA-N	524.093	3.620	0	20	KHAD	
Cc1c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)sc2nc3n(c(=O)c12)CCCCC3	514376374	JKWHHVUAXLMEHR-UHFFFAOYSA-N	585.752	3.756	0	20	KHAD	
COc1cccc(NC(=O)[C@H](Sc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)c2ccccc2)c1	514392881	GJZBMNJXFPXMCS-XZOQPEGZSA-N	509.632	3.774	0	20	KHAD	
Cn1c(=O)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(Cl)s2)CC3)nc2ccccc21	1818378556	WRKRUJIWNXJCNZ-NSHDSACASA-N	500.005	3.645	0	20	KHAD	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	2382215051	HJDZOFSHRWNYIO-XMZZPRPSSA-N	753.919	3.530	0	20	KHAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)c(O)nc1=O	514295696	JQBMUTFEVYXOAU-QHCPKHFHSA-N	589.784	3.964	0	20	KHAD	
CC(=O)NCCc1ccc(-c2csc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)s3)n2)cc1	514300322	OQQYBQVAIXPOJX-UHFFFAOYSA-N	532.713	3.906	0	20	KHAD	
C[C@@H]1CCCN(c2nnc(SCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)n2Cc2ccco2)C1	514302495	FURWOFPUJWWFTG-OAHLLOKOSA-N	524.068	3.943	0	20	KHAD	
C[C@H](Sc1nnc(C[C@H](C)c2ccccc2)o1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514376453	MINOUODUHZWFHB-ROUUACIJSA-N	516.645	3.556	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514379417	SOHBANCFJPNGSR-UHFFFAOYSA-N	580.943	3.581	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N(C)Cc2ccc(Br)s2)cc1	514381913	BGYWWIIXUPAEBO-QGZVFWFLSA-N	521.524	3.968	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2OC)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514395310	HQALROBFOPVEFR-KRWDZBQOSA-N	545.687	3.886	0	20	KHAD	
CC(C)COC[C@@H](O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1	514402325	OHEVKSHUMHOKQY-HSZRJFAPSA-N	552.763	3.987	0	20	KHAD	
O=C(c1nccnc1-c1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1	622659232	PRQDAHGMFHLCHK-UHFFFAOYSA-N	500.005	3.553	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CSc2nnc(C)n2-c2ccccc2OC)c1	514293176	RLJSCOVXWWRLIS-UHFFFAOYSA-N	558.730	3.946	0	20	KHAD	
C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514375470	RCVQCTNELXQLLE-HXUWFJFHSA-N	636.747	3.995	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)n2CC	514386300	JUNXNPQKROCJKK-OAHLLOKOSA-N	514.631	3.753	0	20	KHAD	
COc1cc(OC)cc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)c2nccn2C)c1	514389836	OOTSMZWTLODEPL-HSZRJFAPSA-N	582.601	3.642	0	20	KHAD	
Cc1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)nc5sccn45)sc3C2)c1Cl	1821156789	IPYMAIPWAKREML-LBPRGKRZSA-N	500.005	3.714	0	20	KHAD	
CCCSc1nc(N(N=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@H]4OC(C)(C)O[C@H]43)c2n1	2048531908	MJHHPXKJIYQZEH-FYEBJQQMSA-N	591.641	3.888	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514291119	CFUYYNMCGLMMDB-UHFFFAOYSA-N	644.738	3.756	0	20	KHAD	
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCN(C(=O)c2ccc(Br)cc2)CC1	514301075	UJWIEBHZSZOCQA-UHFFFAOYSA-N	520.449	3.725	0	20	KHAD	
CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCC(C)C)CCCC3)[C@H]1CCS(=O)(=O)C1	514376038	AEFPAYCSWYMNHP-INIZCTEOSA-N	511.735	3.511	0	20	KHAD	
COc1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1S(=O)(=O)N1CCCCCC1	514378020	CHMUMOIJAQTXQK-UHFFFAOYSA-N	501.026	3.569	0	20	KHAD	
O=c1cc(CNc2cc(S(=O)(=O)N3CCCCCC3)ccc2OCC(F)(F)F)nc2sccn12	514383158	ZMWAABCCDCTORN-UHFFFAOYSA-N	516.567	3.874	0	20	KHAD	
CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCC(NC(=O)c2ccccc2)CC1	514391552	LGPQGHREDNKQKJ-FQEVSTJZSA-N	544.526	3.814	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCCN(C)c3ccccc3)n2[C@@H](C)COC)c1	514392078	TVHFBDVKPZWEFG-QFIPXVFZSA-N	588.800	3.918	0	20	KHAD	
Cc1cc(N(C(=O)c2ccc(F)nc2F)[C@H](C(=O)NCC2CC2)C2=NO[C@@H]3OCC[C@H]23)ccc1OC1CCOCC1	2088606492	YTGOBFFQXAGZCF-RFXFAHINSA-N	570.593	3.516	0	20	KHAD	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3nnn(OCc4nnc(-c5ccccc5Br)o4)c3c2)C1	514293754	WVXKAGPQXPGOSF-GASCZTMLSA-N	547.435	3.539	0	20	KHAD	
COc1cc2c(cc1OC)CN(C(=O)C1CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC1)CC2	514295049	IBGWITMFGSJRMH-UHFFFAOYSA-N	513.443	3.996	0	20	KHAD	
CCCC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc3ccc(S(=O)(=O)N(CC)CC)cn23)cc1	514303435	NCARGPCQCXXCQE-INIZCTEOSA-N	503.650	3.862	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1	514377341	RORBTBOQIXGKLR-UHFFFAOYSA-N	543.733	3.533	0	20	KHAD	
CCCN(C(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1	514395519	MMEPWEMQCNDNDZ-IEBWSBKVSA-N	544.139	3.771	0	20	KHAD	
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	514293410	UPWBWXNHUDTNKE-HXUWFJFHSA-N	531.725	3.947	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)Nc1ccc(S(=O)(=O)Nc3nccs3)cc1)n2CC(C)C	514296645	OKHAVTKIVJBGLK-UHFFFAOYSA-N	573.701	3.583	0	20	KHAD	
O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1c(I)cc(I)cc1I	514301935	INVDMKHXHDAITR-UHFFFAOYSA-N	679.034	3.694	0	20	KHAD	
CCN1CCc2c(sc3nc(S[C@@H](C)C(=O)NCC(F)(F)F)n(-c4cccc(OC)c4)c(=O)c23)C1	514382694	ARKHVJRRAZIMCW-ZDUSSCGKSA-N	526.606	3.993	0	20	KHAD	
CC(C)c1ccc(CN2CCN(C(=O)C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)CC2)cc1	514392236	SSBJPLGEIPDQFH-UHFFFAOYSA-N	515.584	3.827	0	20	KHAD	
COc1ccc([C@@H](CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)N2CCOCC2)cc1	514393046	LVTJJHJSAYBXAV-XMMPIXPASA-N	519.564	3.756	0	20	KHAD	
Cc1cc(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c(C)n1[C@@H]1CCS(=O)(=O)C1	514403575	NRCNQOSYHRSJRY-MRXNPFEDSA-N	509.451	3.987	0	20	KHAD	
Cn1nccc1-c1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccncn2)CC3)sc1Cl	1816061092	NLIABUFEUIFKGS-LLVKDONJSA-N	500.009	3.588	0	20	KHAD	
COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC	514378899	YWGNRXYMZIOLKT-UHFFFAOYSA-N	502.511	3.771	0	20	KHAD	
CC(C)n1ncc2c(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)cc(C3CC3)nc21	514381570	JOECJFDYJNLLEI-UHFFFAOYSA-N	538.674	3.763	0	20	KHAD	
CC[C@@H](C)[C@H](NC(=O)CN(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C)C(=O)OC	514386939	ACTLINKDUKAWEL-WRHNGFHOSA-N	524.662	3.503	0	20	KHAD	
Cn1c(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)nnc1-c1ccc(Cl)cc1	514389517	IASVJQDRVUYYJK-UHFFFAOYSA-N	532.091	3.992	0	20	KHAD	
Cc1ccc(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)cc1S(=O)(=O)N1CCCCC1	514394249	KOYCKYRXDLAGAC-JOCHJYFZSA-N	500.621	3.722	0	20	KHAD	
CCCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1	514395016	ARXLTHMDHYFRCT-CTNGQTDRSA-N	513.685	3.660	0	20	KHAD	
COC(=O)CCCCCn1c(SC[C@@H](O)COCc2ccc(OC)c(OC)c2)nc2ccccc2c1=O	514401356	VCRDLFUKPWHWLS-FQEVSTJZSA-N	530.643	3.817	0	20	KHAD	
CCCCCNC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@@H](C)COC	514302189	MBTXODICHHABBF-OALUTQOASA-N	525.741	3.970	0	20	KHAD	
COCCN(C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1	514386122	DVNTYAVAEQHZPK-NRFANRHFSA-N	535.091	3.650	0	20	KHAD	
COc1ccc(CN2CCN(CC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)CC2)c(OC)c1OC	514387136	IYXOAWSMFKOAGZ-RUZDIDTESA-N	513.635	3.936	0	20	KHAD	
COc1ccc(NC(=O)CCN2CCC(c3ccc(O)cc3)CC2)cc1S(=O)(=O)N1CCCCC1	514394152	RHHSMNYJQNNRPJ-UHFFFAOYSA-N	501.649	3.784	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2C)c1	514376107	BUEFFHIVFQPWPC-NTLWEQJWSA-N	505.710	3.546	0	20	KHAD	
COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)Nc3c(C)cc(C)cc3C)c2=O)cc(OC)c1OC	514381679	NNVLHXRGVMCQAT-UHFFFAOYSA-N	552.693	3.724	0	20	KHAD	
CNS(=O)(=O)c1cc(NC(=O)CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccccc2)ccc1C	514386589	ULLLFSKRRBPOAX-IBGZPJMESA-N	528.704	3.762	0	20	KHAD	
CCCNC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccccc1Cl	514387661	HTHMRSOBBCZOQV-KRWDZBQOSA-N	550.106	3.615	0	20	KHAD	
Cc1cc(NC(=O)CSc2nnc(Nc3cccc(Cl)c3C)s2)n([C@H]2CCS(=O)(=O)C2)n1	514392583	YYOPHUIAPNPZBD-ZDUSSCGKSA-N	513.070	3.839	0	20	KHAD	
CCCCCn1c(=O)c2ccccc2n2c(SCC(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)nnc12	514300813	RBBVAULWTNBWSD-GOSISDBHSA-N	559.739	3.604	0	20	KHAD	
CCCCN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1	514303770	YZVSPQRKSUIUPV-IBGZPJMESA-N	544.139	3.773	0	20	KHAD	
COc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C	514377407	ULLAGZHWXKWNFB-UTKZUKDTSA-N	512.632	3.602	0	20	KHAD	
COc1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514380302	LMOBDKAXPNMDMD-UHFFFAOYSA-N	520.957	3.963	0	20	KHAD	
O=C(CSCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)cc1Cl	514391863	PKAPMLFRABBFNZ-UHFFFAOYSA-N	505.445	3.765	0	20	KHAD	
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)c12	514393459	BPJGRFPNRZWUNZ-UHFFFAOYSA-N	566.709	3.879	0	20	KHAD	
CCc1ccc(OCc2nnc(SCC(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2)cc1	514293066	PFHVSTLGWJKSHE-JOCHJYFZSA-N	528.700	3.596	0	20	KHAD	
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1	514300234	MGCHYIVSBUYCBL-QFIPXVFZSA-N	517.095	3.591	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)n1-c1ccc(OC)cc1)N(C)C	514389196	BUJQMUCHFAAUOI-QHCPKHFHSA-N	537.690	3.757	0	20	KHAD	
O=C(CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1)N1CCCCC1	514389752	LUCDKZOQKIKNQG-UHFFFAOYSA-N	539.485	3.565	0	20	KHAD	
CCCN(C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1	514395606	OHMLRRGJXKTEFZ-JXFKEZNVSA-N	564.531	3.998	0	20	KHAD	
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514405710	YPHJXCLSAHFFLD-UHFFFAOYSA-N	564.911	3.670	0	20	KHAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c(O)nc1=O	514295873	LQJYYMQUUGPUGI-PMACEKPBSA-N	577.748	3.699	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c(O)nc1=O	514301384	YXJFQNFRWLTTFL-UHFFFAOYSA-N	572.460	3.772	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2cccc(Cl)c2C)c(C(=O)OC)c1C	514380356	IFTOZVMKJWOPBZ-HNNXBMFYSA-N	549.092	3.630	0	20	KHAD	
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514386812	CZMUWUSODATTGP-UHFFFAOYSA-N	561.966	3.633	0	20	KHAD	
COCCCn1c(SC[C@@H](O)CO[C@@H]2CCCc3ccccc32)nc2cc(C(=O)OC)ccc2c1=O	514388426	YJDSXBIJVPANEU-GBXCKJPGSA-N	512.628	3.767	0	20	KHAD	
CCCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2OC)n1-c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1	514395529	MNXANMGAMDYNNF-UYAOXDASSA-N	544.699	3.858	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)nc2cc(Cl)ccc2c1=O	514404271	AQCJSGNUHLQLLQ-DOTOQJQBSA-N	504.008	3.523	0	20	KHAD	
Nc1nc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(-n4cccn4)cc2Cl)CC3)cs1	1815133003	YRUQCHASFOWXLK-LLVKDONJSA-N	500.009	3.561	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)CC1	514293254	SVXPFNRQYVWCBU-SFHVURJKSA-N	503.644	3.675	0	20	KHAD	
O=C(COc1ccc(F)cc1Br)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514296900	RYYKBPQGIBAILM-UHFFFAOYSA-N	571.343	3.568	0	20	KHAD	
COc1ccccc1-c1nnc(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1-c1ccc(Cl)cc1	514298911	AXZPCSQVOIPMFG-SFTDATJTSA-N	577.128	3.883	0	20	KHAD	
CCCNC(=O)CSc1nnc(SCC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)s1	514376270	FOYKFGZQBPQPQJ-UHFFFAOYSA-N	516.692	3.636	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)N(C)C)n2CCc2ccccc2)c1	514383058	FQBGBIASGDQLGO-IBGZPJMESA-N	515.705	3.787	0	20	KHAD	
O=C(CCN1CCN(CCOc2ccc(Cl)cc2)CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	514391269	FSAAENPVQAJBKG-UHFFFAOYSA-N	555.528	3.803	0	20	KHAD	
CCCn1c(CCC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514394561	YPGQHANYQSAOEO-PMACEKPBSA-N	574.773	3.868	0	20	KHAD	
CCn1c(CCC(=O)NCC2(c3ccccc3)CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395323	IBCPDCJXNGIFMN-UHFFFAOYSA-N	524.687	3.638	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3cnc4c(Cl)cccn34)sc2C1)c1nnsc1C1CC1	1816078193	PUSDYHJYRQUCAL-NSHDSACASA-N	500.009	3.713	0	20	KHAD	
CCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)nnc1[C@@H](CC)N(C)C	514291968	JBUAZCZAQLAOGZ-XQBPLPMBSA-N	552.767	3.620	0	20	KHAD	
CCCCn1c(CCC(=O)NCCc2ccc(OCC)c(OCC)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292935	OIIDTQCVHGSWCS-UHFFFAOYSA-N	586.755	3.946	0	20	KHAD	
CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	514380140	GFGNQABMGMNALN-KRWDZBQOSA-N	574.068	3.648	0	20	KHAD	
CC(C)[C@H](Sc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)C(=O)N[C@H]1CCS(=O)(=O)C1	514404231	CRKBEDAFRMWMOJ-YWZLYKJASA-N	523.746	3.872	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1snnc1C1CC1)CC2)c1cn2cc(Cl)ccc2n1	1818113534	OHXXUTJBIKBMBV-LBPRGKRZSA-N	500.009	3.713	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	514293695	WDXQVTLNVKZINZ-UHFFFAOYSA-N	628.821	3.816	0	20	KHAD	
COc1cc(-c2nnc(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)n2C2CCCCC2)cc(OC)c1OC	514301856	FBNMIJOEFOVVRY-UHFFFAOYSA-N	561.686	3.854	0	20	KHAD	
CCOc1ccc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1S(=O)(=O)N1CCCCC1	514382811	WEAZKTTXYYYFIN-UHFFFAOYSA-N	506.621	3.857	0	20	KHAD	
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(C3CC3)n2CCC(N)=O)sc2c1CC[C@@H](C)C2	514394778	SLFVWFUBUXJVLV-CHWSQXEVSA-N	505.666	3.513	0	20	KHAD	
CCn1c(SCC(=O)N(C)Cc2ccccc2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514293931	VCAYHZIVUOTEDE-UHFFFAOYSA-N	513.689	3.809	0	20	KHAD	
Cc1cccc(-n2c(SCC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2)c1	514300122	KHAWBGJLFAMNAV-GOTSBHOMSA-N	526.684	3.530	0	20	KHAD	
CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)[C@H]1c1ccc(OC)cc1	514301312	ZTQNFCCTUPGHDE-BKMJKUGQSA-N	547.649	3.574	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(O)nc1=O	514303009	INKHVNPCGGUQFM-UHFFFAOYSA-N	569.490	3.504	0	20	KHAD	
COc1ccc(OCc2nnc(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)n2-c2ccccc2F)cc1	514375537	RJJPMMOMSRXXBG-IBGZPJMESA-N	562.689	3.758	0	20	KHAD	
Cc1ccc(C)c(OC[C@@H](O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)c1	514380793	QMBSALRKGWWNOQ-HSZRJFAPSA-N	584.720	3.756	0	20	KHAD	
CCC[C@@H](CNC(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)n1C)c1ccc(Cl)cc1Cl	514391876	RYACYQRCZYMZPP-KBPBESRZSA-N	505.493	3.816	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401309	SRYJBGKIKIWRRD-KRWDZBQOSA-N	518.661	3.588	0	20	KHAD	
COc1ccc2ccccc2c1CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1	514401698	CBXRIBVSPAUBJA-XMMPIXPASA-N	510.656	3.995	0	20	KHAD	
CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1	514291219	BGAJNPMZGOFZTL-UHFFFAOYSA-N	521.014	3.967	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccccc3)n2[C@@H](C)COC)c1	514293062	PDPMIUMRQPSPGH-SFHVURJKSA-N	517.677	3.914	0	20	KHAD	
Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1	514301839	DRMGQRXMPFVGEF-UHFFFAOYSA-N	502.040	3.929	0	20	KHAD	
O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514304480	WDQXFXSLSYDWKT-UHFFFAOYSA-N	588.781	3.617	0	20	KHAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N3CCN([C@H](C(=O)NCc4ccccc4)c4ccccc4)CC3)c12	514390307	FPOGWHXHLUNWST-JOMNFKBKSA-N	626.783	3.792	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)Nc1nc(-c2ccc[nH]2)cs1)c1c(O)nc(=O)n(CCCC)c1N	514401312	SWEPABXWRMFTEN-UHFFFAOYSA-N	515.640	3.725	0	20	KHAD	
COc1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)ccc1N1CCCC1=O	514401911	BOJWALGWEREEES-HDICACEKSA-N	515.632	3.750	0	20	KHAD	
COc1cccc(NCc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2C2CCCCC2)c1	514298984	BZQUSZLBIAEJDJ-UHFFFAOYSA-N	530.676	3.782	0	20	KHAD	
COc1ccc(-c2nnc(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)n2-c2ccccc2)cc1	514374730	GTLQNEIXFRUXJU-OAQYLSRUSA-N	514.673	3.707	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1	514376272	FQOOTUKCKRXXTG-UHFFFAOYSA-N	519.689	3.525	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCCN(Cc3ccc(Cl)cc3)CC1)n2C	514390875	ADTUZPITISXSCK-UHFFFAOYSA-N	546.137	3.924	0	20	KHAD	
CCS(=O)(=O)N1CCc2cc(C(=O)/C(=C(/S)Nc3ccccc3F)[n+]3cccc(O)c3)ccc21	27097878	DCXINEMNSRIXNC-UHFFFAOYSA-O	500.597	3.582	0	20	KHAD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(F)cc2Br)CC1	514383940	NWMUSAPLLPYUFT-UHFFFAOYSA-N	539.471	3.767	0	20	KHAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	514387912	NJTCBZQZQHMEDD-ZDUSSCGKSA-N	534.988	3.685	0	20	KHAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C	514388515	VVVHIZDTWAZIQG-UHFFFAOYSA-N	527.345	3.861	0	20	KHAD	
CN(Cc1ccc(Cl)s1)C(=O)CN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1	514400945	GFYYVFGJJDLDQZ-UHFFFAOYSA-N	504.962	3.515	0	20	KHAD	
CCCCN(C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C)c1c(O)nc(=O)n(CCCC)c1N	514296176	MMKVICVRUBQCCL-IBGZPJMESA-N	533.695	3.650	0	20	KHAD	
COc1ccc(-c2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n2C[C@H]2CCCO2)cc1	514375184	LQOQIMCPXRYKIG-OAQYLSRUSA-N	512.632	3.601	0	20	KHAD	
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(CN2CCOCC2)cc1	514387442	HREPTHJVWOCIAJ-JOCHJYFZSA-N	510.487	3.994	0	20	KHAD	
CCOc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1S(=O)(=O)N1CCCCC1	514390008	VCLRDYWZZZRNPD-JOCHJYFZSA-N	501.605	3.630	0	20	KHAD	
C[C@H](Sc1nncn1CCc1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	514391281	FXWMRVILLQCYTK-KRWDZBQOSA-N	505.691	3.876	0	20	KHAD	
Cn1c(SCC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)nnc1[C@H]1CCS(=O)(=O)C1	514391382	IFPDVICNUGFGJF-MOVGKWKRSA-N	532.707	3.946	0	20	KHAD	
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1	514401524	YEKZYEAAURTBMC-UHFFFAOYSA-N	594.919	3.650	0	20	KHAD	
Cn1cccc1C(=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4c(Cl)cncc4s3)sc2C1	1815847383	YXOJLNWPEAZJOO-LLVKDONJSA-N	500.005	3.853	0	20	KHAD	
CN(C)C[C@H](CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1)OC(=O)/C=C\C(=O)O	2048529524	MAGMEMHASFDBDV-SLXDBMQSSA-N	602.019	3.776	0	20	KHAD	
O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)N(Cc1ccccc1)c1nc2c(s1)CCCC2	514389123	ZQTOVPIEXBAGNN-KRWDZBQOSA-N	518.686	3.708	0	20	KHAD	
O=C(CCn1cnc2ccccc2c1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1	514390352	HAPYOPPKMDSQNM-UHFFFAOYSA-N	523.659	3.590	0	20	KHAD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1	514395051	BIKNCGQJHGLYGY-INIZCTEOSA-N	565.121	3.899	0	20	KHAD	
Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514292698	OUAJLECDHVOJQX-UHFFFAOYSA-N	511.566	3.820	0	20	KHAD	
CCCCCc1nnc(NC(=O)CCC(=O)N(CCCCC)c2c(O)nc(=O)n(CCCC)c2N)s1	514295569	KUUMBYYORGHERA-UHFFFAOYSA-N	521.688	3.858	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc([C@H](CC)N(C)C)n2-c2ccc(OC)cc2)sc(C(N)=O)c1C	514375835	WPEUMGYACGTIGO-KRWDZBQOSA-N	560.702	3.665	0	20	KHAD	
Cc1ccc(-n2c(S[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)nc3sc4c(c3c2=O)CCCC4)cc1C	514388577	PPBWGZMLRSNLNM-SJORKVTESA-N	531.725	3.727	0	20	KHAD	
CC(=O)N1CCN(C(=O)[C@H](C)Sc2nc3scc(-c4ccc(C)cc4)c3c(=O)n2C[C@H]2CCCO2)CC1	514395073	BTVFNFFDLDETRW-GHTZIAJQSA-N	540.711	3.784	0	20	KHAD	
Cc1ccccc1-n1c(SCC(=O)N(C)Cc2ccc(OC(F)F)cc2)nnc1N1CCOCC1	514402415	INXJLHJKRNVANR-UHFFFAOYSA-N	503.575	3.764	0	20	KHAD	
Cc1cc(I)ccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1	514295981	NAYONMGQNXXGSE-UHFFFAOYSA-N	513.401	3.702	0	20	KHAD	
CC(C)CN(C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1c(O)nc(=O)n(CC(C)C)c1N	514379698	XAUDPPMUABZSDB-UHFFFAOYSA-N	574.531	3.584	0	20	KHAD	
COc1ccc(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1	514379950	XJVZNMVGFRIHIJ-UHFFFAOYSA-N	537.354	3.679	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3SCc3c(C)noc3C)CC2)cc1C	514382015	DHNXBSBZIOCNBF-UHFFFAOYSA-N	500.646	3.742	0	20	KHAD	
O=C(CSc1nc(O)c2c3c(sc2n1)CCCC3)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1	514384346	OQEAJUFYMZCTRO-CYBMUJFWSA-N	509.700	3.645	0	20	KHAD	
O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)Nc1cccc(C(=O)NC2CC2)c1	514391440	JQHCXULTCWLQQE-UHFFFAOYSA-N	504.660	3.935	0	20	KHAD	
COCCCn1c(SCC(=O)N[C@H](c2ccc(C)cc2)C2CC2)nc2cc(C(=O)OC)ccc2c1=O	514395925	XGVHMQOABVCMIY-XMMPIXPASA-N	509.628	3.888	0	20	KHAD	
CSCC[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514402283	NKQMDXZXBHFBTR-NSHGMRRFSA-N	542.123	3.750	0	20	KHAD	
CCc1c(C)sc2nc(SCC(=O)Nc3ccccc3SCC(N)=O)n(C[C@@H]3CCCO3)c(=O)c12	514404391	FUIRLTDWEOVADF-HNNXBMFYSA-N	532.713	3.816	0	20	KHAD	
CCCCN(C(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)c1c(O)nc(=O)n(CCC)c1N	514404652	HOWDOEFORWHYSR-MRXNPFEDSA-N	563.128	3.723	0	20	KHAD	
Nc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(-c5ccc(Cl)cc5)[nH]n4)sc3C2)cs1	1821554986	LJNVTWBHHCVUIJ-GFCCVEGCSA-N	500.009	3.765	0	20	KHAD	
Cc1ccccc1-n1c(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)nnc1-c1ccncc1	514293072	RJABJVZWRJEAPR-UHFFFAOYSA-N	562.700	3.920	0	20	KHAD	
CCCn1c(CCC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293616	UAVXPWGGCDZMOD-UHFFFAOYSA-N	620.570	3.568	0	20	KHAD	
Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)c1C	514294108	YSWHVAPLDACLCZ-JOCHJYFZSA-N	501.649	3.592	0	20	KHAD	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)Nc1c(Cl)cccc1Cl	514295939	GVRXYTYSZAAFBE-UHFFFAOYSA-N	513.447	3.665	0	20	KHAD	
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514300463	PQPLYRUEFYDYJC-QGZVFWFLSA-N	521.565	3.906	0	20	KHAD	
CCCCSc1nnc(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)s1	514300523	NJDWMSIJVBKTKD-CQSZACIVSA-N	502.709	3.571	0	20	KHAD	
CN(Cc1ccccc1Br)C(=O)CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1	514304721	XRGHXVZDVXJTQA-GOSISDBHSA-N	508.486	3.961	0	20	KHAD	
CCCCn1c(SCC(=O)Nc2cc(OC)c(OC)c(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514375261	OCKCLESWEPMOLX-UHFFFAOYSA-N	536.676	3.843	0	20	KHAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cc3Br)CC2)cc1	514376919	SWDYLMPUSCNRTH-UHFFFAOYSA-N	509.422	3.974	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1OC)[C@H]1CCS(=O)(=O)C1	514387964	KQIBBQDDMPACHH-RDJZCZTQSA-N	536.075	3.564	0	20	KHAD	
O=C1C[C@H](C(F)(F)F)N(C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)c2ccccc2N1	514392954	IQBDYTAAWJPMQM-GOSISDBHSA-N	528.578	3.655	0	20	KHAD	
CCCCCn1c(=O)c2ccccc2n2c(SC[C@@H](O)COCc3ccc(OC)c(OC)c3)nnc12	514401204	PGZRXJSVTLHEMX-IBGZPJMESA-N	512.632	3.921	0	20	KHAD	
COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Sc2nnc(N3CCOCC3)n2-c2cccc(C)c2)c1	514405728	YRUVRUADHTXBMZ-RBUKOAKNSA-N	511.648	3.788	0	20	KHAD	
C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1Oc1cccc(Br)c1)CS2	514297220	YAMIZHUKSHZSMA-RDPSFJRHSA-N	596.525	3.655	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Oc3ccc(F)cc3)CC2)cc1OC	514299331	LNNLCXXRLAYKCG-UHFFFAOYSA-N	663.746	3.696	0	20	KHAD	
CCCn1c(CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514377307	QRADJCRMLOVMFB-UHFFFAOYSA-N	593.672	3.767	0	20	KHAD	
COc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c(OC)cc1Cl	514384108	LOMJMGVYZIYKLM-CQSZACIVSA-N	504.996	3.900	0	20	KHAD	
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CCC(N)=O)n2CC(C)C)sc2c1CCCC2	514405567	XRJANEBIJWLWNY-AWEZNQCLSA-N	507.682	3.588	0	20	KHAD	
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1	514292642	NIZPWVRCOOIXLQ-UHFFFAOYSA-N	510.582	3.518	0	20	KHAD	
COc1ccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(I)cc1	514296456	LYDZQHJYFKIWPW-OALUTQOASA-N	611.458	3.604	0	20	KHAD	
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N[C@@H]3CC4(CCN(C)CC4)Oc4ccccc43)cc2)cc1	514405739	YWSLHLMQHGPUBS-MUUNZHRXSA-N	592.718	3.953	0	20	KHAD	
CN(C)C[C@H](O)CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1	2048529388	IQINQKMQCQYKAD-CVEARBPZSA-N	503.962	3.585	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CSCC(=O)Nc2ccc(OC)cc2)c1	514292724	POXQWACGKQPGFI-UHFFFAOYSA-N	534.704	3.636	0	20	KHAD	
CCOc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)ccc1OCC(=O)N1CCCCC1	514377799	JUPFWCWXDQSOBN-UHFFFAOYSA-N	517.629	3.742	0	20	KHAD	
O=C(CSCCOc1cccc(Cl)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	514380405	KBMGQGQAWBQKMV-UHFFFAOYSA-N	505.445	3.765	0	20	KHAD	
CC(C)Cn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)nnc1N1CCOCC1	514382741	CIGVFVUJBBGGLJ-GOSISDBHSA-N	500.650	3.895	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(NC2CC2)s1	514386416	OFMYHHMMRMVSME-UHFFFAOYSA-N	511.695	3.805	0	20	KHAD	
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)CC2	514386821	DIGVNSHVFLJWTN-SIBVEZHUSA-N	546.736	3.990	0	20	KHAD	
CCOc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)ccc1OCC(=O)N1CCCCC1	514401259	QWCDIJOIIZPWIV-UHFFFAOYSA-N	537.613	3.696	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1	514403435	VHEKIIYNGMUMEG-PKOBYXMFSA-N	502.637	3.898	0	20	KHAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)o1	514404542	HGFXVPJREBUMQY-NRFANRHFSA-N	515.563	3.546	0	20	KHAD	
O=C(c1cnc2snnc2c1)N1CCO[C@]2(CCN(C(=O)c3cc4c(Cl)cccc4s3)C2)C1	1778045616	XRMRSWPVUMOHKE-QFIPXVFZSA-N	500.005	3.712	0	20	KHAD	
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl	514297261	RAOMACVDWLMFHD-NYHFZMIOSA-N	592.542	3.882	0	20	KHAD	
Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCCC1	514298609	CHRVSTPKYZNRLE-NRFANRHFSA-N	571.725	3.712	0	20	KHAD	
O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514299860	JTNZDDXWKAUHBW-COEKJAFYSA-N	573.715	3.571	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N	514304465	VGVPUWFKASPCGL-UHFFFAOYSA-N	568.725	3.788	0	20	KHAD	
COc1ccc(-c2nnc(SCC(=O)NCc3ccccc3CN3CCOCC3)n2CC(C)C)cc1	514385599	NQEDJNLQFDIWMB-UHFFFAOYSA-N	509.676	3.850	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N2CCC(NC(=O)c3ccccc3)CC2)c1	514392431	VXVFOBXEMFAFNA-SFHVURJKSA-N	521.083	3.592	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1snnc1C1CC1)CC2)c1c[nH]c2nccc-2c1Cl	1816880075	JVNDWPAZNZOTEE-JTQLQIEISA-N	500.009	3.893	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514294419	ZFWQOIGNWLABGD-INIZCTEOSA-N	529.644	3.598	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccc(N(CC)CC)cc2)o1)c1c(O)nc(=O)n(CCC)c1N	514384080	KWXSHTAZEUZIGZ-UHFFFAOYSA-N	529.667	3.763	0	20	KHAD	
O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1	514391657	MSVMSJNDQFBCOR-UHFFFAOYSA-N	546.715	3.545	0	20	KHAD	
COCCN(C(=O)CCC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1)c1c(O)nc(=O)n(CC(C)C)c1N	514294977	GLQOLGLYGMGUMG-UHFFFAOYSA-N	556.689	3.634	0	20	KHAD	
CC(C)[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1	514303025	JDTOAYBVKVYRIL-KNQAVFIVSA-N	519.092	3.932	0	20	KHAD	
CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1	514389813	NIUVHTAIKQGZGA-QFIPXVFZSA-N	584.160	3.594	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c(O)nc1=O	514394977	ZEKZVHHUYRMUNL-INIZCTEOSA-N	507.582	3.598	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1cc2ccccc2s1	514401862	HGIQSUAXKIBEQR-GOSISDBHSA-N	501.630	3.765	0	20	KHAD	
CC(C)CN(C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1c(O)nc(=O)n(CC(C)C)c1N	499320049	ZNMFGJYMGVJFAT-UHFFFAOYSA-N	500.003	3.601	0	20	KHAD	
Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2nc3n(c(=O)c12)CCCCC3	514296296	NZRYBJWGUWFBIA-HOTGVXAUSA-N	530.672	3.543	0	20	KHAD	
CCCCn1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)nnc1[C@@H](CC)N(C)C	514375997	YZSYAMFEIYXCEE-FXAWDEMLSA-N	510.730	3.897	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)c(O)nc1=O	514378927	KBVPTCMNAWOWBZ-LJQANCHMSA-N	533.695	3.506	0	20	KHAD	
COc1ccc([C@H](CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1OC	514381136	YXIYKPWOJNVTKD-NDEPHWFRSA-N	672.826	3.871	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCN(Cc2c(F)cccc2Cl)CC1	514384226	RFMZDCOHDNFSNX-UHFFFAOYSA-N	515.985	3.502	0	20	KHAD	
O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCSc2ccccc21	514384330	OHUFGKZBRQVTRN-HSZRJFAPSA-N	551.756	3.663	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)cc1S(=O)(=O)N1CCCCCC1	514392553	XVHRKHCONWVUBL-UHFFFAOYSA-N	524.643	3.897	0	20	KHAD	
CC(C)OCCCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nc2ccccc2c1=O	514292826	MVSZNYCLIARQPT-UHFFFAOYSA-N	544.699	3.727	0	20	KHAD	
Cc1cccc(OCc2nnc(SCC(=O)N3CCN(C(=O)CSc4nnc(COc5cccc(C)c5)o4)CC3)o2)c1	514375723	UOTLHWYEVQEGOL-UHFFFAOYSA-N	610.718	3.783	0	20	KHAD	
C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	514387068	AUOVMWWMAPIRTN-QWRGUYRKSA-N	500.574	3.568	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1ccc(OC[C@@H]2CCCO2)cc1	514297631	VYEABZBQQZICKJ-QHCPKHFHSA-N	529.659	3.508	0	20	KHAD	
CCCCn1c(S[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395906	WQZCYWQPDWQUGF-SFHVURJKSA-N	559.714	3.935	0	20	KHAD	
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	514402607	PPXLQGZGNVOJEO-ZDUSSCGKSA-N	526.986	3.650	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1snnc1C1CC1)CC2)c1c[nH]c2nccc-2c1Cl	1816880077	JVNDWPAZNZOTEE-SNVBAGLBSA-N	500.009	3.893	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)nnc12	514292577	NUPVSDBARFWHHD-FQEVSTJZSA-N	598.751	3.765	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c(O)nc1=O	514297436	WDHMZUDCXBACTF-UHFFFAOYSA-N	540.587	3.824	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc3n(-c4c(C)cccc4C)c(=O)c4ccccc4n23)CC1	514376661	PJHJATUCIHRYMB-LJQANCHMSA-N	533.654	3.933	0	20	KHAD	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1S(=O)(=O)N1CCCCC1	514384337	OLCAYKZUIWAORJ-UHFFFAOYSA-N	509.650	3.655	0	20	KHAD	
Cn1c(COc2ccccc2Cl)nnc1SCC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	514385685	QYFMSYFPWNMJKU-UHFFFAOYSA-N	583.036	3.941	0	20	KHAD	
CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)nnc1-c1cccc(C)c1	514386016	AQFMETRLXXYWMC-UHFFFAOYSA-N	559.714	3.812	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)c1	514401952	CPNAILDOWOIKNF-UHFFFAOYSA-N	607.799	3.993	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1	514402811	FGAMPTIFWCABAF-UHFFFAOYSA-N	552.112	3.767	0	20	KHAD	
CCOc1ccc(N/C(S)=C(/C(O)=c2ccc3c(c2)CCC(=O)N=3)[n+]2ccc3c(c2)CCCC3)cc1	912828395	JZZCQXGVLGBMAN-UHFFFAOYSA-O	500.644	3.878	0	20	KHAD	
CCc1cccc[n+]1/C(C(=S)N[C@H]1C[C@H]2CC[C@H]1C2)=C(/O)c1ccc(CCNS(C)(=O)=O)cc1	912842516	MCQGOLUSZVJDMH-RRPUWOKSSA-O	500.710	3.618	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc(C)nc2sc(C)c(C)c12	514292686	OPDKYWMMJSLKBL-UHFFFAOYSA-N	536.701	3.767	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1	514297607	VPJOQRUMJWMUPL-UHFFFAOYSA-N	565.714	3.742	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1	514300498	WVGZAFDKKYDODJ-UHFFFAOYSA-N	590.068	3.583	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)n1CCN1CCOCC1)N(C)C	514375770	VRDSNSSCDJIQIV-OAQYLSRUSA-N	529.736	3.786	0	20	KHAD	
Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	514389098	ZCQISESXKPWOKB-NSHDSACASA-N	532.500	3.953	0	20	KHAD	
COc1ccc([C@@H](CNC(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)N2CCOCC2)cc1OC	514394606	PDXGJAUXDDKGPX-PKOBYXMFSA-N	546.715	3.842	0	20	KHAD	
C/C=C/c1ccc(OC[C@@H](O)CSc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)c(OC)c1	514400906	DQCKGLPPFLQVAG-OSFWOZTASA-N	528.650	3.990	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC)cc1S(=O)(=O)N(CC)CC	514403500	ZLKKGGQFIPNEOF-UHFFFAOYSA-N	524.690	3.638	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)n1CCN1CCOCC1)N(C)C	514293294	PXXXYIBFHMDIGP-ILBGXUMGSA-N	582.771	3.856	0	20	KHAD	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccco1	514376782	RDPZASOGKPNWPR-WBKMXMRLSA-N	529.688	3.634	0	20	KHAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)cc1	514380823	UWVKZJAEHUDGJU-UHFFFAOYSA-N	589.036	3.680	0	20	KHAD	
O=C(CSc1nnc(N2CCCC2)n1-c1ccccc1Cl)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	514382760	DEPSBZUHFBJPIJ-LJQANCHMSA-N	538.139	3.961	0	20	KHAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)CC1	514385485	IUVUGRYNFWFXFF-NRFANRHFSA-N	554.742	3.677	0	20	KHAD	
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)CC2	514388155	VQRJYOWRNIPHQT-FNZWTVRRSA-N	518.701	3.671	0	20	KHAD	
CCCCn1c(CCC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514299146	AUFBIIAOXBVRSW-QFIPXVFZSA-N	579.727	3.590	0	20	KHAD	
CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)ccc1OCC(=O)N1CCCCC1	514377988	BCIDVELYXJJVOK-NHCUHLMSSA-N	559.685	3.527	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1OC)[C@H]1CCS(=O)(=O)C1	514387965	KQIBBQDDMPACHH-WBVHZDCISA-N	536.075	3.564	0	20	KHAD	
COc1ccc(COC[C@H](O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1OC	514388436	YJPSPTIEKDADRG-LEWJYISDSA-N	503.596	3.950	0	20	KHAD	
CCOc1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)C(C)C)cc1OCC	514389771	MDMSPFQWPAWGMK-VWLOTQADSA-N	550.674	3.649	0	20	KHAD	
O=C(c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CCC[C@H](C(=O)N2CCOCC2)C1	514393550	FBVGQSOIPNJFBL-KRWDZBQOSA-N	526.442	3.505	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N(C)Cc1cccc(OC)c1OC)n2CC	514291924	JGZDQGKLJZOZNP-UHFFFAOYSA-N	534.704	3.855	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)c(O)nc1=O	514375814	WHOXHYWWGRABOY-UHFFFAOYSA-N	570.503	3.688	0	20	KHAD	
COc1cc(NC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(OC)cc1NC(=O)c1ccccc1	514378648	GORWFNBLGSOJBX-OPYAIIAOSA-N	525.627	3.801	0	20	KHAD	
CC[C@H](C)Cc1c(C)sc2nc(S[C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc(O)c12	514389138	ZUUBELQKUGYCRW-ZFWWWQNUSA-N	522.718	3.781	0	20	KHAD	
O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21	514390539	NKACGDUXTUOAFI-UHFFFAOYSA-N	566.753	3.719	0	20	KHAD	
CCOc1ccc([C@@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)c2c[nH]c3ccccc23)cc1OC	514402149	GOOYXWLUGGNXCI-HXUWFJFHSA-N	504.587	3.688	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514405698	YKAYHMXVPYMXNP-GOSISDBHSA-N	502.662	3.813	0	20	KHAD	
CC(C)n1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)nc2cc(Cl)ccc2c1=O	514290923	BIVCRBHPPFIMOQ-UHFFFAOYSA-N	606.170	3.983	0	20	KHAD	
COc1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1cc(C)ccc1Br	514403346	TUAGGEJYYOVXJS-IRXDYDNUSA-N	564.458	3.681	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1	514291186	ANELRENFLBPDSZ-UHFFFAOYSA-N	559.044	3.753	0	20	KHAD	
CN(Cc1ccc(Br)s1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514299743	QGLNNYWVCARWDQ-UHFFFAOYSA-N	542.521	3.794	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)o2)cc1	514299811	IZOSFRYXWRRXTL-UHFFFAOYSA-N	600.767	3.935	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514379229	QAJLVLCVDXENJI-UHFFFAOYSA-N	620.577	3.841	0	20	KHAD	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1	514379595	ALUMAXPWZWVKCH-OALUTQOASA-N	564.458	3.762	0	20	KHAD	
CCCCCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cc(OC)c(OC)cc3OC)nnc12	514386079	CEBGJXMUMQXEDP-UHFFFAOYSA-N	525.631	3.669	0	20	KHAD	
COc1ccc2ccccc2c1CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1	514401696	CBXRIBVSPAUBJA-DEOSSOPVSA-N	510.656	3.995	0	20	KHAD	
COc1ccc(-c2nc(CN3CCN(C(=O)C4CCN(S(=O)(=O)c5ccccc5F)CC4)CC3)cs2)cc1	514404782	MQSBKBCWEFTWOL-UHFFFAOYSA-N	558.701	3.703	0	20	KHAD	
COc1cccc(Nc2nnc(SCC(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)s2)c1	514291293	DRXNXPLNJQMORX-UHFFFAOYSA-N	533.680	3.572	0	20	KHAD	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	514291717	GCHFXAZLDZMKAI-NRFANRHFSA-N	513.038	3.504	0	20	KHAD	
CN1CCN(c2ccc(CNc3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c34)cn2)CC1	514302929	HIOCWEGPLCNSFH-UHFFFAOYSA-N	515.687	3.949	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)Nc2cc(OC)ccc2OC)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514375375	OKJURIUASWPULJ-KRWDZBQOSA-N	545.687	3.886	0	20	KHAD	
CCOCCCn1c(SCC(=O)N2CCNC2=O)nc2scc(-c3ccccc3Cl)c2c1=O	514375800	VZOAXQMNWMMNPJ-UHFFFAOYSA-N	507.037	3.849	0	20	KHAD	
Cc1ccc(NC(=O)c2sc3[nH]c(CSc4nnc(C[C@@H]5CCS(=O)(=O)C5)o4)nc(=O)c3c2C)c(C)c1	514387412	FWCGCUSSIBXDIS-HNNXBMFYSA-N	559.695	3.815	0	20	KHAD	
CCCN(C(=O)[C@H](C)Sc1nnc(-c2ccccc2OC)n1-c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1	514395527	MNXANMGAMDYNNF-ICSRJNTNSA-N	544.699	3.858	0	20	KHAD	
COc1ccc(OCCN(C)C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1	514403399	UTVBSYNMIFDNLM-JOCHJYFZSA-N	500.596	3.901	0	20	KHAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1	514292146	LORGXUDKCZARSB-UHFFFAOYSA-N	527.565	3.824	0	20	KHAD	
CC(C)OCCCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc2c1=O	514301836	DQUCHEZHMIFFFS-IAGOWNOFSA-N	567.133	3.870	0	20	KHAD	
CCn1c(CCC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514389562	JPCDRUCENDFQED-UHFFFAOYSA-N	590.628	3.912	0	20	KHAD	
COc1ccc([C@H](NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2nccn2C)cc1	514390186	APBUGPVSMDNLEI-SANMLTNESA-N	510.660	3.832	0	20	KHAD	
Cc1ccc(C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1S(=O)(=O)N1CCCCC1	514388879	UOPLWECAXPEZJB-DEOSSOPVSA-N	511.644	3.590	0	20	KHAD	
COc1ccc(-c2noc(CN3CCN(C(=O)[C@@H](CCSC)NC(=O)c4ccccc4Cl)CC3)n2)cc1	514394302	SOCOMVYVCVUQFZ-JOCHJYFZSA-N	544.077	3.595	0	20	KHAD	
Cc1ncc(/C=C/C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(Cl)cc4nn[nH]c24)CC3)s1	1827122268	OJMUEEPUARNRJC-OGOUPESXSA-N	500.009	3.772	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)n2CC(C)C)c1	514292593	MCQYTRKVOBMVRU-UHFFFAOYSA-N	556.714	3.709	0	20	KHAD	
COCCn1c(S[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)nc2sc3c(c2c1=O)CCCC3	514294303	WCJXDDWDVGNINT-QGZVFWFLSA-N	528.700	3.836	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)n2CC)cc1	514295491	BTLVVGJIEKSWNJ-NRFANRHFSA-N	507.726	3.575	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	514297688	WIOJNNWBYBJUPT-UHFFFAOYSA-N	535.688	3.687	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1	514375033	KGPOKLLPFNJHDP-NRFANRHFSA-N	514.673	3.851	0	20	KHAD	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCC(C(=O)N2CCCCC2)CC1	514378027	CRQADBSXODMQOV-UHFFFAOYSA-N	518.079	3.782	0	20	KHAD	
CCCCn1c(CCC(=O)N2CCN(c3ccccc3OCC)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514378750	IVVGHWHWIWGZBI-UHFFFAOYSA-N	583.755	3.537	0	20	KHAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2[C@H](C)COC)CC1	514382775	VHYNZKRMIYCWBU-XMMPIXPASA-N	671.890	3.620	0	20	KHAD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514384825	ZBNCNOBHUCUURH-UHFFFAOYSA-N	563.101	3.882	0	20	KHAD	
CCn1c(CCC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514403030	PFWRPBRMVIHDCS-OAQYLSRUSA-N	514.648	3.620	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nnc(-c2cccc(C)c2)n1-c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1	514403264	RWWDZXMOCUWDMK-NQIIRXRSSA-N	514.673	3.768	0	20	KHAD	
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1S(=O)(=O)N(C)C	514291898	IDHHIMHYSZQGPS-FQEVSTJZSA-N	533.651	3.553	0	20	KHAD	
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)N2CCCCC2)cc1	514293164	QQTVPDKABQPLSM-SANMLTNESA-N	557.713	3.601	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cc(C)n(-c4nc[nH]n4)c3C)n2[C@H](C)COC)c1	514373985	CEVTVQPOIQZYAY-GOSISDBHSA-N	586.744	3.684	0	20	KHAD	
C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514375294	MZQRVTCAPYSYFW-HXUWFJFHSA-N	588.731	3.533	0	20	KHAD	
CCn1c(SCC(=O)N[C@H](C)c2ccccc2OC)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514382892	BPFARBSVTUVFJA-GOSISDBHSA-N	529.688	3.728	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)N2CCN(c3ccccc3F)CC2)n1-c1ccc(OC)cc1)N(C)C	514386385	MYUMHTFUVFCBHD-QFIPXVFZSA-N	512.655	3.869	0	20	KHAD	
Cc1nnsc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)sc2C1	1821555135	WFHQYEHZIUZLRQ-CYBMUJFWSA-N	500.009	3.886	0	20	KHAD	
CN(c1ccc(OCC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1)S(=O)(=O)c1cccs1	514291059	BKNPGMITBCNFFA-OAQYLSRUSA-N	503.646	3.888	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)c1	514304684	WIOAGPSFYNDNKT-UHFFFAOYSA-N	586.740	3.860	0	20	KHAD	
CCCn1c(CCC(=O)NCC2(N(C)C)CCCCC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514380311	HVGRPTSWSKOJLG-UHFFFAOYSA-N	503.713	3.544	0	20	KHAD	
CCCCCn1c(CCC(=O)NCc2ccc(Cn3cccn3)cc2)nc2c1c(O)nc(=O)n2CCCC	514389957	SWXIZXLEUBMRRS-UHFFFAOYSA-N	519.650	3.783	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Sc3nnc(Cc4cccs4)n3C3CC3)CC2)cc1	514395457	LAMRGKZAPQGRMK-SFHVURJKSA-N	531.729	3.587	0	20	KHAD	
COc1ccc([C@@H]2CCCN2C(=O)CSc2nnc(N3CCOCC3)n2-c2ccc(C)cc2)cc1OC	514395732	RMNZHKZVCMLHOW-QFIPXVFZSA-N	523.659	3.885	0	20	KHAD	
CCCNC(=O)CSc1nnc(SCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)s1	514292939	QCRQGFDKCXBOHN-UHFFFAOYSA-N	555.073	3.665	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514295801	HJNSABXZDOPIRK-UHFFFAOYSA-N	644.738	3.756	0	20	KHAD	
O=C(CN1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1)Nc1ccc(OC(F)(F)F)cc1	514300744	SRBWBUGGWCINFS-MRXNPFEDSA-N	522.351	3.888	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)c(O)nc1=O	514380185	YVQZVKRCRQCJAD-UHFFFAOYSA-N	537.617	3.660	0	20	KHAD	
Cc1nc(N)sc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3ccc(Cl)cc3nn1)CC2	1815141752	JGMDKHAQNMZTKC-LBPRGKRZSA-N	500.009	3.626	0	20	KHAD	
COc1ccc(CN2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccccc3Br)CC2)cc1F	514300146	KNQONPZTCASVMR-OAQYLSRUSA-N	538.483	3.793	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(O)nc1=O	514303937	RAOZDKULUGGDCK-UHFFFAOYSA-N	523.638	3.542	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCC(=O)Nc3cc(C)on3)n2[C@H](C)COC)c1	514377381	SWJWAALLHHWCOC-MRXNPFEDSA-N	536.680	3.600	0	20	KHAD	
CCOCCCn1c(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nc2cc(Cl)ccc2c1=O	514381869	WENLXUHBTJQRQS-MRXNPFEDSA-N	553.106	3.846	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(=O)Nc3ccccc3)n2[C@@H](C)COC)c1	514402749	MENKTKCFXDKWAZ-SFHVURJKSA-N	560.702	3.623	0	20	KHAD	
CC(C)(C)OC(=O)[C@]1(Cn2cccn2)C[C@@H](C(=O)O)[C@H](c2cncs2)N1C(=O)OCc1ccccc1	215156397	ZQKYAXPZIZMLGM-RQBNJVACSA-N	512.588	3.905	0	20	KHAD	
CC1CCN([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2cccs2)CC1	514294307	ZXJIWERHYPGRFE-QFIPXVFZSA-N	533.716	3.509	0	20	KHAD	
Cc1nc(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c2cc(-c3ccccc3)sc2n1	514298854	ACWUIKRQJSHIGT-RTBURBONSA-N	517.698	3.954	0	20	KHAD	
CCCCN/C(S)=C(/C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)[n+]1ccc2c(c1)CCCC2	27322607	WTHUWQBCLQUIAQ-GOSISDBHSA-O	500.710	3.892	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)c1	514295788	HASDLDHZQFVGKA-SFHVURJKSA-N	506.694	3.790	0	20	KHAD	
COc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)cc1OC	514389895	QNWQHNHXWHKJNK-UHFFFAOYSA-N	502.511	3.950	0	20	KHAD	
CC(C)CCn1c(CN2CCC(C(=O)N3CCCCC3)CC2)nc2c1c(O)nc(=O)n2Cc1ccccc1	514401540	YNPMABGHFYWCIK-UHFFFAOYSA-N	520.678	3.618	0	20	KHAD	
CCCCn1c(SCC(=O)NCc2ccc(OC)c(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514375196	LSJHDZIXJHKRSB-UHFFFAOYSA-N	520.677	3.512	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1	514377163	ZHSWDQOKXBEAKP-QFIPXVFZSA-N	554.090	3.509	0	20	KHAD	
CCn1c(CCC(=O)N2CCCSc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514382658	UOHQPYWKOVNDGV-UHFFFAOYSA-N	514.673	3.539	0	20	KHAD	
Cc1ccc(-n2c(S[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)nc3sc4c(c3c2=O)CCCC4)cc1C	514388575	PPBWGZMLRSNLNM-IAGOWNOFSA-N	531.725	3.727	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CN1CCC(C(=O)NCc2ccccc2)CC1	514391363	HZQPVGKUMFMATL-UHFFFAOYSA-N	526.703	3.607	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)nc2cc(C(=O)OC)ccc2c1=O	514395438	KHKLWWUVXNVYOA-IRXDYDNUSA-N	543.642	3.595	0	20	KHAD	
CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1	514405150	QZHUVSVYCMIDCU-FQEVSTJZSA-N	534.524	3.871	0	20	KHAD	
CNc1nsnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4c(Cl)ccnc4c3)sc2C1	1823896855	YXGJJBMNTXEELW-LLVKDONJSA-N	500.009	3.778	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1	514381655	MWYYWBYFSJKRNH-NRFANRHFSA-N	576.162	3.562	0	20	KHAD	
O=C(N[C@@H](CN1CCOCC1)c1ccccc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514387675	ICRMAUXSNBMLTQ-QFIPXVFZSA-N	526.486	3.584	0	20	KHAD	
CCOc1ccc([C@@H](NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)C(C)C)cc1OCC	514389375	FIVACQKFWAVSAI-LJAQVGFWSA-N	572.728	3.838	0	20	KHAD	
CCCN(C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1	514395607	OHMLRRGJXKTEFZ-OXJNMPFZSA-N	564.531	3.998	0	20	KHAD	
Cc1cc(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c(C)n1[C@H]1CCS(=O)(=O)C1	514403574	NRCNQOSYHRSJRY-INIZCTEOSA-N	509.451	3.987	0	20	KHAD	
CCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1)c1c(O)nc(=O)n(CCCC)c1N	514303440	NFPRLKGEUHADOV-UHFFFAOYSA-N	583.711	3.928	0	20	KHAD	
Cc1ccccc1-n1c(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)nnc1-c1cccnc1	514374979	JAIMFJOILDOLGZ-UHFFFAOYSA-N	562.700	3.920	0	20	KHAD	
COCCN(C(=O)CSc1nnc(-c2ccco2)n1[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2)c1c(O)nc(=O)n(CC(C)C)c1N	514376810	SBBUVVYZGYYGJS-LWYYNNOASA-N	585.731	3.808	0	20	KHAD	
CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1	514377454	WEJXOFLKMUIYTK-UHFFFAOYSA-N	542.485	3.824	0	20	KHAD	
COc1cc(CCNC(=O)CN(C)CC(=O)Nc2ccc(Br)cc2C)ccc1OC(F)F	514386836	DXMGEKLIIKEQIN-UHFFFAOYSA-N	514.367	3.597	0	20	KHAD	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)C1=Cc2cc(Br)ccc2OC1	514393606	GYKWDUSEMGZKCP-UHFFFAOYSA-N	500.393	3.537	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	514404722	KEJYZSYNGKGVKJ-CALCHBBNSA-N	500.621	3.898	0	20	KHAD	
Cn1nccc1-c1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccnnc2)CC3)sc1Cl	1816061392	WQZQNROIKMHKRV-GFCCVEGCSA-N	500.009	3.588	0	20	KHAD	
Nc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(-c5ccc(Cl)cc5)[nH]n4)sc3C2)s1	1821554898	JBYFSNVUODWTFQ-GFCCVEGCSA-N	500.009	3.765	0	20	KHAD	
CC(C)(C)OC(=O)[C@]1(Cn2ccnc2)C[C@@H](C(=O)O)[C@H](c2cncs2)N1C(=O)OCc1ccccc1	215157877	OHSCCJGQFCHGBV-RQBNJVACSA-N	512.588	3.905	0	20	KHAD	
CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N[C@@H](c2ccc([C@@H](C)CC)cc2)C(C)C)c(O)nc1=O	514300044	LNGZJYTTXBQPLT-YADARESESA-N	529.682	3.728	0	20	KHAD	
CN(Cc1ccc(Br)s1)C(=O)CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	514300563	YRRKXMAEGGUSHS-UHFFFAOYSA-N	592.603	3.792	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)c1	514376805	HAGGTJRXNQRQLP-UHFFFAOYSA-N	558.730	3.946	0	20	KHAD	
COCCn1c(SCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)nc2cc(Cl)ccc21	514381702	OOGQUPDICXBHGB-SFHVURJKSA-N	500.086	3.777	0	20	KHAD	
CS(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)c1	514291489	FDXNMYGARWWIQM-UHFFFAOYSA-N	505.662	3.507	0	20	KHAD	
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	514293408	UPWBWXNHUDTNKE-FQEVSTJZSA-N	531.725	3.947	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@@H](O)COc3ccc(F)cc3)n2[C@@H](C)COC)c1	514377258	PEJMNTVCSNAPRD-RXVVDRJESA-N	552.694	3.854	0	20	KHAD	
Nc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(-n5cccn5)cc4Cl)sc3C2)cs1	1823182249	ANCFNFYEATYGCP-LLVKDONJSA-N	500.009	3.561	0	20	KHAD	
Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)no1	514293155	QLLLIDJAWHRHLR-IBGZPJMESA-N	549.719	3.847	0	20	KHAD	
CCOC(=O)c1oc2ccccc2c1CSc1nnc([C@@H](CC)N(C)C)n1CCN1CCOCC1	514294331	WODZRXOLIZJTEC-HXUWFJFHSA-N	501.653	3.838	0	20	KHAD	
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc(NC(=O)CSc3nncn3C)c2)CC1	514296142	MHEDYDJZZBCVKU-UHFFFAOYSA-N	584.768	3.607	0	20	KHAD	
CCCCn1c(CCC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514299144	AUFBIIAOXBVRSW-JOCHJYFZSA-N	579.727	3.590	0	20	KHAD	
CCOC(=O)c1c(CC(C)C)csc1NC(=O)CSc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O	514390618	QSRYYCVNNQJXPO-UHFFFAOYSA-N	555.686	3.628	0	20	KHAD	
O=C(COc1c(Cl)cccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514296866	QZQGBVNJWYSDIS-UHFFFAOYSA-N	543.347	3.973	0	20	KHAD	
O=C(CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)Nc1ccc(F)cc1Cl	514302162	CJNFERQRYFZLES-UHFFFAOYSA-N	511.019	3.541	0	20	KHAD	
O=C(CCCNC(=O)c1ccco1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F	514382103	GLVFSOZESWCTAK-UHFFFAOYSA-N	531.553	3.934	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@@H](O)Cc3ccccc3)n2[C@@H](C)COC)c1	514382654	ULPLLZRDRWNLLT-UGKGYDQZSA-N	518.705	3.879	0	20	KHAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	514378281	DYIUHPXDYZOXBB-KRWDZBQOSA-N	512.994	3.907	0	20	KHAD	
COc1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	514379169	OANGTRYFFZWCJD-HUUCEWRRSA-N	515.053	3.671	0	20	KHAD	
CSCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)c1nnc2ccccn12	514390059	WNJYVBHAPRBHDV-WFXMLNOXSA-N	501.678	3.620	0	20	KHAD	
CCCn1c(CCC(=O)N(C)Cc2nc(O)c3sccc3n2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514392505	WXYZBVJMSSBCPB-UHFFFAOYSA-N	542.687	3.532	0	20	KHAD	
CCCn1c(CS[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395047	BBXYPKZGEIHCEJ-UGKGYDQZSA-N	558.726	3.729	0	20	KHAD	
Cc1ncc(/C=C/C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(Cl)c4nncn4c2)CC3)s1	1827121542	NJEKDHIJYMJRKH-MASHWEEQSA-N	500.009	3.543	0	20	KHAD	
CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1	514292326	MCJRDLGMXJKETE-KXBFYZLASA-N	513.664	3.859	0	20	KHAD	
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N2CCCC2)cc1	514293688	VVIZDWLUYXOLRM-DEOSSOPVSA-N	506.068	3.703	0	20	KHAD	
CCCCn1c(SCC(=O)N(CCC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nnc1[C@H](CC)N(C)C	514294291	VYVJGMZMKVSMTG-FQEVSTJZSA-N	556.737	3.519	0	20	KHAD	
Cc1cc(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)c(C)n1[C@@H]1CCS(=O)(=O)C1	514303643	XPWWXHDYKVBEAU-OAQYLSRUSA-N	513.689	3.616	0	20	KHAD	
CC[C@@H](C)n1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514375025	JZNLALRRMMZQCJ-MRXNPFEDSA-N	524.713	3.663	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@H](O)Cc3ccccc3)n2[C@@H](C)COC)c1	514382653	ULPLLZRDRWNLLT-SIKLNZKXSA-N	518.705	3.879	0	20	KHAD	
O=C(CSc1nc2ccccc2n1CCc1ccccc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514383727	JEXFRLNQUZMCMV-VXKWHMMOSA-N	513.685	3.566	0	20	KHAD	
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1	514402991	VBRNNQRCDQKPII-HOCLYGCPSA-N	549.534	3.534	0	20	KHAD	
COCCn1c(S[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2sc3c(c2c1=O)CCCC3	514292559	LSFKNPQSVUNSGI-KRWDZBQOSA-N	553.710	3.900	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(N3CCC[C@@H](C)C3)n2Cc2ccco2)cc1	514393364	XYSUMYYEXKZHJA-LJQANCHMSA-N	546.719	3.917	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3cnc4c(Cl)cccn34)sc2C1)c1snnc1C1CC1	1816078404	WHUAPQPVIFMOJR-LLVKDONJSA-N	500.009	3.713	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nnsc1C1CC1)CC2)c1cn2ccc(Cl)cc2n1	1818588391	AVHDWNFXWZXKKR-LBPRGKRZSA-N	500.009	3.713	0	20	KHAD	
Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)nc5sccn45)sc3C2)c(Cl)c1	1821156803	JFWJMUQODRRWEQ-LBPRGKRZSA-N	500.005	3.714	0	20	KHAD	
O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1	514299577	GAKBZZAAYIYNAA-UHFFFAOYSA-N	515.586	3.989	0	20	KHAD	
COc1cc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1Cl	514379003	KVABXKAFTUXXMR-UHFFFAOYSA-N	524.039	3.621	0	20	KHAD	
COc1ccc(S(=O)(=O)NCC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1OC	514390177	AIVXNZCHNQLJAI-UHFFFAOYSA-N	510.037	3.651	0	20	KHAD	
CCCCn1c(CSc2nnc(N3CCOCC3)n2CC(C)C)nc2c1c(O)nc(=O)n2Cc1ccccc1	514391044	FCWLCUNUMQOIQC-UHFFFAOYSA-N	552.705	3.523	0	20	KHAD	
O=C1CSc2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3ccc(Cl)cn3)CC4)ccc2N1	1816973336	MWIIMKUXXJXKSU-CYBMUJFWSA-N	500.005	3.775	0	20	KHAD	
O=C1CSc2ncc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3ccc(Cl)cc3)CC4)cc2N1	1824222768	LDDOXCDZBYVKRB-CQSZACIVSA-N	500.005	3.775	0	20	KHAD	
CCOc1cc2c(cc1CNC(=O)CCc1nc3cc(S(=O)(=O)N(CC)CC)ccc3n1C)O[C@@H](C)C2	514299125	AKGIOABMQNNQGQ-SFHVURJKSA-N	528.675	3.575	0	20	KHAD	
CCCn1c(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514385635	OVYJQVRMXIDMSE-UHFFFAOYSA-N	577.773	3.915	0	20	KHAD	
CC(C)Cn1c(SCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)nnc1N1CCOCC1	514386576	TYKMPTHTECIDQY-QHCPKHFHSA-N	503.669	3.538	0	20	KHAD	
CCCCn1c(SC[C@H](O)COCc2ccc(OC)c(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514401076	LHEIBDUSBXBFSB-LJQANCHMSA-N	537.704	3.774	0	20	KHAD	
COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)c1	514401102	MEWZGCPVGLWVSM-UHFFFAOYSA-N	577.025	3.521	0	20	KHAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1	514297348	VEVFNZFQZXQAQV-KRWDZBQOSA-N	510.509	3.778	0	20	KHAD	
CN(C)Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)cc1	514383111	GKEVYMDJSWHVMA-UHFFFAOYSA-N	573.351	3.990	0	20	KHAD	
CCOc1ccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1S(=O)(=O)N(C)C	514385644	PGUCTXXUJDOEFG-DHUDBDOYSA-N	505.681	3.631	0	20	KHAD	
CC(C)c1ccccc1NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514382329	JMNXIIGHFBYBBR-UHFFFAOYSA-N	500.665	3.872	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2nnc(C3CC3)s2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514394024	FYKILLGCDRUARA-UHFFFAOYSA-N	502.666	3.921	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1snnc1C1CC1)CC2)c1cn2cc(Cl)ccc2n1	1818113532	OHXXUTJBIKBMBV-GFCCVEGCSA-N	500.009	3.713	0	20	KHAD	
C[C@]1(F)[C@@H](n2ccc(O)nc2=O)O[C@@H](COC(=O)c2ccccc2)[C@H]1c1cc(Cl)ccc1C(=O)O	2048529212	QKKDQHNVBBFJCC-XWPSFPKYSA-N	502.882	3.567	0	20	KHAD	
CCCCn1c(SCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514389910	RBCQOERGSFTMDM-UHFFFAOYSA-N	558.730	3.555	0	20	KHAD	
COc1ccc(C)cc1/C(O)=C(/C(=S)NCc1ccc([S@](=N)(=O)O)cc1)[n+]1cccc(CO)c1	1338307822	CISPKBFQKFVNDR-UHFFFAOYSA-O	500.622	3.663	0	20	KHAD	
CCOc1ccc(CCn2c(S[C@H](C)C(=O)NC(N)=O)nnc2-c2ccc(OC)cc2)cc1OCC	514291052	CMEAPOBXZXGLLW-MRXNPFEDSA-N	513.620	3.669	0	20	KHAD	
CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1	514292963	QIYJCAHORASYFQ-FPOVZHCZSA-N	513.685	3.914	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c(O)nc1=O	514299383	DVLUYILLIGCOIJ-UHFFFAOYSA-N	551.673	3.996	0	20	KHAD	
C[C@@H](Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1	514302694	QDUDVPNEBDFEOQ-GOSISDBHSA-N	529.066	3.575	0	20	KHAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	514376584	OJYQHSKPFDQAIE-CVDCTZTESA-N	524.039	3.793	0	20	KHAD	
Cc1c(NC(=O)CSCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)c(=O)n(-c2ccccc2)n1C	514377136	YICXKDNFSSTLMH-UHFFFAOYSA-N	640.832	3.960	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Br)ccc3N3CCOCC3)CC2)cc1	514381981	CJGQNGODSXUJKW-UHFFFAOYSA-N	550.475	3.528	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1	514388860	UEGWHYJJRARLQK-JOCHJYFZSA-N	551.665	3.750	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)Sc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)c(O)nc1=O	514395604	OHHSEIPJSYHYLG-MRXNPFEDSA-N	579.123	3.511	0	20	KHAD	
COc1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	514379167	OANGTRYFFZWCJD-GASCZTMLSA-N	515.053	3.671	0	20	KHAD	
O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	514383741	JFEAHECLZRLHIU-NZQKXSOJSA-N	520.424	3.954	0	20	KHAD	
CCOc1ccc([C@H](CNC(=O)CCCN2C(=O)NC(C)(C)C2=O)c2c[nH]c3ccccc23)cc1OC	514389839	OQOKDEHWWNMMKZ-FQEVSTJZSA-N	506.603	3.934	0	20	KHAD	
CN(C)S(=O)(=O)c1ccccc1CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	514393773	JRCRIZFAIWPMTC-UHFFFAOYSA-N	504.962	3.537	0	20	KHAD	
COc1cc(CNC(=O)CSc2nnc(N3CCC(C)CC3)n2Cc2ccco2)cc(OC)c1OC	514394089	ORRQGHGLIYNVTE-UHFFFAOYSA-N	515.636	3.590	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)nnc1-c1ccc(OC)c(OC)c1	514395895	WPRHRVFYWAOISI-QUCCMNQESA-N	542.658	3.778	0	20	KHAD	
C[C@H]1CCc2c(sc3nc([C@H](C)N4CCC(C(=O)Nc5ccc(S(N)(=O)=O)cc5)CC4)nc(O)c23)C1	514401080	LITPCNPARKMYQR-GJZGRUSLSA-N	529.688	3.581	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1	514401491	WTPPFDPEQNFAQQ-UHFFFAOYSA-N	575.753	3.702	0	20	KHAD	
CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514375087	KMGZMKVVRDNIFY-LVCYWYKZSA-N	505.710	3.783	0	20	KHAD	
CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1-c1ccc(C)cc1	514386499	QDCSFXDNSIDFAJ-FQEVSTJZSA-N	522.675	3.552	0	20	KHAD	
Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCCN(S(C)(=O)=O)CC3)cc12	514395049	BCUZJGHMECTASC-UHFFFAOYSA-N	501.461	3.869	0	20	KHAD	
C[C@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	514293270	TVEUSJAMEOOZIS-INIZCTEOSA-N	532.592	3.575	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2nnc(SCc3ccccc3)s2)c(O)nc1=O	514303892	QFPXTZDRJQHPIZ-UHFFFAOYSA-N	559.718	3.883	0	20	KHAD	
COC(=O)C1CCN(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(OC)cc2)CCCC4)CC1	514375051	KMVKEWLBUOOARM-UHFFFAOYSA-N	527.668	3.838	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCc3ccc(OC)cc3)n2[C@@H](C)COC)c1	514375317	NNPRDRWXDHMAGQ-IBGZPJMESA-N	561.730	3.600	0	20	KHAD	
COCCNC(=O)CSc1ccccc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	514380222	JSBMBSXEFXFYHE-UHFFFAOYSA-N	516.973	3.571	0	20	KHAD	
CCc1c(C)sc2nc(SCC(=O)Nc3ccccc3SCC(N)=O)n(C[C@H]3CCCO3)c(=O)c12	514404392	FUIRLTDWEOVADF-OAHLLOKOSA-N	532.713	3.816	0	20	KHAD	
Cc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1S(=O)(=O)NCc1ccccc1	514405552	XHXLEQGVPVINPW-QHCPKHFHSA-N	507.660	3.811	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3nnsc3C3CC3)sc2C1)c1cn2c(Cl)cccc2n1	1817706491	KOTRTSXHGBRDQS-NSHDSACASA-N	500.009	3.713	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)o2)cc1	514299502	HAQKVNGHHZBSND-UHFFFAOYSA-N	543.694	3.865	0	20	KHAD	
O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1	514394062	HDQBEBXJNAECSM-JOCHJYFZSA-N	500.621	3.804	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514396000	YZGAEJOOLILKND-SFHVURJKSA-N	557.698	3.964	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1c(O)nc(=O)n(CCCC)c1N	514292165	MIMLYBDRWGJHGX-UHFFFAOYSA-N	611.165	3.711	0	20	KHAD	
CC(C)CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1	514392285	WNQRQACLDYYCIY-HXUWFJFHSA-N	511.648	3.961	0	20	KHAD	
O=C(Nc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1)C1CC1	514404568	ILTHWZIZECKVSS-UHFFFAOYSA-N	512.451	3.899	0	20	KHAD	
COc1ccc(C(OC[C@H]2S[C@@H](n3nnc4c(O)nc(NC(=O)C(C)C)nc43)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	725326862	BKVFTAHYMFRENJ-CRDHKZEPSA-N	672.764	3.883	0	20	KHAD	
CCCCn1c(CCC(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514296950	TZIRPKOENOMLMS-QHCPKHFHSA-N	633.837	3.698	0	20	KHAD	
Cc1ccc(/C=C/c2nc(SCC(=O)N3CCc4cc(S(=O)(=O)N5CCCCC5)ccc43)n[nH]2)o1	514302737	ROUDNRJSELELGC-JXMROGBWSA-N	513.645	3.733	0	20	KHAD	
Nc1ccc2c(CSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)n3C3CCCC3)cc(O)nc2n1	514376121	CHZLWHOJZABPHO-UHFFFAOYSA-N	567.697	3.604	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(N3CCCC3)cc2C)c(C(=O)OC)c1C	514380979	ULCLIKGZHWPUSO-IBGZPJMESA-N	583.754	3.577	0	20	KHAD	
CCCCCn1c(SCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3	514405126	QCZYPUURGIQLTI-MRXNPFEDSA-N	511.735	3.655	0	20	KHAD	
Cc1ncc(/C=C/C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(Cl)c5nncn5c4)sc3C2)s1	1819681192	JHXQZTZGZLOHTN-MASHWEEQSA-N	500.009	3.543	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2[C@H](C)COC)c1	514291579	GPMUIRBYEBNYQJ-GOSISDBHSA-N	575.713	3.685	0	20	KHAD	
COc1cccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)N2CCCC2)c1	514299665	MSPRQYFNSJMLOQ-MHZLTWQESA-N	511.688	3.538	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CC(=O)OC(C)C)c3ccc(C)cc3)CC2)cc1	514389226	DDHISXGXOAUBRT-RUZDIDTESA-N	514.644	3.798	0	20	KHAD	
O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1	514394234	KGMLMKWXAVQUIJ-DEOSSOPVSA-N	526.659	3.515	0	20	KHAD	
O=C(CCSc1nnc(CN2CCCC2)n1-c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1	514394949	XKNKSGCDZRTZSB-UHFFFAOYSA-N	540.715	3.769	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c(O)nc1=O	514294167	WXDIWTBSGJVPSQ-UHFFFAOYSA-N	527.622	3.781	0	20	KHAD	
CC(=O)NCCc1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)n2)cc1	514384133	MIQMZEHFNMFMBX-UHFFFAOYSA-N	584.720	3.689	0	20	KHAD	
O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514390642	RSXDUPJJDZYWFQ-UHFFFAOYSA-N	536.050	3.765	0	20	KHAD	
CC(=O)NCCCc1ccc(-c2csc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)n2)cc1	514391450	JZKPCURPLQXLGK-NRFANRHFSA-N	545.687	3.523	0	20	KHAD	
CCOC(=O)Cc1csc(NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Br)n1	514392535	XNSVDXUMYNKPGL-OAHLLOKOSA-N	500.440	3.501	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1	514393843	MVUNMLBTKPVALZ-UHFFFAOYSA-N	513.620	3.528	0	20	KHAD	
O=C(CSCCOc1cccc(Br)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	514405016	QEWPMNOXYUKLGH-UHFFFAOYSA-N	549.896	3.874	0	20	KHAD	
COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O	514405376	UPSDYTNQEHQPML-OALUTQOASA-N	564.458	3.762	0	20	KHAD	
Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(=O)nc4sccn24)CC3)c1Cl	1827636557	KPRGSEHVIQNRLZ-GFCCVEGCSA-N	500.005	3.714	0	20	KHAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1	514293655	UMAOLGWPLJKQRD-RPBOFIJWSA-N	586.732	3.946	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)NCCSc3ccc(C)cc3)nnc12	514299970	JLDAUUCLOOGFBO-UHFFFAOYSA-N	511.673	3.780	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CSc2nc3sccc3c(=O)n2C)c1	514385586	NGYYCLMNEZAUOB-UHFFFAOYSA-N	524.690	3.544	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)n1-c1ccc(OC)cc1)N(C)C	514386563	SMJGRDLVXLRREE-FQEVSTJZSA-N	540.646	3.890	0	20	KHAD	
CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1nnc(NCCc2cccs2)s1	514390770	BXEYYXBDCHNPFL-UHFFFAOYSA-N	523.731	3.576	0	20	KHAD	
CCCN(C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1	514395609	OHMLRRGJXKTEFZ-UZLBHIALSA-N	564.531	3.998	0	20	KHAD	
O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514382877	XJEDWJGQGDQWIK-UHFFFAOYSA-N	571.544	3.996	0	20	KHAD	
CCCn1c(CCC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514391556	MMQVGUXDDNPSBE-UHFFFAOYSA-N	561.104	3.947	0	20	KHAD	
Cc1cc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)c3c(C)noc3n2)c(C)o1	514393465	BTRLKYSQZWYNJZ-UHFFFAOYSA-N	581.651	3.518	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nnc(N3CCCCC3)n2C[C@@H]2CCCO2)cc1S(=O)(=O)N(CC)CC	514394715	ZRYCENZSIPBFMH-NRFANRHFSA-N	580.777	3.607	0	20	KHAD	
COc1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)ccc1N1CCCC1=O	514401913	BOJWALGWEREEES-ROUUACIJSA-N	515.632	3.750	0	20	KHAD	
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc([C@@](O)(CC)C(=O)O)c(CO)c(=O)n1C2	4099097	DCYPPLWVDXGNOW-XIFFEERXSA-N	604.704	3.611	0	20	KHAD	biogenic,in-vitro
COc1ccc(-n2c(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2)cc1	514290943	DAGKYFJAYMGPQA-NRFANRHFSA-N	514.673	3.707	0	20	KHAD	
Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)CC1	514383248	FLDMBMZVUZBDQB-QFIPXVFZSA-N	505.644	3.892	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)c1	514385679	QSXZRHUOFPKTLK-UHFFFAOYSA-N	549.715	3.576	0	20	KHAD	
CS(=O)(=O)c1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)n2)cc1	514388521	VWTLFLRWEOOZDW-UHFFFAOYSA-N	545.708	3.742	0	20	KHAD	
Cc1ccccc1-n1c(SCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)nnc1N1CCOCC1	514391364	IAQNPUUWHHFLMT-UHFFFAOYSA-N	531.686	3.682	0	20	KHAD	
COc1ccc(-c2noc(CN3CCN(C(=O)[C@@H]4CCCN(C(=O)c5ccc(Cl)cc5)C4)CC3)n2)cc1	514391376	IMFKNLXSITUQGE-OAQYLSRUSA-N	524.021	3.595	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(C(=O)OC)c1C	514297271	RBXFOAJFEMZCAX-ZDUSSCGKSA-N	601.071	3.923	0	20	KHAD	
O=C(CSc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514374746	GXIJWDXMXKJTSN-UHFFFAOYSA-N	622.720	3.606	0	20	KHAD	
CCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@H](C)C3)[C@H]1CCS(=O)(=O)C1	514375356	OXQNLJMLKVZMME-HOTGVXAUSA-N	511.735	3.511	0	20	KHAD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1	514379434	UNWGXTUNDKWYEC-WOJBJXKFSA-N	508.619	3.914	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514380058	ICTUIKNSQJMRBL-WOJBJXKFSA-N	515.632	3.723	0	20	KHAD	
CCOC(=O)C1CCN(Cc2nnc3n(-c4ccc(OCC)cc4)c(=O)c4ccc(Cl)cc4n23)CC1	514380154	GRPHWIHZCLRHEU-UHFFFAOYSA-N	509.994	3.861	0	20	KHAD	
Cc1ccn2c(CN3CCN(C(=O)c4sc5nc6n(c(=O)c5c4C)CCCCC6)CC3)c(C)nc2c1	514384063	KHELGNFZCFSVGI-UHFFFAOYSA-N	504.660	3.715	0	20	KHAD	
Cn1ncc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2csc(-c4cccnc4)n2)CC3)c1Cl	1821008777	ASAIUNPIDWGGIA-GFCCVEGCSA-N	500.009	3.588	0	20	KHAD	
O=S(=O)(c1cccc(-c2nnc(SC[C@@H](O)COc3ccccc3F)n2C2CCCC2)c1)N1CCOCC1	514376954	VQULYUXWRDEZPM-NRFANRHFSA-N	562.689	3.752	0	20	KHAD	
COc1cc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCCOC(C)C)cc(OC)c1OC	514381639	MMGKVWCSINCLDY-UHFFFAOYSA-N	533.647	3.565	0	20	KHAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)c(O)nc1=O	514385406	HNHVXNNJJGYBPB-UHFFFAOYSA-N	566.709	3.726	0	20	KHAD	
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514388394	XVJKASOAKKRTQD-ZEQRLZLVSA-N	514.047	3.930	0	20	KHAD	
COc1ccccc1-n1nnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl	514291244	DCMFVPFUURCKNW-UHFFFAOYSA-N	537.067	3.620	0	20	KHAD	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	514293293	PAEUINMZDOTSQM-UHFFFAOYSA-N	518.614	3.541	0	20	KHAD	
CCc1c(C)sc2nc(S[C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)n(C[C@@H]3CCCO3)c(=O)c12	514293924	UXPGYPLVUOXXIU-ICSRJNTNSA-N	606.792	3.648	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)CC2)c(C(=O)OC)c1C	514377478	XRKWJWDIBXERMC-UHFFFAOYSA-N	615.734	3.654	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O	514384941	XOEDGJWZXAVSQC-SFHVURJKSA-N	535.688	3.611	0	20	KHAD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cccc(OCc3cscn3)c2)CC1	514389991	USNDGTQDEOBZEC-UHFFFAOYSA-N	555.726	3.901	0	20	KHAD	
COc1ccc([C@H]2CCCN2CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c(OC)c1	514400798	AOQRUZBGKMXBEC-HSZRJFAPSA-N	534.579	3.642	0	20	KHAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)c(O)nc1=O	514295867	LQJYYMQUUGPUGI-BGYRXZFFSA-N	577.748	3.699	0	20	KHAD	
CC1(C)NC(=O)N(CCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Oc2ccccc2)C1=O	514300966	VJCAPMFLTDAUBX-UHFFFAOYSA-N	528.631	3.703	0	20	KHAD	
CCCCCNC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)COC	514302188	MBTXODICHHABBF-MOPGFXCFSA-N	525.741	3.970	0	20	KHAD	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)cc2)C[C@@H](C)O1	514377499	YMTPUNNTFKUKNQ-CALCHBBNSA-N	531.034	3.993	0	20	KHAD	
Cc1cccc(Cl)c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)nc3sccn13)CC2	1823414642	QFBIUGQRSVJPPQ-LBPRGKRZSA-N	500.005	3.714	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514296734	PDWBISPIVBFCAO-UHFFFAOYSA-N	620.794	3.523	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccc(Cl)cc3)c3nccn3C)CC2)cc1C	514387961	KKWXSUDASJNAOV-QHCPKHFHSA-N	501.052	3.997	0	20	KHAD	
COc1cc(OC)cc([C@H](NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c2nccn2C)c1	514394012	FIYLFJAAAIQDEX-DEOSSOPVSA-N	512.632	3.521	0	20	KHAD	
O=C(NC1CC1)c1ccc(CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C2CC2)cc1	514401838	GKYYQJCPRBXWJO-UHFFFAOYSA-N	501.674	3.549	0	20	KHAD	
CCOc1cc(Br)c(CC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1OCC	514404672	IAYRPLXZQNHWJX-UHFFFAOYSA-N	525.465	3.759	0	20	KHAD	
CCCn1c(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514290820	AKKJXEZYIOQJLP-UHFFFAOYSA-N	563.746	3.607	0	20	KHAD	
CCCn1c(CCC(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514294123	YYABHOYFWXPQMA-UHFFFAOYSA-N	580.654	3.668	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)CC2)cc1	514296101	PBGHWINZHKHWCH-PMACEKPBSA-N	561.726	3.595	0	20	KHAD	
COc1ccc(NC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1S(=O)(=O)N1CCCCC1	514378158	SUEUMZFBOBZAEC-NLFFAJNJSA-N	533.647	3.538	0	20	KHAD	
CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1	514380812	RBNGFZMTQVXALD-FGZHOGPDSA-N	538.483	3.629	0	20	KHAD	
CC(C)CCn1c(S[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc2c1=O	514388022	LYTIHERVONYICR-INIZCTEOSA-N	537.107	3.583	0	20	KHAD	
CCn1c(CCC(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514296886	RNLGGOWCQJAWSQ-UHFFFAOYSA-N	584.617	3.692	0	20	KHAD	
CCn1c(SCC(=O)NCc2ccc(OC(F)F)cc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514298606	CDQKWNQSGJOBIV-UHFFFAOYSA-N	551.641	3.759	0	20	KHAD	
COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]3CC(=O)OC)cc2)c1C	514300441	OTLJGJBFAQMMHQ-VWLOTQADSA-N	549.624	3.915	0	20	KHAD	
COCCCN(C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1c(O)nc(=O)n(CC(C)C)c1N	514403045	PTHSDADVPUUFQU-UHFFFAOYSA-N	561.005	3.540	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@@H]3CCCO3)CC2)cc1	514293684	VQMBRSYEPWFNSF-VWLOTQADSA-N	555.697	3.553	0	20	KHAD	
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514300461	PQPLYRUEFYDYJC-KRWDZBQOSA-N	521.565	3.906	0	20	KHAD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)c1C	514301328	ZZKBLJFXJNOFKW-UHFFFAOYSA-N	500.646	3.897	0	20	KHAD	
CCCCn1c(CCC(=O)NC2CCN(C(=O)c3ccco3)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514302017	KRYMPCATVVORQU-UHFFFAOYSA-N	557.717	3.814	0	20	KHAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)CSc2nnc(-c3ccc(OC)cc3)o2)c(O)nc1=O	514374658	DQOVCZJDKGZFEI-UHFFFAOYSA-N	516.624	3.561	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nnsc1C1CC1)CC2)c1cn2ccc(Cl)cc2n1	1818588389	AVHDWNFXWZXKKR-GFCCVEGCSA-N	500.009	3.713	0	20	KHAD	
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1C	514291158	CWXYBOPFYHWPFW-QHCPKHFHSA-N	513.660	3.738	0	20	KHAD	
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1=O	514291727	GNGFEAOVLKSVPG-FCHUYYIVSA-N	506.647	3.865	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N[C@H](CC(C)C)c3ccccc3)CC2)c(C(=O)OC)c1C	514301217	XXTCGCFSUFVSCS-HXUWFJFHSA-N	550.699	3.934	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)cc1	514375936	XBLRSQXQYXHEKR-UHFFFAOYSA-N	528.704	3.624	0	20	KHAD	
COc1ccc(C[C@@H](NC(=O)CSCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c2ccc(OC)cc2)cc1	514385111	YYPIYDDRUOLXCZ-HHHXNRCGSA-N	643.784	3.505	0	20	KHAD	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21	514388173	PZJOHGAUYXEPFT-UHFFFAOYSA-N	512.415	3.735	0	20	KHAD	
CC(C)N(CCn1c(S[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1=O)C(C)C	514291276	DLABGTNUTZTOOY-OAQYLSRUSA-N	539.702	3.574	0	20	KHAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514378138	SIUXRMVYKWKQHB-UHFFFAOYSA-N	558.575	3.931	0	20	KHAD	
CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cc2csc(N3CCCC3=O)n2)cc1	514385846	WOYPIDDDARGCEX-UHFFFAOYSA-N	586.692	3.663	0	20	KHAD	
CS(=O)(=O)c1ccc2nc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2c1	514390521	MUTGUUPUCIMXGZ-UHFFFAOYSA-N	521.686	3.836	0	20	KHAD	
Cn1c(CCC(=O)NCc2ccc(OC(F)F)cc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514391010	DQKHYFDJBJNVJE-UHFFFAOYSA-N	506.575	3.598	0	20	KHAD	
CC(C)(C)C(=O)NCCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F	514394173	HLPWIAUNLPMGQW-UHFFFAOYSA-N	507.575	3.683	0	20	KHAD	
CCCCCn1c(CCC(=O)N(C)Cc2ccc(OC)cc2OC)nc2c1c(O)nc(=O)n2CCCC	514293651	ULBDAISHBSQBKC-UHFFFAOYSA-N	513.639	3.897	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1	514381656	MWYYWBYFSJKRNH-OAQYLSRUSA-N	576.162	3.562	0	20	KHAD	
Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c1O	514403540	MIFZJILKQYCMTB-FQEVSTJZSA-N	513.598	3.835	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc2)cc1	514297970	YIZLEMFXCUQUQM-VWLOTQADSA-N	559.710	3.540	0	20	KHAD	
COC(=O)CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nc2ccccc2c1=O	514383427	IZBALPSSPXQGSN-UHFFFAOYSA-N	550.559	3.546	0	20	KHAD	
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1	514383851	MPXZONCDNJWELC-VQTJNVASSA-N	543.715	3.656	0	20	KHAD	
COc1ccccc1-n1c(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)nnc1N1CCCCC1	514384814	XWXZGDFBBREMGT-OAQYLSRUSA-N	547.747	3.707	0	20	KHAD	
CCOc1ccc(CCn2c(SCCC(=O)NC(N)=O)nnc2-c2ccc(OC)cc2)cc1OCC	514392131	RGAYRNJNOZSANS-UHFFFAOYSA-N	513.620	3.671	0	20	KHAD	
O=C(Nc1nc(-c2cccc(-n3cnnn3)c2)cs1)C1CCN(C(=O)c2ccc(Cl)s2)CC1	618078130	VGGHWXIIXCJWDF-UHFFFAOYSA-N	500.009	3.992	0	20	KHAD	
CCCCN(C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C)c1c(O)nc(=O)n(CCCC)c1N	514296180	MMKVICVRUBQCCL-LJQANCHMSA-N	533.695	3.650	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1C)c1c(O)nc(=O)n(CC(C)C)c1N	514376318	HQMONUHWKSVGLA-UHFFFAOYSA-N	568.725	3.944	0	20	KHAD	
CCN(C(C)=O)c1nc(CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2C)cs1	514376715	PZLRGNLCNIDYLP-UHFFFAOYSA-N	508.695	3.634	0	20	KHAD	
CCN(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)Cc1nc(O)c2cc(OC)c(OC)cc2n1	514386872	GWNWWLVYAKOVIJ-UHFFFAOYSA-N	533.551	3.542	0	20	KHAD	
CCCS(=O)(=O)NC1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)CC1	514401854	GXSZCLPPCKUDJD-UHFFFAOYSA-N	514.431	3.885	0	20	KHAD	
O=C(CSc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	514294414	ZBQUHXRCQQSVGN-QFIPXVFZSA-N	552.166	3.957	0	20	KHAD	
CCCCn1c(CCC(=O)NCc2c(C)cc(C)nc2O)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514302689	PTEYBRPIMLYDCG-UHFFFAOYSA-N	515.680	3.833	0	20	KHAD	
Cc1c(NC(=O)[C@H](C)Sc2nc3sc4c(c3c(=O)n2C)CCCC4)c(=O)n(-c2ccccc2)n1C	514374095	HXVYUQGUAOPYCQ-HNNXBMFYSA-N	509.657	3.791	0	20	KHAD	
CCOc1cc(-c2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)o2)cc(OCC)c1OCC	514395121	CRWSGBUTIARYSX-HZPDHXFCSA-N	564.686	3.938	0	20	KHAD	
Cc1nc(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c2cc(-c3ccccc3)sc2n1	514298853	ACWUIKRQJSHIGT-RBUKOAKNSA-N	517.698	3.954	0	20	KHAD	
CC(C)Cn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)nnc1N1CCOCC1	514382742	CIGVFVUJBBGGLJ-SFHVURJKSA-N	500.650	3.895	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O	514385717	SECGHSGEZBJXHQ-SFHVURJKSA-N	546.621	3.583	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1	514385744	SVUGKHHFHKLGGX-UHFFFAOYSA-N	554.496	3.510	0	20	KHAD	
COc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1S(=O)(=O)N1CCCCCC1	514394077	OHAWCVFACPMPQJ-HDICACEKSA-N	522.693	3.578	0	20	KHAD	
O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Nc1cc(Cl)ccc1Cl	514297125	NLPMJAXDBLLQCR-UHFFFAOYSA-N	510.443	3.638	0	20	KHAD	
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O	514298084	XTFQFIWOPJQPQM-OYLFLEFRSA-N	535.022	3.589	0	20	KHAD	
CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)n2)s1	514299452	GOAPCOLQGZAZJS-UHFFFAOYSA-N	510.688	3.535	0	20	KHAD	
CCCCN(C(=O)CSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC)c1c(O)nc(=O)n(CC(C)C)c1N	514376324	HXERLMUMQJVUQO-UHFFFAOYSA-N	607.803	3.513	0	20	KHAD	
COc1ccc(-c2nc(C(=O)NC[C@H](c3ccc(OC)c(OC)c3)N3CCOCC3)cs2)cc1OC	514394753	RMTHBTQPADDVEX-HXUWFJFHSA-N	513.616	3.648	0	20	KHAD	
Cn1ccnc1[C@@H](NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)c1ccc(Cl)cc1	751070752	KZIDATCVXNOBSD-FQEVSTJZSA-N	500.003	3.756	0	20	KHAD	
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1	514296513	RRATXTMSZKLWPV-OYRHEFFESA-N	568.696	3.628	0	20	KHAD	
CN(C)S(=O)(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)c1	514297022	QZBVDDSIZQPKHO-UHFFFAOYSA-N	609.362	3.501	0	20	KHAD	
Cc1nc(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c2cc(-c3ccccc3)sc2n1	514298852	ACWUIKRQJSHIGT-OALUTQOASA-N	517.698	3.954	0	20	KHAD	
CCOc1ccc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)cc1S(=O)(=O)N1CCCCC1	514301221	WPCLTIMCKGKRNS-UHFFFAOYSA-N	509.575	3.687	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1	514377415	UUANDYRHHYXBRC-UHFFFAOYSA-N	686.875	3.546	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)n1CCN1CCOCC1)N(C)C	514386361	MCFVMVXYEXFBSV-URXFXBBRSA-N	546.738	3.822	0	20	KHAD	
CCCn1c(CSCC(=O)Nc2cc(C)ccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514387150	JJSWVLBVIONBES-UHFFFAOYSA-N	516.689	3.956	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)N1CCC(c2nnc3ccccn23)CC1	514387157	JMYBZKZHALYWJK-NRFANRHFSA-N	521.622	3.804	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	514295575	KXSGEMXHBHJJAX-UHFFFAOYSA-N	549.715	3.608	0	20	KHAD	
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1	514387825	LVBXDDAHUHFNAR-UHFFFAOYSA-N	514.431	3.934	0	20	KHAD	
Cc1cc(C)c2c(NC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)c(C(=O)N3CCOCC3)sc2n1	514389443	GZNAKKBEJWANRB-UHFFFAOYSA-N	530.672	3.667	0	20	KHAD	
O=C(Nc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c(O)c1)c1ccc(Cl)c(Cl)c1	514402644	QKIRZIXLWROLDB-INIZCTEOSA-N	506.386	3.662	0	20	KHAD	
C[C@H]1CN(Cc2csc(NC(=O)c3cccc(NS(=O)(=O)c4ccc5c(c4)OCCO5)c3)n2)C[C@H](C)O1	514302500	FVRAKAKSLFFZJQ-IRXDYDNUSA-N	544.655	3.577	0	20	KHAD	
CCc1c(C)sc2nc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n(C[C@H]3CCCO3)c(=O)c12	514375618	SOIUXCXPYYEUOZ-QGZVFWFLSA-N	627.210	3.913	0	20	KHAD	
COc1cc(NC(=O)[C@@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(OC)cc1NC(=O)c1ccccc1	514378644	GORWFNBLGSOJBX-LVCYWYKZSA-N	525.627	3.801	0	20	KHAD	
COc1ccc(-n2c(SCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	514386501	QFQYJIFOTJZGDJ-DEOSSOPVSA-N	583.780	3.664	0	20	KHAD	
COc1ccc(C(=O)N2CCC[C@H](C(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)C2)c2ccccc12	514387364	FEDJPAWDMPBAHB-FQEVSTJZSA-N	549.672	3.890	0	20	KHAD	
CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O	136664450	YIPCTKCPIQXJBP-RQKPWJHBSA-N	520.578	3.591	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@@H]2CCCO2)ccc1OC	514292693	OSAMPEWIHYGEIC-QFIPXVFZSA-N	531.675	3.602	0	20	KHAD	
CCn1c(CCC(=O)Nc2nc3c(C)cccc3s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514297236	YFJGSOLQUISZRM-UHFFFAOYSA-N	513.645	3.567	0	20	KHAD	
Cc1cc(C)n2nc(SCc3ccccc3C(=O)NC[C@@H](c3cccs3)N3CCOCC3)nc2n1	514380663	SCMJVWAMCWMXKG-NRFANRHFSA-N	508.673	3.898	0	20	KHAD	
O=C(CNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(F)c(F)c1F	514390707	TVBGCYIPGHTYRE-UHFFFAOYSA-N	538.592	3.637	0	20	KHAD	
Cc1ccc(-c2csc3nc(SCC(=O)N4CCCC[C@@H]4C(N)=O)n(C[C@@H]4CCCO4)c(=O)c23)cc1	514391894	SETCWXRSEDMPFC-AZUAARDMSA-N	526.684	3.571	0	20	KHAD	
O=C1CSc2cc(C(=O)N[C@H]3CCc4nc(NC(=O)c5ccncc5Cl)sc4C3)ccc2N1	1820414671	OBFAIVVNGYBZFI-LBPRGKRZSA-N	500.005	3.775	0	20	KHAD	
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@H](O)C[C@@H](O)CC(=O)OC(C)(C)C	205545551	IJHZGLLGELSZAF-RXKWHAPPSA-N	537.654	3.659	0	20	KHAD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514377193	MNYFUUFYANCRFJ-UHFFFAOYSA-N	541.592	3.992	0	20	KHAD	
COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3C)nc(=O)c12	514384838	ZHJKKJNZRLDTBK-UHFFFAOYSA-N	541.655	3.872	0	20	KHAD	
Cc1ccc[n+](/C(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)=C(/S)Nc2ccc(C)c(F)c2)c1	27292382	PCWHHEKGNYICIY-UHFFFAOYSA-O	500.641	3.873	0	20	KHAD	
CCn1c(CCC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292031	JJQVQGVZFVZNLN-UHFFFAOYSA-N	594.763	3.663	0	20	KHAD	
CC(C)CCn1c(COc2ccccc2)nnc1SCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1	514376284	GCLCEEFOMBIQHZ-HXUWFJFHSA-N	508.710	3.667	0	20	KHAD	
Cc1ccc(-n2c(SCC(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)nnc2N2CCCCC2)cc1	514386391	NFUYFJSJXUOHFP-UHFFFAOYSA-N	568.748	3.848	0	20	KHAD	
C[C@H]1C[C@H](C)CN(c2nnc(SCC(=O)NCc3ccccc3CN3CCOCC3)n2Cc2ccco2)C1	514394200	IWWDILSIDZJJIW-VXKWHMMOSA-N	538.718	3.642	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1CCN1CCOCC1)N(C)C	514293882	UMUDCUYEEYVYES-OXJNMPFZSA-N	529.538	3.899	0	20	KHAD	
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nnc([C@@H](CC)N(C)C)n2CCN2CCOCC2)nc1C	514374347	AJDIPRMEZMIRCQ-HSZRJFAPSA-N	615.826	3.890	0	20	KHAD	
CCOCCCn1c(SCC(=O)NCC(=O)Nc2cc(C)ccc2OC)nc2cc(Cl)ccc2c1=O	514381920	XMGPNIUXMNZSMK-UHFFFAOYSA-N	533.050	3.641	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nnnn2-c2cccc(C)c2C)cc1S(=O)(=O)N1CCCCC1	514386638	WHNNFFTUCMCGKJ-UHFFFAOYSA-N	530.676	3.583	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nnc(N3CCCCC3)n2C[C@H]2CCCO2)cc1S(=O)(=O)N(CC)CC	514394716	ZRYCENZSIPBFMH-OAQYLSRUSA-N	580.777	3.607	0	20	KHAD	
Cc1ncc(/C=C/C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(Cl)nc4n[nH]cc24)CC3)s1	1827119322	XAMAKLYRLZXUBA-JOAKQRRISA-N	500.009	3.772	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O	514295212	CUBQWZMNQVFUID-HXUWFJFHSA-N	555.653	3.676	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(N3CCOCC3)n2Cc2ccccc2)cc1	514386606	VCSNIBWVGJZCFC-UHFFFAOYSA-N	584.768	3.847	0	20	KHAD	
CS(=O)(=O)NCCc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)cc1	514389488	HXPZIXRTWJAKFP-IBGZPJMESA-N	561.751	3.583	0	20	KHAD	
O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCC(n2c(O)nc3ccccc32)CC1	514389508	HXXCAIQOZHAXHC-UHFFFAOYSA-N	510.538	3.683	0	20	KHAD	
COCCCn1c(SCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1-c1ccccc1Cl	514389909	QYIRODORAJYPAZ-UHFFFAOYSA-N	553.106	3.827	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(C(=O)NC3CC3)cc1)n2CC	514391642	MOOYUADGTYPCHA-UHFFFAOYSA-N	511.648	3.550	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)c3[nH]c(C)c(C(=O)OC)c3C)o2)c1	514291287	DQYPRQVTIQUVBO-HNNXBMFYSA-N	520.633	3.862	0	20	KHAD	
Cc1cc(Br)ccc1NC(=O)CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C	514294092	VPBHXQPIFLHLAH-UHFFFAOYSA-N	576.517	3.506	0	20	KHAD	
CCn1c(SCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)nnc1-c1ccc(Cl)cc1	514296708	NQIPLSWNJBDOEL-QFIPXVFZSA-N	516.067	3.909	0	20	KHAD	
CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)nc1C	514296713	PAXLRHOGQUKUTQ-UHFFFAOYSA-N	506.433	3.974	0	20	KHAD	
COc1ccc(Br)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)c1	514376722	QBJXNPZJNOAXPZ-UHFFFAOYSA-N	538.464	3.721	0	20	KHAD	
C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1cccc(C(F)(F)F)c1)C(=O)N(C)C	514383995	OPQARKNXGDCXCM-INIZCTEOSA-N	569.631	3.543	0	20	KHAD	
O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1	514384853	ZUEGHHKENQFPIE-GOSISDBHSA-N	536.075	3.742	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O	514384940	XOEDGJWZXAVSQC-GOSISDBHSA-N	535.688	3.611	0	20	KHAD	
COc1cc(CN(C)C(=O)CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)ccc1OCc1ccccc1	514393844	MWUYXKKXYYVXND-DEOSSOPVSA-N	567.712	3.632	0	20	KHAD	
CCOc1ccc(N2C(=O)c3ccc(C(=O)N4CCC(C(=O)N5CCC[C@@H](C)C5)CC4)cc3C2=O)cc1	514405604	YJDHPCORSSWQRM-LJQANCHMSA-N	503.599	3.997	0	20	KHAD	
CCCCn1c(SCc2nc(O)c3cc(OC)c(OC)cc3n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514298617	CPEMTHWWUDXKMB-UHFFFAOYSA-N	573.697	3.816	0	20	KHAD	
CC[C@@H](C)N(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1	514299319	LCKYUPXCOPRICC-QGZVFWFLSA-N	550.699	3.858	0	20	KHAD	
COc1ccc(-c2nnc(S[C@@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)n2C[C@@H]2CCCO2)cc1	514374387	BEHVPLJBORAKSK-YOEHRIQHSA-N	549.575	3.786	0	20	KHAD	
CCOCCCn1c(SCC(=O)Nc2nc(CC(=O)OCC)cs2)nc2ccc(Br)cc2c1=O	514381667	NIUKAYROFFEUIK-UHFFFAOYSA-N	569.503	3.879	0	20	KHAD	
CCOC(=O)Cc1csc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)n1	514393349	XPGZKUSFADCEJZ-UHFFFAOYSA-N	520.677	3.666	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N(C)Cc2c(F)cccc2Cl)c(O)nc1=O	514376479	BCIINSNXOKSRNW-UHFFFAOYSA-N	510.010	3.552	0	20	KHAD	
CCOC(=O)Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1	514384961	VSKFMXVYSJRJMF-UHFFFAOYSA-N	506.433	3.595	0	20	KHAD	
O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)NC[C@@H](c1ccccc1Cl)N1CCCC1	514388089	UOOOJKSUYVHSBH-DEOSSOPVSA-N	541.121	3.862	0	20	KHAD	
CCc1ccccc1NC(=O)CN(C)CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	514390878	AGAMVHVICOOCEU-UHFFFAOYSA-N	507.056	3.586	0	20	KHAD	
Cc1cc(Cl)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(=O)nc4sccn24)CC3)c1	1827649661	ORVRUPIBVZZNCH-AWEZNQCLSA-N	500.005	3.714	0	20	KHAD	
CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@@H](CCSC)NS(=O)(=O)c1cc(Cl)ccc1Cl	514300524	NNBLJDICUUDMGX-GOSISDBHSA-N	548.514	3.889	0	20	KHAD	
CCCn1c(CCC(=O)N[C@H]2CCSc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514300661	QULKEPJJOSAZGS-NRFANRHFSA-N	528.700	3.753	0	20	KHAD	
CCCCc1oc2ccccc2c1CN(C)C(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N	514384045	KMOSGEZZNIEGRQ-UHFFFAOYSA-N	555.676	3.694	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccc(O)cc3)n2[C@H](C)COC)c1	514387992	LCSYTUWIIZUWMN-QGZVFWFLSA-N	518.661	3.864	0	20	KHAD	
CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)nc(O)c12	514404957	OQIFECSBTQNJBM-IUODEOHRSA-N	523.706	3.889	0	20	KHAD	
CCCCn1c(CCC(=O)N(CCC)CC(=O)Nc2ccccc2OC)nc2cc(S(=O)(=O)N(C)C)ccc21	514377439	VQCASEVPGFEMLJ-UHFFFAOYSA-N	557.717	3.905	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)CC2)c(C(=O)OC)c1C	514377685	DZKLNZHLUWDJDO-UHFFFAOYSA-N	578.665	3.711	0	20	KHAD	
C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cccc(S(=O)(=O)N4CCc5sccc5C4)c3)CC2)C1	514403339	SZUUIBYGVOZAIO-LJQANCHMSA-N	515.701	3.606	0	20	KHAD	
CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)nc(O)c12	514404956	OQIFECSBTQNJBM-DOMZBBRYSA-N	523.706	3.889	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3n[nH]c4cc(Cl)ccc34)sc2C1)c1snnc1C1CC1	1819275537	WOWZNOWKMYFGFD-NSHDSACASA-N	500.009	3.941	0	20	KHAD	
CO[C@H]1C[C@@H](N(C(=O)CCCc2ccc(Cl)nn2)[C@@H](C(=O)NC(C)C)c2ccc3c(n2)CCC3)C1	2088606446	PDUMCJRETYIQMH-OHUGHZGNSA-N	500.043	3.608	0	20	KHAD	
CCCn1c(CCC(=O)Nc2nc(-c3ccc(CCNC(C)=O)cc3)cs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514300990	UTQMFLOYXBKDFI-UHFFFAOYSA-N	624.789	3.841	0	20	KHAD	
O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514301081	UUWBGMBBWUOBNB-UHFFFAOYSA-N	563.101	3.502	0	20	KHAD	
Cc1ccc(Cl)cc1NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514379984	GLXCPSQBYFGHFY-UHFFFAOYSA-N	521.945	3.661	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)nnc12	514383295	GGTPDXSSWYMIAZ-BBXRDKHSSA-N	552.701	3.746	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccccc3)n2C)c1	514293053	RGRNSGQTMPEGGL-MSOLQXFVSA-N	501.678	3.871	0	20	KHAD	
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl	514297263	RAOMACVDWLMFHD-QRQCRPRQSA-N	592.542	3.882	0	20	KHAD	
CCCCn1c(SCC(=O)c2ccc(CNC(C)=O)s2)nc2cc(S(=O)(=O)N(C)C)ccc21	514299872	JQGIWNQHCJCJMQ-UHFFFAOYSA-N	508.691	3.759	0	20	KHAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nc2ccccc2c(=O)n1CC	514375773	WUPKXOVBCDMPDW-UHFFFAOYSA-N	512.632	3.781	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N(CCC(C)C)c1c(O)nc(=O)n(Cc3ccccc3)c1N)n2CC(C)C	514378692	VIHFYPYDQOXJLM-UHFFFAOYSA-N	620.755	3.659	0	20	KHAD	
CCCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nc2cc(S(N)(=O)=O)ccc21	514381658	MXMSTNYOSQAYCA-UHFFFAOYSA-N	557.620	3.680	0	20	KHAD	
O=C(CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	514383033	FDMLXFRPSZXYMN-NRFANRHFSA-N	538.139	3.961	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)n1-c1ccc(OC)cc1)N(C)C	514386564	SMJGRDLVXLRREE-HXUWFJFHSA-N	540.646	3.890	0	20	KHAD	
Cc1cn2c(=O)c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3ccc(Cl)cc3)CC4)cnc2s1	1818511493	MMEZVHNKLLRDNF-CQSZACIVSA-N	500.005	3.714	0	20	KHAD	
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O	514295955	HGTRFNJDNJAQPW-OALUTQOASA-N	520.007	3.653	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514297696	ZJLSJBMNOCMSIR-UHFFFAOYSA-N	659.627	3.707	0	20	KHAD	
COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1S(=O)(=O)N1CCOCC1	514300565	OKIMGYGWCKAJEP-UHFFFAOYSA-N	513.538	3.587	0	20	KHAD	
COc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)ccc1OC(F)F	514300810	QZTGRUMVADIEMV-UHFFFAOYSA-N	539.420	3.838	0	20	KHAD	
O=C(Cc1csc(-c2ccccn2)n1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1	514390511	MHTXMKCYFLGING-UHFFFAOYSA-N	541.699	3.788	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nnc(CN3CCCC3)n2Cc2ccccc2)ccc1C	514291451	GGNQOQMIPJUDRW-UHFFFAOYSA-N	556.758	3.992	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)CC2)cc1OC	514299716	PDHNWHDWIBPHKO-QFIPXVFZSA-N	535.732	3.755	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514375298	NDXMAJRZNBAGJI-DLBZAZTESA-N	520.652	3.574	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1c(O)nc(=O)n(CCCC)c1N	514377147	YUDCQGBMCXKSAO-UHFFFAOYSA-N	604.774	3.756	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514377738	HFBCIDPIGCDXKR-LJQANCHMSA-N	619.684	3.772	0	20	KHAD	
O=C(CSc1nnc(-c2cccc(Br)c2)o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514382895	BPPIYOXENJJVPA-UHFFFAOYSA-N	608.540	3.851	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)Nc1cccc(C(=O)NC2CC2)c1	514391564	LJJMLDMHSWJMNM-UHFFFAOYSA-N	514.648	3.591	0	20	KHAD	
COc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1S(=O)(=O)N1CCCCCC1	514394079	OHAWCVFACPMPQJ-ROUUACIJSA-N	522.693	3.578	0	20	KHAD	
O=C(CCc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1	514404337	CITDYHUXBOLSKN-HXUWFJFHSA-N	508.040	3.523	0	20	KHAD	
O=C(CSc1nccn1-c1ccc(Cl)cc1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O	10378912	DUEPNWQWJJCJNP-PDGQHHTCSA-N	500.005	3.866	0	20	KHAD	
CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1	147374437	UCIXIQRCAGGOJY-AJQTZOPKSA-N	578.713	3.929	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)CC2)cc1	514297359	VLXKVVRRFAWZQU-RUZDIDTESA-N	518.079	3.897	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCc3ccccc3C)n2[C@H](C)COC)c1	514298863	IQFQBKXTRRSKKV-OAQYLSRUSA-N	559.758	3.942	0	20	KHAD	
CC(C)OCc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1	514381599	KPKJNKIOULOHAF-UHFFFAOYSA-N	501.649	3.875	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(C(=O)c2ccoc2)CC1	514402059	LFRRYPADDLQTKM-UHFFFAOYSA-N	516.664	3.791	0	20	KHAD	
CC(C)[C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1	514403169	WIAFHCIVQSWWIY-WMZHIEFXSA-N	520.080	3.793	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3cc(Cl)ccn13)CC2)c1snnc1C1CC1	1817833779	BBGGSEGORDIJGW-LBPRGKRZSA-N	500.009	3.713	0	20	KHAD	
Cc1ccn2c(=O)c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3sccc3Cl)CC4)cnc2c1	1818515619	RCVIOJFGMIOWHN-GFCCVEGCSA-N	500.005	3.714	0	20	KHAD	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	514293790	YGIKXQALNWXQLN-UHFFFAOYSA-N	623.389	3.810	0	20	KHAD	
CC1CCN(c2nnc(SCC(=O)N3CCCc4cc(S(=O)(=O)N5CCCC5)ccc43)n2C[C@H]2CCCO2)CC1	514304433	UDULGUHMLBJFQH-HSZRJFAPSA-N	588.800	3.549	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc([C@H](C)N2CCCCC2)n1-c1ccccc1	514381531	ILOCLXOZWTUBCG-NRFANRHFSA-N	600.767	3.575	0	20	KHAD	
O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)CCC(=O)N2CCc3sccc3C2)CC1	514390742	UQORISBYKVLVCD-GDLZYMKVSA-N	530.694	3.615	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)c1c(O)nc(=O)n(CCCC)c1N	514404647	HKHUFMMUZTWVCE-VWLOTQADSA-N	557.692	3.919	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Sc2nnc3n(CCCOC)c(=O)c4ccccc4n23)c1	514290917	CXIDBBUYCROQKQ-QGZVFWFLSA-N	607.158	3.884	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1	514386205	HICJLALHAVHEHB-UHFFFAOYSA-N	582.770	3.560	0	20	KHAD	
CCOc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1S(=O)(=O)N1CCCCC1	514390009	VCLRDYWZZZRNPD-QFIPXVFZSA-N	501.605	3.630	0	20	KHAD	
O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1	514392736	AECZIRAAZSXRKN-UHFFFAOYSA-N	543.995	3.744	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514375301	NDXMAJRZNBAGJI-SJORKVTESA-N	520.652	3.574	0	20	KHAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)N3CCCCC3)CC2)cc1	514377095	LLKPTSFVLBAVGY-UHFFFAOYSA-N	527.643	3.529	0	20	KHAD	
COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)c2)cc1	514380909	YMKGFWJDBKITBW-XTEPFMGCSA-N	598.743	3.899	0	20	KHAD	
O=C(CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	514383035	FDMLXFRPSZXYMN-OAQYLSRUSA-N	538.139	3.961	0	20	KHAD	
CCOC(=O)c1c(CC(C)C)csc1NC(=O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1	514383525	GDLKMSIXLFYBFO-UHFFFAOYSA-N	514.692	3.935	0	20	KHAD	
COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)c1ccccc1	514388902	UZBAPJHGOHHLON-VGOFRKELSA-N	500.646	3.581	0	20	KHAD	
COc1cc(OC)cc([C@H](NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)c2nccn2C)c1	514395297	HLTLCDYGPUKTFI-UUOWRZLLSA-N	512.632	3.520	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1	514403115	IORAFFYLMPXLGE-UHFFFAOYSA-N	596.753	3.771	0	20	KHAD	
Cc1ncc(/C=C/C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(Cl)cc4nn[nH]c24)CC3)s1	1827122269	OJMUEEPUARNRJC-PYEVWLCESA-N	500.009	3.772	0	20	KHAD	
CN1CCN([C@H](CNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c2cccs2)CC1	514292290	JYFPSPZPPBECFA-HXUWFJFHSA-N	545.558	3.561	0	20	KHAD	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)CC2)c1C	514294302	ZWZVEEYZAZKUIG-UHFFFAOYSA-N	570.756	3.633	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)C[C@H](NS(=O)(=O)c2ccc(CNC(C)=O)cc2)c2ccc(OC)c(OC)c2)ccc1C	514380108	FILDTTJKGRWGQA-MHZLTWQESA-N	660.815	3.727	0	20	KHAD	
COC(=O)C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(OC)c(OC)c1	514390109	YGQRVUBACXVIKA-HXUWFJFHSA-N	510.616	3.734	0	20	KHAD	
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NC3(c4ccc5c(c4)OCCO5)CCCC3)CC2)c1	514390941	CPOFGZQICCPNED-UHFFFAOYSA-N	512.628	3.647	0	20	KHAD	
CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(CC)c2c(O)nc(=O)n(CCCC)c2N)c1	514296174	QEYGAOCMLQCHOK-UHFFFAOYSA-N	541.674	3.993	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)sc2c1CCS(=O)(=O)C2	514392928	HVOSBACCWUKIBM-UHFFFAOYSA-N	568.739	3.532	0	20	KHAD	
C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3)C(=O)N1CCC(C(N)=O)CC1	514395856	VTWASLSJWNWEAC-CQSZACIVSA-N	514.648	3.670	0	20	KHAD	
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1-c1cccc(C)c1	514404763	LXXCSIDDHLXLEL-HXUWFJFHSA-N	522.675	3.552	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N(CCC2=CCCCC2)c2c(O)nc(=O)n(Cc3ccccc3)c2N)c(O)nc1=O	514294756	AUFUYTNBWVKCPF-UHFFFAOYSA-N	676.819	3.917	0	20	KHAD	
COc1ccc(CN2CCN(CC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)CC2)c(OC)c1OC	514387137	IYXOAWSMFKOAGZ-VWLOTQADSA-N	513.635	3.936	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nnc([C@@H]3COc4ccccc4O3)o2)cc1S(=O)(=O)N(CC)CC	514385510	JZKBGTZWBZLDHK-FQEVSTJZSA-N	548.643	3.742	0	20	KHAD	
CCCCn1c(N)c(N(C(=O)CSc2nnc(NCc3ccccc3)s2)C2CCCC2)c(O)nc1=O	514385723	SGOWADBFLDSWKW-UHFFFAOYSA-N	529.692	3.863	0	20	KHAD	
O=C(CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1	514387928	NXZQSPWTUFVGOX-UHFFFAOYSA-N	534.608	3.521	0	20	KHAD	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)cc2)C1	514388355	XLNRSFYWFYOUBG-RTBURBONSA-N	527.643	3.573	0	20	KHAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)N3CCCN(Cc4ccc(F)cc4)CC3)nc(=O)c2c1C	514391663	MVNWFKLQZAZEIW-UHFFFAOYSA-N	546.690	3.967	0	20	KHAD	
COCCCn1c(SC[C@H](O)COc2ccccc2C(C)C)nc2cc(C(=O)OC)ccc2c1=O	514401016	IZURYVUMRQEGEF-LJQANCHMSA-N	500.617	3.875	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccc(OC)cc2)CC1	514292815	OLACAUKYJRLGER-UHFFFAOYSA-N	510.616	3.845	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(C(C)(C)C)cc3)CC2)c(C(=O)OC)c1C	514297096	RVWUROCGRHHALA-UHFFFAOYSA-N	564.726	3.987	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1	514374413	BQUPMJGMSAAYDW-GOSISDBHSA-N	535.717	3.947	0	20	KHAD	
C[C@@H](c1ccccc1)n1c(SCC(=O)N2CCC[C@@H](C)C2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	514375423	PUOYGBFNKIMQIJ-YADHBBJMSA-N	569.753	3.926	0	20	KHAD	
COc1ccc(NC(C)=O)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1	514389144	AGEOIEXLCCAHRH-UHFFFAOYSA-N	515.510	3.592	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514390103	YBVGXZCOKVTLTG-UHFFFAOYSA-N	590.587	3.531	0	20	KHAD	
O=C1CC(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cnc(Cl)s2)CC3)=Cc2ccccc2N1	1821188416	YSGXDPBFWKQSRG-CYBMUJFWSA-N	500.005	3.905	0	20	KHAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1	514297352	VEVFNZFQZXQAQV-QGZVFWFLSA-N	510.509	3.778	0	20	KHAD	
Cc1c(NC(=O)CSCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(=O)n(-c2ccccc2)n1C	514297583	VIHJODJKDJZVOY-UHFFFAOYSA-N	583.036	3.572	0	20	KHAD	
Cc1sc2nc(CS[C@@H](C)C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)nc(O)c2c1C	514377293	QFGWOOCLWJLBAZ-QFBILLFUSA-N	504.653	3.964	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)Nc2cc(C)ccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514402466	JOHUCRXJXLWJJG-GOSISDBHSA-N	502.662	3.813	0	20	KHAD	
Cc1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)nc5sccn45)sc3C2)c1Cl	1821156788	IPYMAIPWAKREML-GFCCVEGCSA-N	500.005	3.714	0	20	KHAD	
COc1ccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccccc1Cl	514296901	PRVNLWFEQBMFMQ-IRXDYDNUSA-N	520.007	3.653	0	20	KHAD	
C[C@@H](Sc1nnc(C[C@@H](C)c2ccccc2)o1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514376452	MINOUODUHZWFHB-QZTJIDSGSA-N	516.645	3.556	0	20	KHAD	
Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)no1	514377863	MASPFSFNJUSCMC-XNXCGYLDSA-N	520.677	3.785	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1	514386125	DWMKVUNWXLOZBO-UHFFFAOYSA-N	552.744	3.550	0	20	KHAD	
CCCCn1c(N)c(N(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)C2CCCC2)c(O)nc1=O	514386514	QVOODFPKYKUANT-UHFFFAOYSA-N	562.494	3.947	0	20	KHAD	
CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	514387177	KEDRCLPGQBSVSZ-SANMLTNESA-N	537.638	3.749	0	20	KHAD	
CC(C)(C)OC(=O)[C@]1(Cn2cccn2)C[C@H](C(=O)O)[C@@H](c2cncs2)N1C(=O)OCc1ccccc1	407987114	ZQKYAXPZIZMLGM-JVFUWBCBSA-N	512.588	3.905	0	20	KHAD	
COCCCn1c(SCc2nc(O)c3c4c(sc3n2)CCC4)nc2cc(C(=O)OC)ccc2c1=O	514292549	NOUGALJSVBAORT-UHFFFAOYSA-N	512.613	3.711	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)CC2)c(C(=O)OC)c1C	514384753	VBSGBEUORJAZKW-HXUWFJFHSA-N	569.101	3.951	0	20	KHAD	
COc1cc([C@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)N[C@H](C(C)C)C2=O)ccc1OC(F)F	514387625	LBSGEXOUXBFSRW-FOIQADDNSA-N	506.531	3.612	0	20	KHAD	
CCCn1c(CSc2n[nH]c(Cc3cccs3)n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514393806	KZBRJHWPKCFNJE-UHFFFAOYSA-N	518.690	3.530	0	20	KHAD	
COc1ccc(-c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)cs2)cc1OC	514387355	DTWSLSOGMNPLJV-UHFFFAOYSA-N	510.616	3.753	0	20	KHAD	
CCOCCCn1c(SC[C@@H](O)COc2ccc(C(=O)OC)cc2OC)nc2cc(Cl)ccc2c1=O	514401538	YMTAJDJMXZLWIX-SFHVURJKSA-N	537.034	3.804	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CSc2nnc3n2CCCCC3)c1	514403379	UILVODBCBRFVNC-UHFFFAOYSA-N	520.725	3.756	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1	514295489	BLHYKVSDKSGPCV-UHFFFAOYSA-N	557.500	3.571	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(Br)cc1C(C)=O	514374444	BVUJCJBAHGMRAA-UHFFFAOYSA-N	525.421	3.852	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CC(=O)Nc3ccc(Br)cc3C)CC2)c(C)c1	514376757	GGAXZGHRMIHDBY-UHFFFAOYSA-N	536.492	3.872	0	20	KHAD	
COc1ccc(-c2nc(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)cs2)cc1OC	514378883	JKEJVNCFZFTJDT-CALCHBBNSA-N	531.656	3.806	0	20	KHAD	
COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CCCCc3nc4ccccc4s3)CC2)c1	514383053	FNISTXGTFHHDLL-UHFFFAOYSA-N	503.646	3.559	0	20	KHAD	
CCCCn1c(SCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)nc2ccccc2c1=O	514385733	SMOWMSOHXBSQEQ-UHFFFAOYSA-N	521.687	3.688	0	20	KHAD	
C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	514387069	AUOVMWWMAPIRTN-WDEREUQCSA-N	500.574	3.568	0	20	KHAD	
Cn1ccnc1[C@@H](NC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1	514390973	XEEBYGHEAOKCEV-DEOSSOPVSA-N	533.050	3.589	0	20	KHAD	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1nnc(N2CCC(C)CC2)n1C[C@@H]1CCCO1	514394147	RCPGQQQEVTWZLZ-DEOSSOPVSA-N	537.734	3.964	0	20	KHAD	
COc1cccc(NCc2nnc(S[C@H](C)C(=O)N3CCC(C(N)=O)CC3)n2C2CCCCC2)c1	514395715	QUSJXVGNOXQVNH-QGZVFWFLSA-N	500.669	3.609	0	20	KHAD	
CCN1CCc2nc(NC(=O)C3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)sc2C1	514292129	LAWWAUZPIPNRTQ-UHFFFAOYSA-N	503.477	3.867	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O	514294906	CWSJDMAQMHGYLZ-QFIPXVFZSA-N	545.683	3.616	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccc(OC(F)(F)F)cc1	514296910	SGFIHTKUJNMRKQ-UHFFFAOYSA-N	528.427	3.800	0	20	KHAD	
CCCCN(C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1c(O)nc(=O)n(CC(C)C)c1N	514299534	HLOSJQQAWJQHRC-UHFFFAOYSA-N	528.660	3.520	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1)N1CCN(c2ccc(O)cc2)CC1	514377941	PSFYUZUIUOCZFP-UHFFFAOYSA-N	587.334	3.667	0	20	KHAD	
O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1	514390448	KGJGBCCQAYKJEL-QGZVFWFLSA-N	528.433	3.518	0	20	KHAD	
CCCN(C(=O)[C@H](C)Sc1nnc(-c2ccoc2C)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	514395078	BUHVTUJLVHFCNF-ICSRJNTNSA-N	502.662	3.801	0	20	KHAD	
COc1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C)cc1S(=O)(=O)N1CCCCC1	514292557	NTTPOEWHBHODAV-UHFFFAOYSA-N	566.105	3.962	0	20	KHAD	
CCc1cccc(CC)c1-n1c(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccnc1	514299352	DHVXQRCTNIVEAW-RPWUZVMVSA-N	569.753	3.741	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1S(=O)(=O)N1CCCCC1	514299684	NMMPRNYVXWEHFZ-UHFFFAOYSA-N	519.649	3.862	0	20	KHAD	
CCn1c(SCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)nnc1-c1ccccc1	514375780	VSBMLOJSNRQJKC-UHFFFAOYSA-N	512.661	3.648	0	20	KHAD	
CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)sc2c1CCSC2	514382374	LMSKJJMRHUIEBW-UHFFFAOYSA-N	512.650	3.893	0	20	KHAD	
COc1ccc(CN2CCN(C(=O)C3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)CC2)cc1F	514383607	HMZIVSZUVGGGFO-UHFFFAOYSA-N	544.476	3.886	0	20	KHAD	
Cc1sc2ncnc(N3CCC(C(=O)N4CCN(S(=O)(=O)c5ccc(Br)cc5)CC4)CC3)c2c1C	514404808	NINXEMQHUKVOGX-UHFFFAOYSA-N	578.558	3.820	0	20	KHAD	
O=C(Cc1ccc(O)cn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3c(Cl)cncc3s1)CC2	1827050598	GCOJVYAVVSWXEK-LBPRGKRZSA-N	500.005	3.975	0	20	KHAD	
Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(=O)nc4sccn24)CC3)c(Cl)c1	1827645715	QRFDJWYQOKEYSY-LBPRGKRZSA-N	500.005	3.714	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)CC3)CC2)cc1	514295427	JHHODADLOJHDMT-UHFFFAOYSA-N	594.077	3.601	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)ccc1Cl	514379501	VZQFGKBHVSDFCP-UHFFFAOYSA-N	556.106	3.613	0	20	KHAD	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1	514382860	AYDZZEDKKBCXSD-UHFFFAOYSA-N	516.645	3.786	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)c1	514294402	YUSGVESYMBUFGS-QGZVFWFLSA-N	564.709	3.799	0	20	KHAD	
CCOc1cc2c(cc1CNC(=O)CCc1nc3cc(S(=O)(=O)N(CC)CC)ccc3n1C)O[C@H](C)C2	514299124	AKGIOABMQNNQGQ-GOSISDBHSA-N	528.675	3.575	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)c1	514303904	QIBFTAPLTUUGDL-UHFFFAOYSA-N	544.699	3.977	0	20	KHAD	
Cc1cc(-c2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3csnn3)CC4)n[nH]2)ccc1Cl	1815841410	BQCBZCRGYKMUNI-LBPRGKRZSA-N	500.009	3.886	0	20	KHAD	
CCOC(=O)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)s1	514297388	VQNSQXRNZODDNQ-UHFFFAOYSA-N	573.040	3.905	0	20	KHAD	
O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	514301267	XQLKOCPZSORCOX-UHFFFAOYSA-N	561.424	3.612	0	20	KHAD	
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)N2CCOCC2)cc1	514376467	AMRPOAJZRFMMTL-HHHXNRCGSA-N	543.730	3.583	0	20	KHAD	
CCOc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)cc1S(=O)(=O)N1CCOCC1	514389087	YMMSRBDOBICSSX-UHFFFAOYSA-N	581.691	3.759	0	20	KHAD	
CCOCCCn1c(SCC(=O)N(CCC(N)=O)Cc2ccccc2)nc2ccc(Br)cc2c1=O	514404264	AJWBXVPKAQBRHA-UHFFFAOYSA-N	561.502	3.582	0	20	KHAD	
O=C(c1cnc2snnc2c1)N1CC[C@@]2(C1)CN(C(=O)c1cc3c(Cl)cccc3s1)CCO2	1780069006	JHGRNZKUKQMIDF-JOCHJYFZSA-N	500.005	3.712	0	20	KHAD	
COc1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)cc1S(=O)(=O)N1CCCCC1	514296409	PELNPGKGLYHMED-UHFFFAOYSA-N	523.677	3.507	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)n2CCC(N)=O)sc2c1CC[C@H](C)C2	514394262	LGICGDAOUCMXDG-ZDUSSCGKSA-N	517.633	3.507	0	20	KHAD	
CC(C)CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1cccc(C(F)(F)F)c1	514374797	HMMKABMTTQTVNM-UHFFFAOYSA-N	583.658	3.838	0	20	KHAD	
COc1ccc2c(CC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3NCC(C)C)coc2c1	514401805	FEUNHZWWPHTCEL-UHFFFAOYSA-N	501.605	3.711	0	20	KHAD	
COc1ccc(OC)c(NC(=S)/C(=C(/O)c2ccc(CNC(C)=O)s2)[n+]2cccc(CO)c2)c1	1318217570	WXIILJOZXKUDKP-UHFFFAOYSA-O	500.622	3.505	0	20	KHAD	
Cc1c(NC(=O)[C@@H](C)Sc2nnc(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)s2)c(=O)n(-c2ccccc2)n1C	514299090	DGVPYTMQNVUUEH-MUQADHOPSA-N	510.645	3.606	0	20	KHAD	
CSc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)n2)cc1	514300500	WYGUOYZRNHNTCD-UHFFFAOYSA-N	560.723	3.642	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1	514375334	NTYBCIUAFZRWPI-LJQANCHMSA-N	544.139	3.629	0	20	KHAD	
CCOc1ccc(OCCNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCO2)cc1	514385373	FWAMZLHOXGIKPX-HSZRJFAPSA-N	512.632	3.819	0	20	KHAD	
COc1cc(NS(=O)(=O)c2cc(C(=O)NCCCOC3CCCCC3)ccc2OC)cc(OC)c1	514401283	ROZOXQHJYMLLNM-UHFFFAOYSA-N	506.621	3.982	0	20	KHAD	
Cn1nccc1-c1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccnn2)CC3)sc1Cl	1816061039	LRAXOAWAPXIDRM-LLVKDONJSA-N	500.009	3.588	0	20	KHAD	
COc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2C[C@H]2CCCO2)cc1	514296329	HOCSARIZNDCCSR-IIBYNOLFSA-N	516.645	3.868	0	20	KHAD	
CCn1c(SCC(=O)c2ccc3c(c2)CCC(=O)N3)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514300977	UEHLICSRYVUHPS-UHFFFAOYSA-N	525.656	3.609	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CC[C@H](C)C4)CC1	514375276	OKUYUTLBOMPNEV-WMZOPIPTSA-N	533.716	3.656	0	20	KHAD	
CCCn1c(CCC(=O)N(C)Cc2cccc(Cl)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514377072	KTVCKZZPGHFCHQ-UHFFFAOYSA-N	519.067	3.712	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)Nc1nc(-c3ccc(S(C)(=O)=O)cc3)cs1)n2CC(C)C	514386969	BBNKOTIIWHEBMQ-UHFFFAOYSA-N	572.713	3.853	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C)cc1S(=O)(=O)N1CCCCC1	514391869	RWINCXWRGCCSRF-UHFFFAOYSA-N	521.690	3.848	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2OC)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514395311	HQALROBFOPVEFR-QGZVFWFLSA-N	545.687	3.886	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1	514300412	OEFHJRIQLSUKQJ-AWEZNQCLSA-N	515.585	3.708	0	20	KHAD	
CCCCCN(C(=O)CSc1nnc(Cc2ccccc2)n1CC)c1c(O)nc(=O)n(CCCC)c1N	514375133	LPZDTAFKRMEJOX-UHFFFAOYSA-N	527.695	3.849	0	20	KHAD	
COC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2CCCN(C(C)=O)C2)cc1	514388546	OYBGGKDVWGFJCD-NRFANRHFSA-N	543.642	3.637	0	20	KHAD	
CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1	514391791	QQEXOJKCTDOWAI-UHFFFAOYSA-N	580.608	3.624	0	20	KHAD	
Cn1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5c(Cl)cncc5s4)sc3C2)c1=O	1815841749	AXAYTWCAIBYBPM-NSHDSACASA-N	500.005	3.645	0	20	KHAD	
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1	514376449	AEXXZKYRBOIIID-UHFFFAOYSA-N	522.067	3.772	0	20	KHAD	
CCOc1ccccc1NC(=O)[C@@H](C)Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC	514388285	MYZAHVHGYYQHNT-QGZVFWFLSA-N	518.661	3.595	0	20	KHAD	
COCCn1c(S[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2scc(-c3ccccc3Cl)c2c1=O	514388953	WGMCPMIQOVAXBX-GJZGRUSLSA-N	556.131	3.551	0	20	KHAD	
Cn1nccc1-c1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ncccn2)CC3)sc1Cl	1816061312	UNESCYWBWWGKRT-NSHDSACASA-N	500.009	3.588	0	20	KHAD	
C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514375293	MZQRVTCAPYSYFW-FQEVSTJZSA-N	588.731	3.533	0	20	KHAD	
C[C@H](C(=O)N[C@H]1CN(C(=O)Cc2ccccc2)CC[C@H]2CC[C@@H](C(=O)NCc3ccc(Br)cc3)N2C1=O)N(C)C(=O)OC(C)(C)C	2332240285	ITJMCLSHQUDCLT-HJCWDVFASA-N	698.659	3.640	0	20	KHAD	
CC[C@H](C)n1c(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514291535	GCEVCGKEMKMIHY-FHWLQOOXSA-N	523.725	3.675	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)n2[C@H](C)COC)c1	514292392	KQHSBHDYZMNRIV-LJQANCHMSA-N	525.741	3.921	0	20	KHAD	
Cc1cccc(C)c1OCc1nnc(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1	514296993	QIZFYMNMXGKCIY-RPWUZVMVSA-N	570.737	3.750	0	20	KHAD	
CCOCCCn1c(S[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)nc2scc(-c3ccccc3Cl)c2c1=O	514388562	PGUSKRDSZCACAT-HOTGVXAUSA-N	570.158	3.989	0	20	KHAD	
Cc1cc(NC(=O)CSc2nnc(Nc3cccc(Cl)c3C)s2)n([C@@H]2CCS(=O)(=O)C2)n1	514392580	YYOPHUIAPNPZBD-CYBMUJFWSA-N	513.070	3.839	0	20	KHAD	
C[C@@H](Sc1nc(C2CC2)nc2c1c(O)nc(=O)n2C1CC1)C(=O)N(C)Cc1nc2ccccc2s1	514395324	ICVBUYUKLHAMSS-GFCCVEGCSA-N	508.629	3.853	0	20	KHAD	
CCCCCn1c(CCC(=O)N[C@H](c2cccc(F)c2)c2nccn2C)nc2c1c(O)nc(=O)n2CCCC	514405640	ZREFYVXOFCITDC-HSZRJFAPSA-N	537.640	4.000	0	20	KHAD	
CSc1ncccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(Cl)cc4nn[nH]c34)sc2C1	1821443604	WLRZZZZYQNTPRJ-NSHDSACASA-N	500.009	3.724	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	514380712	UMULWDGDCIUFEZ-UHFFFAOYSA-N	567.508	3.834	0	20	KHAD	
COCCCn1c(SCC(=O)N(Cc2ccccc2)CC(F)(F)F)nc2cc(C(=O)OC)ccc2c1=O	514384057	LKZMMZHGQGQROM-UHFFFAOYSA-N	537.560	3.903	0	20	KHAD	
COc1ccc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	514391086	ZOVCVUUKSYFTNN-QZTZHPFYSA-N	514.623	3.754	0	20	KHAD	
C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccc(F)cc2)C1	514291001	BUOXJKXCPGJTSD-OYRHEFFESA-N	587.743	3.750	0	20	KHAD	
O=C(COc1ccc(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1)Nc1cccc(C(F)(F)F)c1	514294989	FGGYGRJUPBZKBD-UHFFFAOYSA-N	532.519	3.707	0	20	KHAD	
CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)N(CC)CC	514378886	YSRDKMOEPBMBEN-UHFFFAOYSA-N	523.677	3.543	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	514404723	KEJYZSYNGKGVKJ-IAGOWNOFSA-N	500.621	3.898	0	20	KHAD	
Cc1cc(Cl)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(=O)nc4sccn24)CC3)c1	1827649665	ORVRUPIBVZZNCH-CQSZACIVSA-N	500.005	3.714	0	20	KHAD	
CC1CCN([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2cccs2)CC1	514294306	ZXJIWERHYPGRFE-JOCHJYFZSA-N	533.716	3.509	0	20	KHAD	
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1C)CC2	514377281	PXYQYFMBQINSER-SANMLTNESA-N	542.679	3.883	0	20	KHAD	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CS(=O)(=O)Cc3ccc(Cl)s3)cc2)C1	514381437	FJWQWGYNTMYUOY-HUUCEWRRSA-N	505.083	3.622	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCc1nc3ccccc3s1)n2CC	514382727	BQVGUSCZAPJKEJ-UHFFFAOYSA-N	513.689	3.988	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1	514384341	OOGURAPOBOLHLR-UXHICEINSA-N	550.703	3.633	0	20	KHAD	
C[C@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	514393444	BDGSOSOFKIGGBF-AWEZNQCLSA-N	513.089	3.626	0	20	KHAD	
CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)(c2ccccc2)CC1	514401135	NGDGBYOTGXYCOR-UHFFFAOYSA-N	507.660	3.994	0	20	KHAD	
O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1	18085143	GHDXEFBCFHEDFJ-MKPDMIMOSA-N	508.615	3.791	0	20	KHAD	
O=C(CN1C(=O)COc2ccccc21)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F	514378068	QJHMKNGKTCHBLD-UHFFFAOYSA-N	541.548	3.557	0	20	KHAD	
COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CSc3nnc(CN4CCCC4)n3-c3ccc(Cl)cc3)nc(=O)c12	514384790	XDVXCWFNVSQCML-UHFFFAOYSA-N	589.099	3.609	0	20	KHAD	
CSCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)c1nnc2ccccn12	514390056	WNJYVBHAPRBHDV-LVCYWYKZSA-N	501.678	3.620	0	20	KHAD	
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514394917	WHUBQVMNRMQXEX-UHFFFAOYSA-N	596.049	3.848	0	20	KHAD	
CCCCn1c(SCC(=O)N(C)Cc2ccc(OC)c(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514404926	OBMGEXCPXWUXOQ-UHFFFAOYSA-N	534.704	3.855	0	20	KHAD	
Cc1cc(-c2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cnsn3)CC4)n[nH]2)ccc1Cl	1815841616	IQCSFODPJMQVRD-LBPRGKRZSA-N	500.009	3.886	0	20	KHAD	
CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCCOCCOCCOCCN	2048515485	AJKZUNMMAZHRFP-SBPNQFBHSA-N	705.849	3.580	0	20	KHAD	
COC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	514295843	LINRJEUGUKPYNJ-IBGZPJMESA-N	588.318	3.513	0	20	KHAD	
COc1ccc(C(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)cc1S(=O)(=O)N1CCCc2ccccc21	514379043	MFJUJDHASNNALM-UHFFFAOYSA-N	583.711	3.640	0	20	KHAD	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c2)C1	514400860	CNYHUZKXLRUPNW-RTBURBONSA-N	527.643	3.573	0	20	KHAD	
CCCCn1c(CCC(=O)NCc2ccc(C(=O)OC)cc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514295943	GZAIMFNQKUNOEE-UHFFFAOYSA-N	526.659	3.657	0	20	KHAD	
CCCn1c(S[C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)nc2cc(S(N)(=O)=O)ccc21	514298173	WEHAWMLPFMGMJR-LBPRGKRZSA-N	535.673	3.730	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ccc(C(N)=O)cc3)n2[C@@H](C)COC)c1	514390069	WXHXZPKEQSSEEY-KRWDZBQOSA-N	517.677	3.574	0	20	KHAD	
CCOc1ccc(OC[C@@H](O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2CCCOC)cc1	514392257	WDDAOBDMNJUOGW-LJQANCHMSA-N	503.621	3.930	0	20	KHAD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC	514293198	SEUKDXFQUKLYEU-UHFFFAOYSA-N	557.717	3.905	0	20	KHAD	
CCCCn1c(SCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293821	YPYKXGWVDBYFFT-UHFFFAOYSA-N	651.833	3.837	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1	514379707	XENOXWBSUUFYSI-UHFFFAOYSA-N	535.688	3.687	0	20	KHAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nc3ccccc3c(=O)n2CCCCCC(=O)OC)CC1	514393191	QNUIDQKQUZQJRW-UHFFFAOYSA-N	593.750	3.567	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514405699	YKAYHMXVPYMXNP-SFHVURJKSA-N	502.662	3.813	0	20	KHAD	
COc1ccccc1-c1nnc(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1-c1ccc(Cl)cc1	514298908	AXZPCSQVOIPMFG-RTWAWAEBSA-N	577.128	3.883	0	20	KHAD	
C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1)C(=O)NC1CCCC1	514374896	HKIHWHIPWJFZGQ-LJQANCHMSA-N	573.716	3.693	0	20	KHAD	
CCCn1c(CSc2nc3ccccc3c(=O)n2CCCOC)nc2cc(S(=O)(=O)N(C)C)ccc21	514384987	WGLXIYZESZQUAE-UHFFFAOYSA-N	529.688	3.735	0	20	KHAD	
C[C@H]1Cc2cc(/C(O)=C(/C(=S)NCCc3cccs3)[n+]3ccccc3)ccc2N1S(C)(=O)=O	727813809	NIKBHEZPFXCXPF-KRWDZBQOSA-O	500.691	3.790	0	20	KHAD	
CC[C@H](C)n1c(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514291537	GCEVCGKEMKMIHY-IPMKNSEASA-N	523.725	3.675	0	20	KHAD	
CCCCN(C(=O)CSc1nnc2n(-c3ccc(C)cc3C)c(=O)c3ccccc3n12)[C@H]1CCS(=O)(=O)C1	514292393	KQQKUTIYONYZSC-FQEVSTJZSA-N	553.710	3.558	0	20	KHAD	
Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c2ccccc2)cc1	514294000	UXFXLGLIGYWBLA-UHFFFAOYSA-N	564.708	3.892	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(NC2CCCCC2)s1	514379270	RSQUWRXNBDADQG-UHFFFAOYSA-N	555.748	3.822	0	20	KHAD	
COc1ccc([C@@H](NC(=O)CN2CCN(CC(=O)N[C@@H](c3ccc(OC)cc3)C(C)C)CC2)C(C)C)cc1	514391118	GGOVMZRYDXOIQJ-RNPORBBMSA-N	524.706	3.648	0	20	KHAD	
O=C(c1ccccc1)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1	514393549	DZDFNUSWICGOPP-HXUWFJFHSA-N	519.461	3.971	0	20	KHAD	
C[C@H](Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	514395454	LADVHKJMXAUHAK-WMZHIEFXSA-N	529.663	3.601	0	20	KHAD	
COCCCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)c1c(O)nc(=O)n(CC(C)C)c1N	514381490	GZYZREYOJSCSQQ-UHFFFAOYSA-N	533.633	3.863	0	20	KHAD	
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1	514402990	VBRNNQRCDQKPII-GOEBONIOSA-N	549.534	3.534	0	20	KHAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)cc2)C[C@@H](C)O1	514292625	OEMLUELBGPSYQB-QWFCFKBJSA-N	577.754	3.714	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1	514294869	CPQATTXZWQRJSA-OAQYLSRUSA-N	535.732	3.612	0	20	KHAD	
CCOc1ccc([C@H](CNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c2c[nH]c3ccccc23)cc1OC	514389207	CBJOSGMLHOXNHJ-VSKRKVRLSA-N	503.599	3.999	0	20	KHAD	
CCOCCCn1c(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)nc2ccc(Br)cc2c1=O	514402772	NCKNLIUOENAUSZ-IBGZPJMESA-N	586.574	3.636	0	20	KHAD	
CCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1	514295297	BWFMIFKXGPWTDF-UHFFFAOYSA-N	501.649	3.707	0	20	KHAD	
CC(=O)N[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccc(Br)cc1	514300656	QPWHBLBAMNBEJM-NRFANRHFSA-N	555.395	3.818	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1c(O)nc(=O)n(CC(C)C)c1N	514375425	PAMSEYCRGWZKMM-UHFFFAOYSA-N	529.642	3.845	0	20	KHAD	
COc1ccc([C@H](CNC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)N2CCCC2)cc1	514377510	YRMNUFQFKMPJHV-MHZLTWQESA-N	553.729	3.642	0	20	KHAD	
CCc1cccc[n+]1/C(C(=S)NCC(F)(F)F)=C(/O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O	725760769	SZSRJUHDRYWDET-AWEZNQCLSA-O	500.588	3.610	0	20	KHAD	
CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2	514291025	CFTCPYPWICGZLF-HSZRJFAPSA-N	613.762	3.626	0	20	KHAD	
CCCn1c(CSCC(=O)N[C@H](C)c2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514388479	YYRDJVJNKPIXLY-GOSISDBHSA-N	534.679	3.717	0	20	KHAD	
O=C(COc1ccc(Cl)cc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1	514401857	HCZBGIVCSVSCJN-KRWDZBQOSA-N	544.457	3.623	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nnsc1C1CC1)CC2)c1c[nH]c2nccc-2c1Cl	1816880006	HXHSIMHFSZWKDT-JTQLQIEISA-N	500.009	3.893	0	20	KHAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1	514384453	QMMMGQYYSGVJPN-UHFFFAOYSA-N	564.730	3.621	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)CC1	514293253	SVXPFNRQYVWCBU-GOSISDBHSA-N	503.644	3.675	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1CCN1CCOCC1)N(C)C	514293881	UMUDCUYEEYVYES-JXFKEZNVSA-N	529.538	3.899	0	20	KHAD	
O=C(CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	514293907	XGKMMZCHRGHGBB-VQTJNVASSA-N	579.810	3.956	0	20	KHAD	
CCOc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc(OCC)c1OCC	514376122	CIWYSXMYBHPWKH-UHFFFAOYSA-N	547.674	3.756	0	20	KHAD	
COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)c2)cc1	514380906	YMKGFWJDBKITBW-IAPPQJPRSA-N	598.743	3.899	0	20	KHAD	
COc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1S(=O)(=O)NC1CCCC1	514388309	NSZVKYBFXVTBEW-UHFFFAOYSA-N	506.068	3.964	0	20	KHAD	
CCCCn1c(CCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514393576	GIJWITOLJLNKAU-NDEPHWFRSA-N	582.702	3.568	0	20	KHAD	
O=C(NCc1ccccc1OC(F)F)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514404101	YWBCYHFTIRQIRU-UHFFFAOYSA-N	509.394	3.829	0	20	KHAD	
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@@H](O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	1857787820	SSYBHRGSXXKZQZ-WRAKSMGQSA-N	655.708	3.772	0	20	KHAD	
Cc1ccc(-c2csc3nc(S[C@H](C(=O)NC(N)=O)C(C)C)n(C[C@@H]4CCCO4)c(=O)c23)cc1	514292105	KUWUIDCBSFKWFY-LPHOPBHVSA-N	500.646	3.924	0	20	KHAD	
CCCCN(C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1c(O)nc(=O)n(CC(C)C)c1N	514292936	QAAKXSBBARYFIY-UHFFFAOYSA-N	518.618	3.949	0	20	KHAD	
COCCCn1c(O)nnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1	514293134	SHVBZDAPVKSEPB-QGZVFWFLSA-N	517.633	3.569	0	20	KHAD	
Cc1cccc(C)c1OCc1nnc(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1-c1ccccc1	514296982	QIZFYMNMXGKCIY-BJKOFHAPSA-N	570.737	3.750	0	20	KHAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O	514298001	YXVWTMHSUZXTKD-UHFFFAOYSA-N	541.649	3.618	0	20	KHAD	
CC(C)[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1	514303026	JDTOAYBVKVYRIL-SIKLNZKXSA-N	519.092	3.932	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2CCC)c(O)nc1=O	514378423	FKDUCOQYJPYDOB-UHFFFAOYSA-N	627.768	3.880	0	20	KHAD	
Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1	514383242	FLDMBMZVUZBDQB-JOCHJYFZSA-N	505.644	3.892	0	20	KHAD	
CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CN2CCOCC2)cc1	514385116	ZCAOUPVJHIIBNY-NRFANRHFSA-N	532.515	3.864	0	20	KHAD	
CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1CCCOC)c1ccccc1	514385611	NZXVNCVYEBTOFK-UHFFFAOYSA-N	528.631	3.687	0	20	KHAD	
COCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1	514405104	OYYJGMAMKAEWFL-MRXNPFEDSA-N	559.497	3.647	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1Cc1ccco1)c1c(O)nc(=O)n(CCC)c1N	514291570	HQQLMTZDWSOYCL-UHFFFAOYSA-N	567.672	3.775	0	20	KHAD	
COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1	514292776	MSGORAUKNAJPBN-XHOYROJHSA-N	545.727	3.897	0	20	KHAD	
CCCCn1c(S[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376410	LDJRRFOACBLLON-INIZCTEOSA-N	613.684	3.510	0	20	KHAD	
C[C@H]1CCCN(c2nnc(S[C@@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)n2Cc2ccco2)C1	514394529	YDHZWVUJGPZZGM-GJZGRUSLSA-N	536.580	3.809	0	20	KHAD	
COc1ccc([C@@H]2CCCN2CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c(OC)c1	514400799	AOQRUZBGKMXBEC-QHCPKHFHSA-N	534.579	3.642	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(COCC(F)(F)F)cc3)CC2)cc1	514405240	STCSKSLARYIAQL-UHFFFAOYSA-N	512.550	3.685	0	20	KHAD	
Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(O)OC[C@H]5CN(c6ccc(-c7ccc(-c8nnn(C)n8)nc7)c(F)c6)C(=O)O5)OC4=O)cc3F)cn2)n1	200803015	UGUGELYBSIMIPH-DNQXCXABSA-N	802.652	3.954	0	20	KHAD	
COC(=O)c1sc2[nH]c(CSc3nnc(CN4CCCCC4)n3-c3ccccc3)nc(=O)c2c1C	514292591	NWDIOTYWZGJRGA-UHFFFAOYSA-N	510.645	3.939	0	20	KHAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)c(O)nc1=O	514295695	JQBMUTFEVYXOAU-HSZRJFAPSA-N	589.784	3.964	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(C)cc2Cl)c(C(=O)OC)c1C	514297439	UDCJXWIRBVKLQT-OAHLLOKOSA-N	549.092	3.630	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1	514378765	JCOXYZSDWCDFHB-UHFFFAOYSA-N	515.053	3.716	0	20	KHAD	
Nc1c(N(CCC2=CCCCC2)C(=O)Cc2csc(N3CCCC3=O)n2)c(O)nc(=O)n1Cc1ccccc1	514385168	AWCIRBNHYGHLOK-UHFFFAOYSA-N	548.669	3.629	0	20	KHAD	
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1	514394030	GGWPDVBNDNQVOV-UHFFFAOYSA-N	537.638	3.789	0	20	KHAD	
CCCCCn1c(=O)c2ccccc2n2c(SC[C@H](O)COCc3ccc(OC)c(OC)c3)nnc12	514401205	PGZRXJSVTLHEMX-LJQANCHMSA-N	512.632	3.921	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)nnc12	514292578	NUPVSDBARFWHHD-HXUWFJFHSA-N	598.751	3.765	0	20	KHAD	
Cc1cccc(OC[C@@H](O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C2CCCC2)c1	514293745	WOZPSDGCWNZGMW-HSZRJFAPSA-N	558.726	3.922	0	20	KHAD	
CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc3ccc(S(=O)(=O)N(CC)CC)cn23)cc1	514303436	NCARGPCQCXXCQE-MRXNPFEDSA-N	503.650	3.862	0	20	KHAD	
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)N2CCOCC2)cc1OC	514395583	OBSFVELLFMRKNV-QFIPXVFZSA-N	586.538	3.601	0	20	KHAD	
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)CSc3ncnc4ccccc34)CC2)cc1	514404448	CWTXLOKLMCKFHF-UHFFFAOYSA-N	541.699	3.628	0	20	KHAD	
C[C@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@@]2(C)CO)[C@H](O)[C@@H](O)[C@H]1O	2048466596	WSSVJIGMYVWUJL-LNGGOQTLSA-N	618.852	3.953	0	20	KHAD	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNS(=O)(=O)c1cccc(Cl)c1	16152988	XSZFCHCNXDAGRL-UHFFFAOYSA-N	500.005	3.690	0	20	KHAD	
CCCCCN(C(=O)CSc1nnc2sc3ccccc3n12)c1c(O)nc(=O)n(CCCC)c1N	514293885	XBGZNHWYYMYFBG-UHFFFAOYSA-N	515.665	3.904	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)c1	514294097	YRGQQVSRCDLLTM-UHFFFAOYSA-N	518.661	3.784	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(Br)cc2F)c(C(=O)OC)c1C	514296454	LXVSWTKVUPURIY-CQSZACIVSA-N	597.506	3.570	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CCc2cc(OC)c(OC)c(OC)c2)c(O)nc1=O	514379353	SSHLHLXXEARCPN-UHFFFAOYSA-N	540.617	3.532	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)NCc2ccc(F)cc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514388264	MQSVIRCOBFDWSL-QGZVFWFLSA-N	517.652	3.686	0	20	KHAD	
CCCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1	514395830	VAKPHGLXIYHFSP-FUHWJXTLSA-N	551.637	3.893	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1csc(-c2cccs2)n1	514401957	CYEAXGZTXYPWOA-UHFFFAOYSA-N	507.659	3.861	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3snnc3C3CC3)sc2C1)c1cn2ccc(Cl)cc2n1	1817835318	NNMUTUJTSUMZQB-GFCCVEGCSA-N	500.009	3.713	0	20	KHAD	
C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccc(F)cc2)C1	514291004	BUOXJKXCPGJTSD-SFTDATJTSA-N	587.743	3.750	0	20	KHAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3)CC2)cc1	514297518	XNPCASUVCOILJK-XMMPIXPASA-N	500.617	3.636	0	20	KHAD	
COc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1OC	514300230	MCKGWKZXUXQSBH-UHFFFAOYSA-N	501.527	3.630	0	20	KHAD	
COc1ccc(-c2nnc(S[C@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)n2C[C@H]2CCCO2)cc1	514374383	BEHVPLJBORAKSK-RHSMWYFYSA-N	549.575	3.786	0	20	KHAD	
CCn1c(SCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)nnc1-c1cccs1	514382885	XJVLSEOYLIRRIA-UHFFFAOYSA-N	538.621	3.920	0	20	KHAD	
O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1	514390447	KGJGBCCQAYKJEL-KRWDZBQOSA-N	528.433	3.518	0	20	KHAD	
CC(C)[C@H](Sc1nc2ccccc2c(=O)n1CCC1=CCCCC1)C(=O)N[C@@H]1CCS(=O)(=O)C1	514403413	UXVZEZZYPZKIRM-KNQAVFIVSA-N	503.690	3.707	0	20	KHAD	
CCCCCn1c(SCC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nc2sc3c(c2c1=O)CCC3	514290781	BIVNJXKOGIFVAX-UHFFFAOYSA-N	624.789	3.801	0	20	KHAD	
O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)N1CCC(c2nc3ccccc3s2)CC1	514386070	BSVCSFAOCRNUJL-UHFFFAOYSA-N	502.687	3.974	0	20	KHAD	
CCOc1ccccc1-c1nnc(SCC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)o1	514389532	IVOUTQIZDHJWAX-UHFFFAOYSA-N	528.656	3.991	0	20	KHAD	
COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Sc2nnc(N3CCOCC3)n2-c2cccc(C)c2)c1	514405725	YRUVRUADHTXBMZ-MOPGFXCFSA-N	511.648	3.788	0	20	KHAD	
Nc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(-c5ccc(Cl)cc5)[nH]n4)sc3C2)cs1	1821554988	LJNVTWBHHCVUIJ-LBPRGKRZSA-N	500.009	3.765	0	20	KHAD	
COCCCN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514374692	FUKQNTVKGFOOTA-UHFFFAOYSA-N	591.738	3.834	0	20	KHAD	
COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)C)cc1	514375665	UUZCTPSJTJDEIO-KRWDZBQOSA-N	517.677	3.979	0	20	KHAD	
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514377926	PAUUKSQTFFEFDW-AWEZNQCLSA-N	567.380	3.817	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)N[C@@H](c1ccccc1)c1ccccn1)c1c(O)nc(=O)n(CCCC)c1N	514379284	ORCWOTCOFDVLJT-VWLOTQADSA-N	534.661	3.935	0	20	KHAD	
CCn1c(CCC(=O)N[C@H](C)c2ccc(Br)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514405162	RKWXOXSEDFSOFV-OAHLLOKOSA-N	507.454	3.879	0	20	KHAD	
CCCCN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1	514303771	YZVSPQRKSUIUPV-LJQANCHMSA-N	544.139	3.773	0	20	KHAD	
Cc1cccc(-n2c(S[C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nc3cc(Cl)ccc3c2=O)c1C	514387695	ITAAYDOJGWPEQP-SJLPKXTDSA-N	520.076	3.782	0	20	KHAD	
COc1cccc(NCc2nnc(SCC(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)n2C2CCCCC2)c1	514391712	PLGWVCFDPVSLTN-OAQYLSRUSA-N	573.745	3.999	0	20	KHAD	
O=C(Nc1ccc(-n2cncn2)c(Cl)c1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1	749138880	ISDVPUJSAPJPAH-UHFFFAOYSA-N	500.005	3.982	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3nnsc3C3CC3)sc2C1)c1cn2c(Cl)cccc2n1	1817706490	KOTRTSXHGBRDQS-LLVKDONJSA-N	500.009	3.713	0	20	KHAD	
COc1ccc(-c2nnc(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)n2-c2ccc(OC)cc2)cc1	514292273	LDFYHCBOCLSSCJ-NRFANRHFSA-N	544.699	3.715	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCc3ccccc3OC)n2[C@H](C)COC)c1	514293892	UPCCLXVRMNVNTK-LJQANCHMSA-N	561.730	3.600	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)sc(C(=O)NC)c1C	514301389	ZEBZZBKFCMUURO-UHFFFAOYSA-N	519.674	3.902	0	20	KHAD	
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc2)cc1	514304379	SJPPKYNJDCXHLR-SANMLTNESA-N	554.669	3.785	0	20	KHAD	
CCN(CC(=O)Nc1ccccc1OC)C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1	514380539	PBLNXRNRYOYTDC-UHFFFAOYSA-N	501.649	3.680	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NCCc2ccc(-c3csc(C)n3)s2)c(O)nc1=O	514390399	IVJADBFWVRHALO-UHFFFAOYSA-N	560.746	3.953	0	20	KHAD	
COC(=O)c1ccc(OC[C@@H](O)CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)c(OC)c1	514392537	XOTFGGWOXQRAPA-OAQYLSRUSA-N	530.622	3.720	0	20	KHAD	
CCCn1c(SCC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)nc2cc(S(N)(=O)=O)ccc21	514395233	GCFAKLNJCCXFFI-IBGZPJMESA-N	518.661	3.567	0	20	KHAD	
CCCN(C(=O)[C@@H](C)Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1	514395900	WQXIMYZOGBOJBG-NVXWUHKLSA-N	500.086	3.612	0	20	KHAD	
CN(C)[C@H](CNC(=O)CSc1nnc(SCC(=O)NC[C@@H](c2ccccc2)N(C)C)s1)c1ccccc1	514404312	BMOGLNFPWCNWSU-SZPZYZBQSA-N	558.799	3.561	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2[C@H](C)COC)c1	514404317	BQFLBIFQQHBTMH-OAQYLSRUSA-N	652.865	3.944	0	20	KHAD	
COc1cccc(NCc2nnc(S[C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2C2CCCCC2)c1	514405816	ZYPIOCBCJZOTBR-FXAWDEMLSA-N	521.709	3.530	0	20	KHAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)CC1	514300278	NEXMVMMMXPLQCQ-HSZRJFAPSA-N	517.095	3.537	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)n1CCN1CCOCC1)N(C)C	514375005	JQMNJRRAWJXZAA-JOCHJYFZSA-N	502.729	3.542	0	20	KHAD	
CCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1S(=O)(=O)N(CC)CC	514390690	SVCWJQSKJJOPOL-IBGZPJMESA-N	505.612	3.746	0	20	KHAD	
CCCCn1c(SCC(=O)NCc2ccccc2CN2CCOCC2)nnc1-c1ccc(OC)cc1	514391796	QQJDWDFZNNTAAB-UHFFFAOYSA-N	509.676	3.995	0	20	KHAD	
COc1cc(CN(C)CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)ccc1OC(F)F	514400800	AOWFDULRCPNCFS-UHFFFAOYSA-N	544.521	3.530	0	20	KHAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(Br)c1	514402995	VGFJXPHZNLNQBN-MRXNPFEDSA-N	511.442	3.512	0	20	KHAD	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1	514292227	IRQAQOQWIQMFJN-QFIPXVFZSA-N	500.599	3.505	0	20	KHAD	
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2OC)cc1Cl	514295242	AQGATUDPKDWLSU-UHFFFAOYSA-N	501.001	3.712	0	20	KHAD	
Cc1ccc(Cl)cc1NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514296340	JTWNIBVHGKJQLO-UHFFFAOYSA-N	507.056	3.710	0	20	KHAD	
CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nc4ccccc4c(=O)n3CCCOC(C)C)ccc21	514298974	BWLJSEMHWSEMID-UHFFFAOYSA-N	529.684	3.899	0	20	KHAD	
C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2	514375081	KLCLRUCSAOMWIU-GBXCKJPGSA-N	613.762	3.530	0	20	KHAD	
CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CC[C@@H](C)C3)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514375598	SPNUSOWBIVLOHT-QUCCMNQESA-N	636.800	3.800	0	20	KHAD	
CCCOc1ccc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@@H]2CCCO2)cc1OC	514381745	QIAPADMWXQQVRK-FQEVSTJZSA-N	515.632	3.701	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)n2C)cc1	514384605	RDJIUNZOSLYZRJ-QGZVFWFLSA-N	516.693	3.698	0	20	KHAD	
C[C@H](Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	514394528	YDHZWVUJGPZZGM-CABCVRRESA-N	536.580	3.809	0	20	KHAD	
CCn1c(=O)c2ccccc2n2c(CN3CCN(S(=O)(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)nnc12	514401516	XYXLDBUVKNCQCU-UHFFFAOYSA-N	588.534	3.608	0	20	KHAD	
CCn1c(CCC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514403029	PFWRPBRMVIHDCS-NRFANRHFSA-N	514.648	3.620	0	20	KHAD	
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O	514291104	BUXWUTVGXPHNNT-QGZVFWFLSA-N	503.477	3.569	0	20	KHAD	
COc1ccccc1-n1c(S[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nnc1N1CCCCC1	514384496	SYDJYNYIFBZUBV-OAHLLOKOSA-N	548.591	3.919	0	20	KHAD	
CCCCCn1c(CCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)nc2c1c(O)nc(=O)n2CCCC	514387410	FUSPXSHYRDQZFZ-INIZCTEOSA-N	510.595	3.580	0	20	KHAD	
COc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C	514403881	SDKZTKFTECLTFZ-SIKLNZKXSA-N	596.672	3.968	0	20	KHAD	
Nc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(-c5ccccc5Cl)[nH]n4)sc3C2)s1	1821578559	FAIHCQJCGYFQEC-JTQLQIEISA-N	500.009	3.765	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1	514300413	OEFHJRIQLSUKQJ-CQSZACIVSA-N	515.585	3.708	0	20	KHAD	
CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)nc2c1	514303984	RRINGQFXXHYLKJ-UHFFFAOYSA-N	564.011	3.586	0	20	KHAD	
C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C(=O)NCCc1ccc(F)cc1	514375663	UTRRJAASFCYSCY-KRWDZBQOSA-N	518.636	3.890	0	20	KHAD	
CC[C@H](C)n1c(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514375697	UGJOTDKZNMKJKP-IBGZPJMESA-N	608.812	3.928	0	20	KHAD	
CCOc1cc(-c2nnc(SCC(=O)Nc3ccc(C)c(S(=O)(=O)NC)c3)o2)cc(OCC)c1OCC	514385235	DSOYQGLIOUWODE-UHFFFAOYSA-N	550.659	3.880	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N[C@H](c3ccc4c(c3)OCCO4)C(C)C)c12	514383547	KYJSDAVJMFPNOU-DFBJGRDBSA-N	524.643	3.875	0	20	KHAD	
CCN(CC)Cc1ccccc1CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C	514390193	AXXAKFVBXCULAL-UHFFFAOYSA-N	525.719	3.839	0	20	KHAD	
c1cc2ccc1OCCOCCCOCCOCCOc1ccc(cc1)OCCOCCCOCCOCCO2	642813675	FJQOXSPNSGSLGT-UHFFFAOYSA-N	564.672	3.795	0	20	KHAD	
Cc1ncsc1-c1ccc(CN2C[C@H](O)C[C@H]2C(=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1	642813776	XECMGMMAHMXNPG-RZUBCFFCSA-N	530.691	3.636	0	20	KHAD	
CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO[C@]4(c5ccc(Cl)c(Cc6ccc(OCC)cc6)c5)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1	2048532154	JCJKULUVIFDVLR-VPSBAXNUSA-N	815.740	3.838	0	20	KHAD	
CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)[C@H]1c1ccc(OC)cc1	514301310	ZTQNFCCTUPGHDE-ATIYNZHBSA-N	547.649	3.574	0	20	KHAD	
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514301379	YWKAPXWXNMQMHY-QGZVFWFLSA-N	521.565	3.906	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@@H](O)COC(C)C)n2-c2ccccc2)c1	514301626	BBBFCQMUXGUDKE-NRFANRHFSA-N	504.678	3.843	0	20	KHAD	
CCCCCN(C(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)c1c(O)nc(=O)n(CCCC)c1N	514376027	ZQHHFSARAVODRC-GOSISDBHSA-N	574.727	3.989	0	20	KHAD	
COc1ccc(OC)c(S(=O)(=O)N2CCN([C@H](C)c3nc(O)c4c5c(sc4n3)C[C@@H](C)CC5)CC2)c1	514401552	YUHDRRIARVHWCN-JKSUJKDBSA-N	532.688	3.606	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccccc2N2CCCCC2)c(C(=O)OC)c1C	514297379	SPJFAOBABQNNSO-GOSISDBHSA-N	583.754	3.659	0	20	KHAD	
CCCn1c(CCC(=O)N[C@@H]2CCSc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514300662	QULKEPJJOSAZGS-OAQYLSRUSA-N	528.700	3.753	0	20	KHAD	
COc1cc2nc(S[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)C(C)C)n(CCC3=CCCCC3)c(=O)c2cc1OC	514302233	NFKHJGJERQFFTK-CYFREDJKSA-N	563.742	3.724	0	20	KHAD	
O=C(CCN1CCC(C(=O)N2CCOCC2)CC1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)c(Cl)c1	514380319	HXXQAAWSPIAASX-UHFFFAOYSA-N	569.511	3.694	0	20	KHAD	
Cn1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4nc(-c5ccccc5)ns4)sc3C2)c1Cl	1815839136	GLALMRSUSCUGNY-GFCCVEGCSA-N	500.009	3.588	0	20	KHAD	
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1nnc([C@@H](CC)N(C)C)n1CCN1CCOCC1	514375725	UPQYMQXZRLPINE-LJQANCHMSA-N	576.745	3.852	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	514376720	QARROWQAQBPQKR-RDGATRHJSA-N	517.648	3.838	0	20	KHAD	
O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514380233	JZMAQMPSPKFCNQ-UHFFFAOYSA-N	564.712	3.935	0	20	KHAD	
CCOC(=O)c1sc2nc(C)nc(Sc3nnc4ccc(S(=O)(=O)N(CC)CC)cn34)c2c1C	514382551	PHOZLEZYROJMSM-UHFFFAOYSA-N	520.662	3.709	0	20	KHAD	
Cc1cc(Cl)ccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)nc4sccn34)sc2C1	1821151831	UHOZMDCKQNDSMQ-ZDUSSCGKSA-N	500.005	3.714	0	20	KHAD	
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O	514295954	HGTRFNJDNJAQPW-KDURUIRLSA-N	520.007	3.653	0	20	KHAD	
COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2C[C@@H]2CCCO2)cc1	514296331	HOCSARIZNDCCSR-KKSFZXQISA-N	516.645	3.868	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC[C@H](c3cccs3)N3CCOCC3)cc2)cc1	514297969	YIZLEMFXCUQUQM-RUZDIDTESA-N	559.710	3.540	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)CN(CC(=O)Nc2c(C)cccc2C)CC(=O)Nc2c(C)cccc2C)CC1	514380075	DTMIMRKQSWYMFG-UHFFFAOYSA-N	536.673	3.601	0	20	KHAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1	514384073	KQZQETRSBJMQRX-UHFFFAOYSA-N	551.507	3.709	0	20	KHAD	
COCCCn1c(SCC(=O)Nc2ccc(CN3CCOCC3)cc2)nnc1-c1ccc(OC)c(OC)c1	514385548	LWBCSDZKHJYLMG-UHFFFAOYSA-N	541.674	3.562	0	20	KHAD	
CNS(=O)(=O)c1cc(NC(=O)CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)ccc1C	514386590	ULLLFSKRRBPOAX-LJQANCHMSA-N	528.704	3.762	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCc1nc(-c2cccc(C(F)(F)F)c2)no1	514393629	HODNEIZNSDTTBY-UHFFFAOYSA-N	512.510	3.787	0	20	KHAD	
COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3S(C)(=O)=O)n2C[C@H]2CCCO2)cc1	514396005	ZBOMSSDHLMZUBL-VQIMIIECSA-N	516.645	3.656	0	20	KHAD	
COC(=O)CCCCCn1c(SCC(=O)NCc2ccc(OC)c(OC)c2)nc2ccccc2c1=O	514403016	ORXVVJYRSMAEEX-UHFFFAOYSA-N	513.616	3.556	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)COc2ccc(OCCC)cc2)c(O)nc1=O	514403197	KBUDRLAAENGXCK-UHFFFAOYSA-N	510.591	3.741	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@H](O)COc3c(C)cccc3C)n2C)c1	514291185	AKOWKYOQEBNDSD-HXUWFJFHSA-N	504.678	3.661	0	20	KHAD	
COc1ccc(F)cc1CN1CCN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1	514298985	BUGYMIQGVZWWIO-UHFFFAOYSA-N	544.476	3.886	0	20	KHAD	
CCOc1ccc(CCNC(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)cc1OCC	514377932	PJQCQDTVCLNRSM-UHFFFAOYSA-N	530.691	3.693	0	20	KHAD	
Cc1ccc(-c2csc3nc(S[C@@H](C(=O)NC(N)=O)C(C)C)n(C[C@H]4CCCO4)c(=O)c23)cc1	514292107	KUWUIDCBSFKWFY-VQIMIIECSA-N	500.646	3.924	0	20	KHAD	
Cc1noc(C)c1COc1ccc(CC(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1	514294881	CMQDGHQAMSAOHR-UHFFFAOYSA-N	538.626	3.573	0	20	KHAD	
CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)[C@@H]1c1ccc(OC)cc1	514301315	ZTQNFCCTUPGHDE-NVQXNPDNSA-N	547.649	3.574	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)c3ccccc3)n2[C@H](C)COC)c1	514374258	PBYTXJDCRNZHCT-LJQANCHMSA-N	531.704	3.938	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1	514375728	VYTWSIFLMSQFAQ-UHFFFAOYSA-N	641.864	3.910	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1C(C)C)[C@@H]1CCS(=O)(=O)C1	514388979	WTVAMHVAWAFCNX-AZUAARDMSA-N	513.689	3.969	0	20	KHAD	
CCCn1c(CCC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514392120	RCJWLCUNEDQVCS-HHHXNRCGSA-N	552.676	3.942	0	20	KHAD	
CCCn1c(CCC(=O)Nc2ccc(OCC)c(S(=O)(=O)N(C)C)c2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514403720	ZZDSTQWPLLMVAG-UHFFFAOYSA-N	593.772	3.697	0	20	KHAD	
CCc1cc[n+](/C(C(=S)NCC(F)(F)F)=C(/O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1	725760176	LFLJFNBBEUPVEL-AWEZNQCLSA-O	500.588	3.610	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1)[C@@H]1CCS(=O)(=O)C1	514374411	BMOOOGSTWIPXGG-QGZVFWFLSA-N	513.085	3.609	0	20	KHAD	
CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Oc2cccc(C)c2)c(O)nc1=O	514379699	XBWPKIVXKPEEIU-UHFFFAOYSA-N	670.789	3.615	0	20	KHAD	
COCCn1c(SCC(=O)Nc2cccc(N3CCCC3=O)c2)nc2sc3c(c2c1=O)CCCC3	514391777	OMPHJYOZSUEWGZ-UHFFFAOYSA-N	512.657	3.841	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCCCC(N)=O	514404093	YSBFOPXZBAXATF-UHFFFAOYSA-N	585.752	3.656	0	20	KHAD	
O=C(CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)Nc1ccc(Br)c(C(F)(F)F)c1	514302712	QUYRZEXUUFYOAW-CQSZACIVSA-N	550.401	3.806	0	20	KHAD	
C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514375469	RCVQCTNELXQLLE-FQEVSTJZSA-N	636.747	3.995	0	20	KHAD	
O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	514383742	JFEAHECLZRLHIU-OFNKIYASSA-N	520.424	3.954	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2CCC[C@H]2c2ccc(OC)cc2OC)c1	514387133	IXLLDWWRWVISNG-QFIPXVFZSA-N	505.637	3.519	0	20	KHAD	
COCCCn1c(SCC(=O)N2CCN(Cc3ccccc3C)CC2)nnc1-c1ccc(OC)c(OC)c1	514392045	SRCCZYJJCJXBPH-UHFFFAOYSA-N	539.702	3.744	0	20	KHAD	
CCOc1ccc(CCC2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)cc(OC)c3OC)CC2)cc1	514394571	OJIISNNMOFHPTO-UHFFFAOYSA-N	546.686	3.608	0	20	KHAD	
CCOc1ccc(NC(=O)[C@H](CCSC)NC(=O)c2cccc(C)c2)cc1S(=O)(=O)N(CC)CC	514377700	FOTJOMSTGSTAHW-NRFANRHFSA-N	521.705	3.914	0	20	KHAD	
CCCCCn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3ccc(OC)c(OC)c3)nnc12	514404537	HCMKIKOEFRCKJH-UHFFFAOYSA-N	509.632	3.703	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(Br)cc1F	514388057	UIBDYZCFUIGMTR-UHFFFAOYSA-N	526.428	3.852	0	20	KHAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)CCOc3cccc(Cl)c3)c12	514388230	RKMLMRFEJRHMBK-GOSISDBHSA-N	503.024	3.781	0	20	KHAD	
COc1ccc([C@@H]2CCCCCN2C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)cc1	514388675	WDQHYPSTQBFKQZ-VWLOTQADSA-N	540.686	3.679	0	20	KHAD	
COCCCn1c(SCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)nnc1-c1ccccc1Cl	514395611	OKTLRQNSSNJCOP-UHFFFAOYSA-N	544.077	3.516	0	20	KHAD	
CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	514391072	FLOLGPICXSIEGP-IBGZPJMESA-N	507.008	3.943	0	20	KHAD	
CCCCN/C(S)=C(/C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)[n+]1ccc2c(c1)CCCC2	27322601	WTHUWQBCLQUIAQ-SFHVURJKSA-O	500.710	3.892	0	20	KHAD	
CCOC(=O)Cc1csc(NC(=O)CSc2nc3sc4c(c3c(=O)n2CCCN(C)C)CCCC4)n1	514292983	PUAKWFDITQPAFZ-UHFFFAOYSA-N	549.744	3.581	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)c(O)nc1=O	514297800	XUJLQLQAQCDYBV-UHFFFAOYSA-N	628.752	3.857	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@H](Cc3ccccc3)C(C)=O)n2[C@@H](C)COC)c1	514374925	IGLDGBMZMWRXGX-NBGIEHNGSA-N	587.768	3.592	0	20	KHAD	
CC[C@@H](C)n1c(SCC(=O)Nc2nc(CC(=O)OC)cs2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514375931	WZCFBCKFTMSYFL-MRXNPFEDSA-N	580.758	3.849	0	20	KHAD	
CC(=O)c1sc2[nH]c(CSc3nnc(-c4ccc(F)cc4)n3CCN3CCOCC3)nc(=O)c2c1C	514383420	IYJUYDHHTUCSQO-UHFFFAOYSA-N	528.635	3.518	0	20	KHAD	
CCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)nnc1-c1ccncc1	514386389	NEHADOSDZOLWSF-UHFFFAOYSA-N	543.719	3.722	0	20	KHAD	
Cc1cc(NC(=O)CN2CCN(CC(=O)N(Cc3ccccc3)c3nc4c(C)c(C)ccc4s3)CC2)no1	514391776	QIUCHFIXFNUORU-UHFFFAOYSA-N	532.670	3.999	0	20	KHAD	
Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1	514295607	IUBLEGRSIIPTFT-ROUUACIJSA-N	513.616	3.850	0	20	KHAD	
Cc1cc(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)c(C)n1[C@H]1CCS(=O)(=O)C1	514303642	XPWWXHDYKVBEAU-NRFANRHFSA-N	513.689	3.616	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)c(NC(=O)Cc2c(C)nn(C)c2C)c1	514390952	CYOOERKOPZJPAM-UHFFFAOYSA-N	568.744	3.584	0	20	KHAD	
CCCCOC(=O)Nc1ccn([C@@H]2O[C@H](CO[P@](=O)(N[C@H](C)C(=O)OC(C)C)Oc3ccccc3)[C@@H](O)C2(F)F)c(=O)n1	2048529157	LIKBZQPVKUKSNP-CQVGVSGOSA-N	632.554	3.619	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1	514294751	AOMVDJASAIYRJS-UHFFFAOYSA-N	614.495	3.946	0	20	KHAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OCC	514295504	BWUFFJIOCCHHSS-UHFFFAOYSA-N	542.580	3.642	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cn3)n2[C@@H](C)COC)c1	514298590	BLHXFZFVZNBRAZ-INIZCTEOSA-N	553.110	3.962	0	20	KHAD	
CCCn1c(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)nc2ccc(Br)cc2c1=O	514383347	GYAOILOSRBSAEZ-UHFFFAOYSA-N	535.489	3.707	0	20	KHAD	
CCOc1ccc(-n2c(COc3ccc(Cl)cc3C)nnc2S[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	514387939	JVJCKKBHDJBLFH-IEBWSBKVSA-N	565.117	3.991	0	20	KHAD	
C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514291603	HITMHNGNBRMDCJ-GFCCVEGCSA-N	549.984	3.542	0	20	KHAD	
CN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1	514292536	NLVXIVVIGDROFH-UHFFFAOYSA-N	555.726	3.832	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C	514292915	PIFBCXNZHVHURF-UHFFFAOYSA-N	515.661	3.705	0	20	KHAD	
COc1ccc(CNC(=O)[C@H](CCSC)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC	514295930	GUCKUBCITVQMLW-INIZCTEOSA-N	507.461	3.727	0	20	KHAD	
Cc1sc2nc(S[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)n(C3CCCC3)c(=O)c2c1C	514374803	HOTVHPRNWBIVPE-CQSZACIVSA-N	506.675	3.957	0	20	KHAD	
CCc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCOCC3)n2)s1	514384332	OIDPBCKPNNVNAQ-UHFFFAOYSA-N	506.675	3.773	0	20	KHAD	
O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514385075	ZJXIJXDBBLQYHW-LEWJYISDSA-N	561.129	3.934	0	20	KHAD	
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1	514403717	ZWORNYGFYQEVIP-LJQANCHMSA-N	566.479	3.656	0	20	KHAD	
Cc1cc(NC(=O)CCSc2nc3cc(-c4ccccc4)sc3c(=O)n2CCN2CCOCC2)no1	514404200	BVPUFWDPSXKYRL-UHFFFAOYSA-N	525.656	3.875	0	20	KHAD	
O=C1CSc2ncc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5ccccc5Cl)sc4C3)cc2N1	1821889256	AANPRPGGRCYNBK-GFCCVEGCSA-N	500.005	3.775	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3ccccc3)n2C)c1	514293056	RGRNSGQTMPEGGL-ROUUACIJSA-N	501.678	3.871	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1	514377462	WKQXEMFMBCQGSO-UHFFFAOYSA-N	559.710	3.918	0	20	KHAD	
CCOc1ccc([C@H](CNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c2c[nH]c3ccccc23)cc1OC	514389204	CBJOSGMLHOXNHJ-BDTNDASRSA-N	503.599	3.999	0	20	KHAD	
COCCCn1c(SCC(=O)Nc2ccccc2N2CCCC2=O)nnc1-c1ccc(OC)c(OC)c1	514391132	HDINVJZLZFUHIP-UHFFFAOYSA-N	525.631	3.856	0	20	KHAD	
Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)nc4sccn34)sc2C1	1821151827	UHOZMDCKQNDSMQ-CYBMUJFWSA-N	500.005	3.714	0	20	KHAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	514376581	OJYQHSKPFDQAIE-AUSIDOKSSA-N	524.039	3.793	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1c(O)nc(=O)n(CCCC)c1N	514379369	QXZIDIAWZLTLRK-NRFANRHFSA-N	555.676	3.770	0	20	KHAD	
O=C1CSc2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cnccc3Cl)CC4)ccc2N1	1816972311	AELYXHMQUKWLFI-GFCCVEGCSA-N	500.005	3.775	0	20	KHAD	
Cc1c(Cl)cccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)nc4sccn34)sc2C1	1821150856	BPIOATQUJNRYKD-GFCCVEGCSA-N	500.005	3.714	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NC[C@H](c1ccco1)N1CCCCC1)n2CC(C)C	514292726	PPCAJJSMYSBNKB-HXUWFJFHSA-N	512.655	3.624	0	20	KHAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514294209	XNAIZHAFUOIJEF-UHFFFAOYSA-N	542.883	3.909	0	20	KHAD	
CCc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)n2)s1	514299412	FETCDNLOFVJNLR-UHFFFAOYSA-N	548.712	3.544	0	20	KHAD	
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)N2CCOCC2)cc1	514376468	AMRPOAJZRFMMTL-MHZLTWQESA-N	543.730	3.583	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc3n(-c4c(C)cccc4C)c(=O)c4ccccc4n23)CC1	514376660	PJHJATUCIHRYMB-IBGZPJMESA-N	533.654	3.933	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)oc(C)c1C(C)=O	514383996	IROGNHDQXBDRQL-UHFFFAOYSA-N	503.602	3.885	0	20	KHAD	
COCCN(C(=O)CCC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C)c1c(O)nc(=O)n(CC(C)C)c1N	514384564	VVBOVGHYHYFTMP-DEOSSOPVSA-N	529.682	3.584	0	20	KHAD	
COc1ccc(Cc2nnc(SCC(=O)N3CCCc4cc(S(=O)(=O)N5CCCC5)ccc43)o2)cc1	514389774	MHQNDIYMUVDQSA-UHFFFAOYSA-N	528.656	3.525	0	20	KHAD	
CCn1c(CCC(=O)N2CC[C@H](C)Sc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514390364	HTCVGRMOIXPACP-IBGZPJMESA-N	528.700	3.927	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3cnc4c(Cl)cccn34)sc2C1)c1snnc1C1CC1	1816078406	WHUAPQPVIFMOJR-NSHDSACASA-N	500.009	3.713	0	20	KHAD	
C[C@@]1(c2ccccc2C(=O)O)[C@@H](c2ccccc2C(=O)O)[C@H](COC(=O)c2ccccc2)O[C@H]1n1ccc(O)nc1=O	2048529382	UTAKMXJZJMIWGV-VIRWVGEDSA-N	570.554	3.841	0	20	KHAD	
O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)Nc1cccc(S(=O)(=O)N2CCCC2)c1	514291510	GXKWUFIZPNALRX-SFHVURJKSA-N	533.701	3.701	0	20	KHAD	
Cc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)c(C)n1[C@@H]1CCS(=O)(=O)C1	514292350	KIUFEDHNXWOTTQ-OAHLLOKOSA-N	505.687	3.627	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514294375	XZIXMHGJUNCRPI-UHFFFAOYSA-N	580.736	3.548	0	20	KHAD	
C[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccccc1)N1CCCCC1	514295494	BVLVZNMTVBADAH-FCHUYYIVSA-N	584.768	3.954	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CC[C@H](C)C4)CC1	514375274	OKUYUTLBOMPNEV-FUHWJXTLSA-N	533.716	3.656	0	20	KHAD	
Cc1ccc(-n2ccnn2)c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnc(Cl)s4)sc3C2)c1	1820787427	JFBNGYLNNUWUTK-GFCCVEGCSA-N	500.009	3.682	0	20	KHAD	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1	514295211	AAGXAFYDGSYTKJ-HHHXNRCGSA-N	614.124	3.580	0	20	KHAD	
CC[C@H](C)N(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1	514299318	LCKYUPXCOPRICC-KRWDZBQOSA-N	550.699	3.858	0	20	KHAD	
CCCCn1c(CCC(=O)NCCCc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514302726	RJOGHEWYLBRZHP-UHFFFAOYSA-N	512.676	3.539	0	20	KHAD	
CCCCCn1c(SCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)nc2ccc(Br)cc2c1=O	514303882	QBEXZHVQDWUXGU-QGZVFWFLSA-N	582.546	3.945	0	20	KHAD	
CCCCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1c(O)nc(=O)n(CCCC)c1N	514378974	KZPZSSPTMUBHHH-UHFFFAOYSA-N	515.636	3.848	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c(O)nc1=O	514380184	YVCAXSNRWHGUBE-UHFFFAOYSA-N	528.610	3.531	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NCCSc2ccc(Cl)cc2)c(O)nc1=O	514384288	MUTBBHKBTDVCDS-UHFFFAOYSA-N	524.087	3.662	0	20	KHAD	
CCOc1ccc(NC(=O)[C@H](CCSC)NC(=O)c2ccccc2)cc1S(=O)(=O)N(CC)CC	514292381	KRJBTZRZIHYZIN-FQEVSTJZSA-N	507.678	3.606	0	20	KHAD	
CCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514293414	UQIKTUXUOZDPAB-HXUWFJFHSA-N	636.800	3.944	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)NCCCSc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N	514297979	YLGQXBDTJCSQSO-UHFFFAOYSA-N	517.696	3.933	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C	514300613	POMXEOGWKBETDQ-UHFFFAOYSA-N	515.636	3.808	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2cc(C(C)(C)C)ccc2O)c(O)nc1=O	514390815	WEMYDBBQOZXZPP-UHFFFAOYSA-N	501.628	3.742	0	20	KHAD	
CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCC(NC(=O)c2ccccc2)CC1	514391553	LGPQGHREDNKQKJ-HXUWFJFHSA-N	544.526	3.814	0	20	KHAD	
CCCn1c(CS[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395046	BBXYPKZGEIHCEJ-SIKLNZKXSA-N	558.726	3.729	0	20	KHAD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1CC(C)C	514395370	IZUJPMLICUQRRG-HNNXBMFYSA-N	507.638	3.572	0	20	KHAD	
Nc1nc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(-c4ccc(Cl)cc4)[nH]n2)CC3)cs1	1815132650	QYLJVYDPXGTGDD-GFCCVEGCSA-N	500.009	3.765	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc(SC[C@@H]2CCCCO2)n1-c1ccccc1	514291066	CRNGYPDODSRQFH-NRFANRHFSA-N	514.673	3.925	0	20	KHAD	
CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	514295825	FUWGRYNRMRVHLQ-QGZVFWFLSA-N	587.564	3.702	0	20	KHAD	
CCc1ccc(OCc2nnc(SCC(=O)N(CCOC)c3c(O)nc(=O)n(Cc4ccccc4)c3N)n2CC(C)C)cc1	514374872	ZWURQPWNIRGBQT-UHFFFAOYSA-N	621.764	3.740	0	20	KHAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(CCC(C)C)c3c(O)nc(=O)n(Cc4ccccc4)c3N)c12	514382663	UUBOPCSOJIJQRI-JOCHJYFZSA-N	619.748	3.562	0	20	KHAD	
Cn1c(SC[C@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)nnc1[C@H]1CCS(=O)(=O)C1	514388141	VPLAHDHFIBLRLX-GHTZIAJQSA-N	501.674	3.575	0	20	KHAD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C	514402160	GTWMJZLKWBPRRX-LJQANCHMSA-N	514.648	3.617	0	20	KHAD	
CN(C)C[C@@H](CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1)OC(=O)/C=C\C(=O)O	2048529523	MAGMEMHASFDBDV-FDICQLOXSA-N	602.019	3.776	0	20	KHAD	
CCCn1c(S[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)nc2ccc(Br)cc2c1=O	514374985	JGPHJMLTLLOOCM-HNNXBMFYSA-N	533.448	3.627	0	20	KHAD	
CCO[C@H](C)c1nc(CC(=O)N2CCN([C@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)cs1	514404504	FYYRGJQZDQSXGA-RLWLMLJZSA-N	506.672	3.985	0	20	KHAD	
C[C@@H]1Cc2cc(C(=O)/C(=C(/S)Nc3ccccc3F)[n+]3cccc(O)c3)ccc2N1S(C)(=O)=O	27097837	JYMYXNYKEJZYND-OAHLLOKOSA-O	500.597	3.580	0	20	KHAD	
O=C(CSc1ccc(F)c(F)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514299237	DMNPDRHTPKGZRM-UHFFFAOYSA-N	526.505	3.658	0	20	KHAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	514387911	NJTCBZQZQHMEDD-CYBMUJFWSA-N	534.988	3.685	0	20	KHAD	
O=C(CSc1nnc(N2CCOCC2)n1C1CC1)N(Cc1cccs1)c1ccc2c(c1)OCCO2	514402766	MWGFGZFFLMDFBK-UHFFFAOYSA-N	513.645	3.608	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)Nc1nc3cc(Cl)ccc3n1C)n2CC(C)C	520920497	ONLAQGIYPQVUPB-UHFFFAOYSA-N	500.003	3.866	0	20	KHAD	
COc1ccc([C@H](CNC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)N2CCOCC2)cc1	514292081	KJJNJOKPEUARQZ-VWLOTQADSA-N	532.670	3.845	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(COc2ccccc2F)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514293378	UHCZFPHUKNHDBW-HXUWFJFHSA-N	532.663	3.893	0	20	KHAD	
Cc1c(-c2ccccc2)sc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1C(=O)N1CCOCC1	514294272	YRHKSQXBBIQTNB-PMACEKPBSA-N	509.628	3.700	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(O)nc1=O	514296784	QGBAQDJSWVEYFO-UHFFFAOYSA-N	567.712	3.672	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N[C@H](C)c2ccc(Br)cc2)c(O)nc1=O	514378131	SDDXXCOYCMURRZ-MRXNPFEDSA-N	536.471	3.740	0	20	KHAD	
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)CC2	514386882	HLGISQCAQXLTAI-LXFBAYGMSA-N	512.672	3.610	0	20	KHAD	
COCCn1c(SCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)nc2cc(Cl)ccc21	514389567	JSHKBMLEGQBOGY-UHFFFAOYSA-N	523.080	3.658	0	20	KHAD	
O=C(CCSc1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514301958	JOSMRBLEWVBOSM-UHFFFAOYSA-N	522.542	3.909	0	20	KHAD	
CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)CC2)cc1	514385759	TZWFHRXHWDURKH-UHFFFAOYSA-N	525.715	3.940	0	20	KHAD	
O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1	498337312	VOKPVFCVJDXEDI-UHFFFAOYSA-N	500.005	3.982	0	20	KHAD	
CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O	514302130	BRGUNYUBKDLASA-KRWDZBQOSA-N	599.097	3.520	0	20	KHAD	
C[C@@H]1CN(Cc2csc(NC(=O)c3cccc(NS(=O)(=O)c4ccc5c(c4)OCCO5)c3)n2)C[C@@H](C)O1	514302498	FVRAKAKSLFFZJQ-IAGOWNOFSA-N	544.655	3.577	0	20	KHAD	
CCCCCN(C(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)c1c(O)nc(=O)n(CCCC)c1N	514378635	GKWTXCPEZJFPJG-IBGZPJMESA-N	533.695	3.731	0	20	KHAD	
Cc1ccccc1NC(=O)Cc1nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cs1	514381886	AUHOVTOIBVBDNL-UHFFFAOYSA-N	510.685	3.628	0	20	KHAD	
COc1ccc(CN2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)CC2)c(OC)c1OC	514387690	IPZLNKKRLPPFRA-UHFFFAOYSA-N	545.702	3.624	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1	514388875	UNCBKBNMJISJTC-YJBOKZPZSA-N	517.698	3.841	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1C(C)C)[C@H]1CCS(=O)(=O)C1	514388981	WTVAMHVAWAFCNX-QUCCMNQESA-N	513.689	3.969	0	20	KHAD	
COc1cc2ncn(CCCC(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)c(=O)c2cc1OC	514403640	WMXSLTIEJJNBQR-UHFFFAOYSA-N	502.575	3.818	0	20	KHAD	
NC(=O)CCn1c(SCC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)nnc1C1CC1	514396032	ZTMOFQYHEIOHHJ-UHFFFAOYSA-N	509.657	3.933	0	20	KHAD	
C[C@@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1nc2ccccc2n1C(F)F	514403676	YFXKXQIRINJCOU-GFCCVEGCSA-N	508.455	3.982	0	20	KHAD	
CC(C)OCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2cc(Cl)ccc2c1=O	514292431	KVNWMJFRMLQLFM-UHFFFAOYSA-N	595.143	3.617	0	20	KHAD	
CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N[C@H](c2ccc([C@H](C)CC)cc2)C(C)C)c(O)nc1=O	514300042	LNGZJYTTXBQPLT-DVECYGJZSA-N	529.682	3.728	0	20	KHAD	
CCS(=O)(=O)c1ccc(O)c(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1	514300884	RPFLNQWTPKHZJI-UHFFFAOYSA-N	521.444	3.532	0	20	KHAD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1	514376704	FNJYCSPBIJBRTP-UHFFFAOYSA-N	517.648	3.759	0	20	KHAD	
CCOC(=O)c1sc2[nH]c([C@@H](C)Sc3ccc(S(=O)(=O)N4CCCCC4)cn3)nc(=O)c2c1C	514380362	IJDCEDSDFAKCRB-CQSZACIVSA-N	522.674	3.893	0	20	KHAD	
COC(=O)CCCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2cc(Cl)c(OC)cc2OC)c1	514380743	OSBUSRCMTGDGIL-UHFFFAOYSA-N	513.012	3.646	0	20	KHAD	
COc1ccc([C@@H]2CCCN2C(=O)CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)cc1OC	514396038	ZVMMSYUQFWTWBQ-SFHVURJKSA-N	505.618	3.551	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c(O)nc1=O	514300138	UBCOLNCEJZRDCM-UHFFFAOYSA-N	505.579	3.974	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514303817	OCQPMCHZZJPILL-UHFFFAOYSA-N	608.602	3.979	0	20	KHAD	
CCCCCn1c(CCC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nc2c1c(O)nc(=O)n2CCCC	514377660	DKFMOTGRKJFBJH-UHFFFAOYSA-N	620.755	3.804	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N[C@@H](C)c2ccc(Br)cc2)c(O)nc1=O	514378130	SDDXXCOYCMURRZ-INIZCTEOSA-N	536.471	3.740	0	20	KHAD	
CCCn1c(CCC(=O)NC[C@H](c2cccs2)N(C)C)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514380575	NHSGNZQWVHTQCO-JOCHJYFZSA-N	517.721	3.644	0	20	KHAD	
CN1C(=O)Cc2cc(S(=O)(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3OCC(F)(F)F)ccc21	514394288	SFUCXRAZKBCYBE-UHFFFAOYSA-N	561.604	3.512	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1c(O)nc(=O)n(CC(C)C)c1N	514302078	ATEOODHJXRWDIY-UHFFFAOYSA-N	507.016	3.672	0	20	KHAD	
COc1ccc(CNc2nnc(SCC(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)s2)cc1	514389183	BIGOPYNLLBZSIC-UHFFFAOYSA-N	540.715	3.651	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)cc1	514402459	JKKWRJCOYQBTEQ-UHFFFAOYSA-N	546.999	3.512	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)CC1	514290779	BIMIPWUVBASGEL-GOSISDBHSA-N	536.720	3.513	0	20	KHAD	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1	514295077	ADNMSQLUOURWHR-UHFFFAOYSA-N	645.148	3.772	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1	514299264	JAIBWCDUNOGCIT-LJQANCHMSA-N	548.514	3.889	0	20	KHAD	
COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[C@H]2c2ccccc2OC)cc1	514378812	XWIBETOUIWNKQT-SETSBSEESA-N	609.701	3.856	0	20	KHAD	
COCCN(C(=O)CSc1nnc(COc2ccccc2F)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1	514385359	FMBRIETWHQMCND-CDJZJNNCSA-N	580.748	3.748	0	20	KHAD	
CCCn1c(CCC(=O)Nc2ccc(NC(C)=O)c(Cl)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514394511	XFZJGSZLFVDDCF-UHFFFAOYSA-N	548.065	3.650	0	20	KHAD	
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2)cc1	514304378	SJPPKYNJDCXHLR-AREMUKBSSA-N	554.669	3.785	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514380056	ICTUIKNSQJMRBL-VQTJNVASSA-N	515.632	3.723	0	20	KHAD	
Cn1nccc1-c1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccnn4)sc3C2)sc1Cl	1820399359	CMYSVKHYTJNABK-LLVKDONJSA-N	500.009	3.588	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CC)[C@H]3CCS(=O)(=O)C3)n2-c2ccccc2)cc1	514299363	DILODBOZXTYBJP-QHCPKHFHSA-N	527.716	3.908	0	20	KHAD	
O=C(Nc1cc(Cl)ccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	514381578	JQMGCHROLVYXLU-UHFFFAOYSA-N	504.052	3.705	0	20	KHAD	
COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1	514383533	KVRSECMZFHGZKV-FDDCHVKYSA-N	524.643	3.971	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2cc(C)ccc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514402077	DPUVHJLBCFVLKJ-UHFFFAOYSA-N	502.612	3.876	0	20	KHAD	
CCCCn1c(CCC(=O)NCC(=O)Nc2ccc(Br)cc2C)nc2cc(S(=O)(=O)N(C)C)ccc21	514293563	SLAQTKVGAUNHPM-UHFFFAOYSA-N	578.533	3.845	0	20	KHAD	
CCOCCCn1c(S[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)nc2ccc(Br)cc2c1=O	514303212	VQRABOSEVZLCQB-KRWDZBQOSA-N	577.501	3.644	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCc3cnn(-c4ccccc4)c3)n2[C@@H](C)COC)c1	514303389	LQXGVDAZVHAVBA-NRFANRHFSA-N	597.767	3.777	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)cc1	514381741	QGAPNXHDTNLNSB-LJQANCHMSA-N	532.631	3.754	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)cc1	514383445	DRWUFNHQIKTJCB-UHFFFAOYSA-N	651.443	3.959	0	20	KHAD	
CCOc1cc(NC(=O)C2CCN(S(=O)(=O)CC)CC2)c(OCC)cc1NC(=O)c1ccccc1	514385201	CGAZNYVINNLLJR-UHFFFAOYSA-N	503.621	3.737	0	20	KHAD	
COc1ccc(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1S(=O)(=O)N1CCCCCC1	514390299	FJDPFOREPGPBRX-QHCPKHFHSA-N	500.596	3.652	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)c1	514300048	LSBCWKDBRFEODA-UHFFFAOYSA-N	521.705	3.918	0	20	KHAD	
C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2)C(=O)N1C[C@H](C)C[C@@H](C)C1	514375077	KFGBQQOZOGLBHR-VSKRKVRLSA-N	627.789	3.728	0	20	KHAD	
CC[C@@H](c1nnc(SCc2nc(O)c3c4c(sc3n2)CCCC4)n1CCN1CCOCC1)N(C)C	514375576	SARAJGYICUCKBC-KRWDZBQOSA-N	517.725	3.504	0	20	KHAD	
Cc1sc2nc(CS[C@H](C)C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)nc(O)c2c1C	514377291	QFGWOOCLWJLBAZ-APWZRJJASA-N	504.653	3.964	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3nc4cc5c(cc4s3)OCCO5)c12	514384385	OPQYTWSUUVKMLQ-AWEZNQCLSA-N	525.612	3.610	0	20	KHAD	
O=C1CCc2cc(=C(O)/C(=C(/S)Nc3ccc(SC(F)F)cc3)[n+]3cccc(O)c3)ccc2=N1	912780780	IMJGDMNWKHSIEN-UHFFFAOYSA-O	500.572	3.621	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)c(O)nc1=O	514296319	OJDBCKKNZBVPQS-UHFFFAOYSA-N	583.711	3.752	0	20	KHAD	
CCN(CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC)CC(=O)Nc1ccccc1C(F)(F)F	514381143	ZCUSCAGVSCPDSO-UHFFFAOYSA-N	544.596	3.644	0	20	KHAD	
C[C@@H](Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	514395455	LADVHKJMXAUHAK-XXBNENTESA-N	529.663	3.601	0	20	KHAD	
Cc1cccc(C)c1NC(=O)CN(C)CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	514404138	ZTBIRCFJUILDCZ-UHFFFAOYSA-N	507.056	3.640	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C	514302087	AWRYSOGQYINOAU-VWLOTQADSA-N	570.133	3.555	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(O)nc1=O	514302129	BRAYVVVGQADKRE-UHFFFAOYSA-N	571.700	3.682	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)c1	514379535	CSFBGBUHRPIXDU-BGYRXZFFSA-N	567.730	3.555	0	20	KHAD	
COc1cc(C)c(CN2CCN(C(=O)CSc3nnc(-c4cccnc4)n3Cc3ccco3)CC2)cc1OC	514385119	ZDSHLKIZKSKYLZ-UHFFFAOYSA-N	548.669	3.744	0	20	KHAD	
Cn1c(=O)c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4sccc4Cl)sc3C2)nc2ccccc21	1820889382	HVDQMAPWLRIRNS-LLVKDONJSA-N	500.005	3.645	0	20	KHAD	
CCn1c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)nc2sc(C)c(C)c2c1=O	514290962	BMNNAEWYQQPYOU-UHFFFAOYSA-N	515.082	3.729	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCc3ccccc3OC)n2[C@@H](C)COC)c1	514296460	MCKTYHBBDOMIHI-FQEVSTJZSA-N	575.757	3.643	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1	514304429	TWHKMQORNZAPFT-QGZVFWFLSA-N	507.603	3.725	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1	514401772	DKGGOSJBKURMPN-GOSISDBHSA-N	513.538	3.570	0	20	KHAD	
O=C(Nc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c(O)c1)c1ccc(Cl)c(Cl)c1	514402645	QKIRZIXLWROLDB-MRXNPFEDSA-N	506.386	3.662	0	20	KHAD	
CCOCCCn1c(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nc2ccc(Br)cc2c1=O	514381543	ISTUQEGMIJYPRU-MRXNPFEDSA-N	597.557	3.955	0	20	KHAD	
COCCCn1c(SCC(=O)NCc2cc(OC)c(OC)cc2OC)nc2cc(Cl)ccc2c1=O	514386728	ZVUYTTZHJHLQGG-UHFFFAOYSA-N	522.023	3.521	0	20	KHAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)c(Br)c1	514402291	NROYCGYQKAEEJT-UHFFFAOYSA-N	510.406	3.918	0	20	KHAD	
CCc1cc[n+](/C(C(=S)NCC(F)(F)F)=C(/O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1	725760178	LFLJFNBBEUPVEL-CQSZACIVSA-O	500.588	3.610	0	20	KHAD	
O=C1CSc2ncc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3ccccc3Cl)CC4)cc2N1	1824223251	YBRHUJBOAJZOOB-GFCCVEGCSA-N	500.005	3.775	0	20	KHAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1	514377820	KVATYEHNHKRHCH-UHFFFAOYSA-N	500.573	3.554	0	20	KHAD	
COCCCn1c(SC[C@@H](O)CO[C@H]2CCCc3ccccc32)nc2cc(C(=O)OC)ccc2c1=O	514388429	YJDSXBIJVPANEU-RDPSFJRHSA-N	512.628	3.767	0	20	KHAD	
CCn1c(CCC(=O)NCCSc2ccc(Cl)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514391083	ZMJCQAQOMXYQOX-UHFFFAOYSA-N	537.107	3.572	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2[C@@H](C)COC)c1	514404316	BQFLBIFQQHBTMH-NRFANRHFSA-N	652.865	3.944	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c(O)nc1=O	514296379	OZCSRABHDUYEIA-UHFFFAOYSA-N	557.673	3.724	0	20	KHAD	
CCc1cccc(CC)c1-n1c(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccnc1	514299353	DHVXQRCTNIVEAW-ZEQRLZLVSA-N	569.753	3.741	0	20	KHAD	
COC(=O)c1c(NC(=O)CSc2nnc(N3CCOCC3)n2Cc2ccccc2)sc2c1CCCC2	514382724	BHOJZDSTIRHIJK-UHFFFAOYSA-N	527.672	3.621	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1)[C@@H]1CCS(=O)(=O)C1	514383817	LYLVACIVUISONR-CQSZACIVSA-N	508.449	3.719	0	20	KHAD	
Clc1ccc(OCCSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)c(Br)c1	514394548	YKLGAEARGGJZRG-OAHLLOKOSA-N	503.850	3.881	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1c(O)nc(=O)n(CC(C)C)c1N	514293793	SVKGIQCSRFWEAS-FQEVSTJZSA-N	573.695	3.689	0	20	KHAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)CC1	514376806	RWLPTFVNHVEPED-UHFFFAOYSA-N	632.805	3.678	0	20	KHAD	
CCCCCN(C(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)c1c(O)nc(=O)n(CCCC)c1N	514378636	GKWTXCPEZJFPJG-LJQANCHMSA-N	533.695	3.731	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc(Cl)s4)CC3)CC2)cc1	514381964	YCCQWLQTNHIOHU-UHFFFAOYSA-N	512.097	3.545	0	20	KHAD	
CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)c1	514382146	IDSWNUHYWNXIKD-UHFFFAOYSA-N	548.731	3.791	0	20	KHAD	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2sc3cccc(F)c3c2COC)CC1	514383457	JNLUWXYRJOTLAH-UHFFFAOYSA-N	576.716	3.602	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)N2CCSc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395927	XHKZNOHPKZTTBL-KRWDZBQOSA-N	532.713	3.697	0	20	KHAD	
COc1ccc(OC)c(S(=O)(=O)N2CCN([C@H](C)c3nc(O)c4c5c(sc4n3)C[C@H](C)CC5)CC2)c1	514401551	YUHDRRIARVHWCN-HZPDHXFCSA-N	532.688	3.606	0	20	KHAD	
C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cccc(S(=O)(=O)N4CCc5sccc5C4)c3)CC2)C1	514403332	SZUUIBYGVOZAIO-IBGZPJMESA-N	515.701	3.606	0	20	KHAD	
CCCCn1c(SCc2nc(=O)c3c(C)c(C(C)=O)sc3[nH]2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514404540	HFFRSKZSHCYYNO-UHFFFAOYSA-N	575.738	3.959	0	20	KHAD	
O=C1CSc2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3ccncc3Cl)CC4)ccc2N1	1816972789	FXXFGSUQUABPED-GFCCVEGCSA-N	500.005	3.775	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c3cc(Cl)ccc13)CC2)c1nnsc1C1CC1	1817708229	FPHIENJFQQWDJF-LLVKDONJSA-N	500.009	3.941	0	20	KHAD	
Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)nc5sccn45)sc3C2)cc1Cl	1821151782	SRRGPACKSGAXKJ-CYBMUJFWSA-N	500.005	3.714	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)c1	514291558	GAIIFBUMGWUGHN-UHFFFAOYSA-N	628.773	3.566	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c1	514296357	LSFMEYZSYAKDCW-UHFFFAOYSA-N	506.650	3.531	0	20	KHAD	
CC[C@@H](c1nnc(SCc2nc(O)c3c(-c4ccco4)csc3n2)n1CCN1CCOCC1)N(C)C	514299606	HBJRIZQNFOLYFK-KRWDZBQOSA-N	529.692	3.886	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)s1	514393055	MGQYZOARRMSZMA-UHFFFAOYSA-N	508.691	3.515	0	20	KHAD	
O=C1CSc2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccnc3Cl)CC4)ccc2N1	1816969807	CHOBDYCDEGTRDE-GFCCVEGCSA-N	500.005	3.775	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(Br)cc2F)c(C(=O)OC)c1C	514296453	LXVSWTKVUPURIY-AWEZNQCLSA-N	597.506	3.570	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1	514301327	ZZCKKMIWUBBUQY-UHFFFAOYSA-N	578.757	3.753	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CSCC(=O)Nc2cccc(C)c2)c1	514377352	RWQGHOCHVLLZKP-UHFFFAOYSA-N	518.705	3.936	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(I)cc2C)c(C(=O)OC)c1C	514380915	RDYBUTOXHQMYDX-HNNXBMFYSA-N	640.543	3.581	0	20	KHAD	
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)c1	514381039	ZLFRDJZOAWMPGP-UHFFFAOYSA-N	559.010	3.706	0	20	KHAD	
CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)c1nnc2ccccn12	514382538	ORAOUWSWLRHHID-HNNXBMFYSA-N	558.549	3.565	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(=O)CN2CCN(C)CC2)c1	514388450	YOXQNSPRZFQAKR-UHFFFAOYSA-N	511.113	3.708	0	20	KHAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C	514390191	AVFLKPQDAMRNIG-UHFFFAOYSA-N	516.446	3.987	0	20	KHAD	
CC(C)CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1	514392283	WNQRQACLDYYCIY-FQEVSTJZSA-N	511.648	3.961	0	20	KHAD	
CCOc1ccc(N2C(=O)c3ccc(C(=O)N4CCC(C(=O)N5CCC[C@H](C)C5)CC4)cc3C2=O)cc1	514405603	YJDHPCORSSWQRM-IBGZPJMESA-N	503.599	3.997	0	20	KHAD	
CCOc1ccc(CCn2c(S[C@H](C)C(=O)NC(=O)NC)nnc2-c2ccc(OC)cc2)cc1OCC	514294440	ZTPHAFRBDHZZDN-QGZVFWFLSA-N	527.647	3.930	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)n2C)cc1	514384604	RDJIUNZOSLYZRJ-KRWDZBQOSA-N	516.693	3.698	0	20	KHAD	
COC(=O)C1CCN(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2OC)CCCC4)CC1	514402915	HERQVLSPQCUQAE-UHFFFAOYSA-N	527.668	3.838	0	20	KHAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)CSc3nnnn3C3CCCC3)ccc2C)cc1	514403255	KSNIEWKFVHONKY-UHFFFAOYSA-N	502.622	3.637	0	20	KHAD	
COc1ccc([C@@H](CNC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)N2CCCCC2)cc1	514300087	SIIADAHNACHXGB-AREMUKBSSA-N	515.676	3.642	0	20	KHAD	
CCn1c(SCC(=O)N(C)Cc2cccc(OC)c2OC)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514376022	ZMRKIIRKRIDWTC-UHFFFAOYSA-N	559.714	3.517	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4ccc(CCCNC(C)=O)cc4)cs3)CC2)cc1	514384271	MJZAYZPEDCTIQB-UHFFFAOYSA-N	556.710	3.927	0	20	KHAD	
COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)c1ccccc1	514388901	UZBAPJHGOHHLON-JTSKRJEESA-N	500.646	3.581	0	20	KHAD	
Cc1c(NC(=O)[C@H](C)SCC(=O)NCc2ccc(CN3CCCCC3)cc2)c(=O)n(-c2ccccc2)n1C	514390651	RXDFOMILEFUXPR-QFIPXVFZSA-N	535.714	3.847	0	20	KHAD	
COc1cc2ncn(CCCC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)c(=O)c2cc1OC	514390754	URSHCFVOQYZICL-UHFFFAOYSA-N	549.049	3.661	0	20	KHAD	
CCCn1c(N)c(N(CCOC)C(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)c(O)nc1=O	514392853	FDDDQIKTCZWTPX-UHFFFAOYSA-N	519.606	3.535	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514402467	JOHUCRXJXLWJJG-SFHVURJKSA-N	502.662	3.813	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2CCCOC)cc1	514405481	WJHRRXVGCBPOCY-UHFFFAOYSA-N	577.729	3.760	0	20	KHAD	
CCOc1ccc(CN(C)C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)cc1	514291543	HCXBKXCTRCBMMM-UHFFFAOYSA-N	518.661	3.917	0	20	KHAD	
C[C@H](Sc1nnc(C[C@@H](C)c2ccccc2)o1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514376450	MINOUODUHZWFHB-MSOLQXFVSA-N	516.645	3.556	0	20	KHAD	
CCCCCN(C(=O)CSc1nnc(-c2ccccc2F)n1C)c1c(O)nc(=O)n(CCCC)c1N	514376455	MKGHTUMFFFQJEO-UHFFFAOYSA-N	517.631	3.581	0	20	KHAD	
CCCn1c(CCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514384066	KKBJKMWWNZLAQP-UHFFFAOYSA-N	596.798	3.809	0	20	KHAD	
CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	514386878	HJZAPXHDAVXODW-GOSISDBHSA-N	537.432	3.662	0	20	KHAD	
O=C(CSc1nnc(N2CCOCC2)n1Cc1ccco1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl	514393040	LSKPFJFUAPGRGC-UHFFFAOYSA-N	595.147	3.705	0	20	KHAD	
CCCn1c(CCC(=O)N2CCC(CCc3ccc(OC)cc3)CC2)nc2cc(S(N)(=O)=O)ccc21	514303038	JLWGPZCFKKTPPF-UHFFFAOYSA-N	512.676	3.906	0	20	KHAD	
COc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C	514377405	ULLAGZHWXKWNFB-DYESRHJHSA-N	512.632	3.602	0	20	KHAD	
CCc1ccccc1NC(=O)CNC(=O)CSc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1	514386622	VYCTUSBXPCKGQE-UHFFFAOYSA-N	513.067	3.926	0	20	KHAD	
C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	514388842	STVCRAGZDYEPLJ-ZDUSSCGKSA-N	510.041	3.820	0	20	KHAD	
CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C	514297181	QLHGRNISMRKVQE-HXUWFJFHSA-N	542.521	3.563	0	20	KHAD	
COCCCn1c(SCC(=O)N(C)[C@H]2CCCc3ccccc32)nc2cc(C(=O)OC)ccc2c1=O	514382886	BIIZWJHXZVFFNL-QHCPKHFHSA-N	509.628	3.848	0	20	KHAD	
CSCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)c1nnc2ccccn12	514390057	WNJYVBHAPRBHDV-OPYAIIAOSA-N	501.678	3.620	0	20	KHAD	
CCCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)nc2cc(S(N)(=O)=O)ccc21	514395234	GCFAKLNJCCXFFI-LJQANCHMSA-N	518.661	3.567	0	20	KHAD	
Cn1nccc1-c1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccnnc2)CC3)sc1Cl	1816061393	WQZQNROIKMHKRV-LBPRGKRZSA-N	500.009	3.588	0	20	KHAD	
CCn1c(CCC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514291179	ADMYMDSFXXPQTF-UHFFFAOYSA-N	575.757	3.831	0	20	KHAD	
COc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)n2)cc1Cl	514300377	MVWLOJZPSUFAGZ-UHFFFAOYSA-N	579.100	3.582	0	20	KHAD	
COc1ccc(CCN2C[C@H](C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)CC2=O)cc1OC	514377391	TWRKQJOPCPPXEQ-OAQYLSRUSA-N	503.603	3.718	0	20	KHAD	
COC(=O)C1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514387586	KDLORXLZCGFWQH-UHFFFAOYSA-N	548.967	3.974	0	20	KHAD	
COc1ccc(CN2CCN(CC(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)CC2)cc1F	514387794	QXNMVGJPDMONAA-UHFFFAOYSA-N	514.001	3.847	0	20	KHAD	
Cn1c(CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514390970	DRNNDJVDZMZENW-QHCPKHFHSA-N	538.670	3.815	0	20	KHAD	
CCCn1c(CCC(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514300621	QABCUACIRAPSHE-UHFFFAOYSA-N	616.791	3.860	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc([C@@H](CC)N(C)C)n2-c2ccc(OC)cc2)sc(C(N)=O)c1C	514375838	WPEUMGYACGTIGO-QGZVFWFLSA-N	560.702	3.665	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)c(O)nc1=O	514380202	ZOCFUPZTAWCKAU-UHFFFAOYSA-N	548.669	3.984	0	20	KHAD	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)NCC1(c2ccccc2)CC1	514402809	FFUMMYAOUPLFLI-UHFFFAOYSA-N	512.657	3.851	0	20	KHAD	
CCn1c(SCC(=O)NCc2ccc(OC)c(OC)c2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514293369	ULINODCKDRQFMB-UHFFFAOYSA-N	532.688	3.657	0	20	KHAD	
O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc(-c2nnc3n2CCCCC3)c1	514297898	WOQLCZXCDKOFIZ-UHFFFAOYSA-N	539.658	3.920	0	20	KHAD	
CC1CCN(c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)n2C[C@@H]2CCCO2)CC1	514301975	KBZGIPQLEJGHIA-QFIPXVFZSA-N	562.762	3.599	0	20	KHAD	
CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O	514302131	BRGUNYUBKDLASA-QGZVFWFLSA-N	599.097	3.520	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@@H](O)Cc3ccccc3)n2[C@H](C)COC)c1	514382652	ULPLLZRDRWNLLT-KNQAVFIVSA-N	518.705	3.879	0	20	KHAD	
CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	514387176	KEDRCLPGQBSVSZ-AREMUKBSSA-N	537.638	3.749	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1nnc(-c2ccc(OC)cc2)o1	514387250	DUCNCJUDMPOWFT-UHFFFAOYSA-N	516.645	3.847	0	20	KHAD	
CC(=O)NCCCc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)n2)cc1	514391451	JZKPCURPLQXLGK-OAQYLSRUSA-N	545.687	3.523	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)N[C@@H](C)c3ccccc3OC)nnc12	514395979	YKRRNKITUCZPBK-ROUUACIJSA-N	509.632	3.837	0	20	KHAD	
CCOc1c(Br)cc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)cc1OC	514294124	YZKCFDDLTSOTQV-UHFFFAOYSA-N	570.506	3.976	0	20	KHAD	
O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	514294971	DWTWZVJRKAISIK-UHFFFAOYSA-N	531.000	3.644	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)n1-c1ccc(OC)cc1)N(C)C	514375494	QBBRJJWMZJWCFO-NRFANRHFSA-N	546.719	3.578	0	20	KHAD	
O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1	514384563	QBNCJKMUEPXPSF-UHFFFAOYSA-N	546.423	3.657	0	20	KHAD	
CCCCN(C(=O)c1cc(C)nc2c1cnn2Cc1cccs1)c1c(O)nc(=O)n(CCCC)c1N	514388680	WGEISGVPMLLBLC-UHFFFAOYSA-N	509.636	3.941	0	20	KHAD	
Cc1cc(C)c2c(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)c(C(=O)N3CCOCC3)sc2n1	514389549	JFIFWAKFNHPNNU-UHFFFAOYSA-N	578.663	3.703	0	20	KHAD	
CCn1c(S[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)nc2scc(-c3cccs3)c2c1=O	514404976	OZJMFYJRJXCZPP-GUYCJALGSA-N	511.716	3.626	0	20	KHAD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1	514379429	UNWGXTUNDKWYEC-BGYRXZFFSA-N	508.619	3.914	0	20	KHAD	
COCCCn1c(SCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)nnc1-c1ccc(OC)c(OC)c1	514385881	XYRUSMHPQKCGAN-UHFFFAOYSA-N	560.698	3.686	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(C(C)C)n1Cc1ccco1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514391920	QAZKVCGSYYJRDH-UHFFFAOYSA-N	551.673	3.717	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1	514400882	DCSWGFNWEFJENW-UHFFFAOYSA-N	527.643	3.859	0	20	KHAD	
CCOc1ccc(-n2c(SCC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)nnc2-c2cccc(OC)c2)cc1	514300172	KTRBEHUEKVYITE-WIOPSUGQSA-N	586.736	3.628	0	20	KHAD	
C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	514300194	LJZRDYREGOPLDS-LBPRGKRZSA-N	509.959	3.894	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c(O)nc1=O	514377969	APHOOEILYODFOA-UHFFFAOYSA-N	598.509	3.865	0	20	KHAD	
COc1cc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1Cl	514379449	UYAWSCXLUJNKGU-UHFFFAOYSA-N	510.996	3.558	0	20	KHAD	
CCCn1c(CCC(=O)N2CCN(Cc3ccccc3)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514381102	XJQLUVOUKBGJOB-UHFFFAOYSA-N	523.703	3.508	0	20	KHAD	
COc1ccc(Cn2nccc2NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(OC)c1OC	514385857	WYZMKZGNADHFSW-UHFFFAOYSA-N	542.658	3.613	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1	514389850	OZSLAWPKOFMYQI-UHFFFAOYSA-N	584.720	3.666	0	20	KHAD	
COCCCn1c(SCC(=O)c2cc(C)n([C@H](C)COC)c2C)nc2cc(C(=O)OC)ccc2c1=O	514401916	BPJPCESGEMHLSN-QGZVFWFLSA-N	515.632	3.820	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)CC1	514292318	LZNAUXSGHPTVKE-SJLPKXTDSA-N	533.716	3.798	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1	514384340	OOGURAPOBOLHLR-PMACEKPBSA-N	550.703	3.633	0	20	KHAD	
CC(C)OCCCn1c(SCC(=O)N(CCC(N)=O)Cc2ccccc2)nc2cc(Cl)ccc2c1=O	514392172	VFMVRVBBEHIAOW-UHFFFAOYSA-N	531.078	3.861	0	20	KHAD	
COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3S(C)(=O)=O)n2C[C@@H]2CCCO2)cc1	514396002	ZBOMSSDHLMZUBL-APWZRJJASA-N	516.645	3.656	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1OC)n2CC	514291734	GTGNASPHMKFCSB-UHFFFAOYSA-N	605.783	3.841	0	20	KHAD	
O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514384381	OJRPGEXHJFTNSB-UHFFFAOYSA-N	564.089	3.742	0	20	KHAD	
CCCNC(=O)CSc1nnc(SCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)s1	514386095	CVCHSLIJOXFIII-HXUWFJFHSA-N	510.707	3.923	0	20	KHAD	
Cn1ncc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2nc(-c4ccccc4)ns2)CC3)c1Cl	1821005663	OVSLHCKYPMSNDS-GFCCVEGCSA-N	500.009	3.588	0	20	KHAD	
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1	514293723	WYNIQRGWUQAZJV-LPHOPBHVSA-N	538.066	3.925	0	20	KHAD	
CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1CC	514302157	CCYUPSIXTQDQIC-UHFFFAOYSA-N	515.661	3.879	0	20	KHAD	
COc1cc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)ccc1OC(F)F	514381714	PJONRIATTQTHSW-UHFFFAOYSA-N	508.587	3.845	0	20	KHAD	
COc1cc(-c2nnc(CN3CCN(Cc4ccc(Br)s4)CC3)o2)cc(OC)c1OC	514387166	JVGFGLAUVKYTSB-UHFFFAOYSA-N	509.426	3.904	0	20	KHAD	
O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1	514291240	CBBMORDVKGRCPF-UHFFFAOYSA-N	528.609	3.528	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)c1	514292571	LUGGONMVRHPELB-QGZVFWFLSA-N	534.683	3.790	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Sc3nnc(-c4cccs4)n3C3CC3)CC2)cc1	514302024	KTLPRJOVIRRWFQ-QGZVFWFLSA-N	517.702	3.664	0	20	KHAD	
C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccc3c(c2)OCO3)C1	514375048	KFGBQQOZOGLBHR-BDTNDASRSA-N	627.789	3.728	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nnc1-c1ccncc1	514375438	PDRHIECCVPWXMH-KRWDZBQOSA-N	500.650	3.654	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(Br)cc2)o1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	514375791	VYPKXMKUXBYSBD-QGZVFWFLSA-N	514.467	3.940	0	20	KHAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3nc4cc5c(cc4s3)OCCO5)c12	514384386	OPQYTWSUUVKMLQ-CQSZACIVSA-N	525.612	3.610	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1C	514385843	WMXJMNSQHOCWSD-XMMPIXPASA-N	588.756	3.935	0	20	KHAD	
COCCCn1c(SCC(=O)NC(=O)N[C@H](C)COC)nc2scc(-c3ccccc3Cl)c2c1=O	514403101	ICEGJJTUXOKDOH-CQSZACIVSA-N	539.079	3.768	0	20	KHAD	
CCn1c(CSc2nnc(C)n2-c2ccccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514405688	YGJLBXIOIYXJIR-UHFFFAOYSA-N	512.661	3.567	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)CC1	514292315	LZNAUXSGHPTVKE-FUHWJXTLSA-N	533.716	3.798	0	20	KHAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)N3CCN(c4ccccc4OCC)CC3)nc(=O)c2c1C	514297635	VYMBKVDYSZYMPT-UHFFFAOYSA-N	544.699	3.841	0	20	KHAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)CC1	514300711	RCSQXTKYQNCFLP-DEOSSOPVSA-N	566.703	3.701	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)n2[C@@H](C)COC)c1	514375094	KPVVOLOXTBBZRC-URXFXBBRSA-N	641.882	3.624	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)c1	514375829	WNNUVTIGNAFZAZ-UHFFFAOYSA-N	576.741	3.982	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)CC2)cc1	514377549	ZLZOZCWTRSFUCV-UHFFFAOYSA-N	538.695	3.943	0	20	KHAD	
COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[C@@H]2c2ccccc2OC)cc1	514378811	XWIBETOUIWNKQT-RNAHPLFWSA-N	609.701	3.856	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(Br)cc3)CC2)c(C(=O)OC)c1C	514378888	YSVQOMXNLSKQPM-AWEZNQCLSA-N	587.514	3.670	0	20	KHAD	
COc1ccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1OC	514383140	CPGFNLABODNSGT-HXUWFJFHSA-N	501.649	3.521	0	20	KHAD	
CCOc1ccccc1NC(=O)[C@H](C)Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC	514388284	MYZAHVHGYYQHNT-KRWDZBQOSA-N	518.661	3.595	0	20	KHAD	
CS(=O)(=O)NCCc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)cc1	514389507	HXPZIXRTWJAKFP-LJQANCHMSA-N	561.751	3.583	0	20	KHAD	
C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(=O)N1CCN(c2ccccc2O)CC1	514404741	KUQKSYVPVBXNIG-FQEVSTJZSA-N	524.666	3.927	0	20	KHAD	
CCCn1c(SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCC3	514404930	OHHWLBJOYWQDQD-OAHLLOKOSA-N	537.754	3.726	0	20	KHAD	
O=C(O)c1cc(OCC(COc2cc(C(=O)O)cc(C(=O)O)c2)(COc2cc(C(=O)O)cc(C(=O)O)c2)COc2cc(C(=O)O)cc(C(=O)O)c2)cc(C(=O)O)c1	642881615	XLWGNTLMUMSPLO-UHFFFAOYSA-N	792.611	3.874	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O	514300204	VAGSDRQNQUFHHW-UHFFFAOYSA-N	521.945	3.733	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCCC2)c(O)nc1=O	514376502	NGVAAJBNEVHAQM-UHFFFAOYSA-N	647.843	3.760	0	20	KHAD	
CCOc1ccc([C@@H](CNC(=O)CCCN2C(=O)NC(C)(C)C2=O)c2c[nH]c3ccccc23)cc1OC	514389840	OQOKDEHWWNMMKZ-HXUWFJFHSA-N	506.603	3.934	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)c1	514404707	JLIGGVALYUZDGB-UHFFFAOYSA-N	581.742	3.528	0	20	KHAD	
CCCn1c(S[C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)nc2cc(S(N)(=O)=O)ccc21	514298171	WEHAWMLPFMGMJR-GFCCVEGCSA-N	535.673	3.730	0	20	KHAD	
CCCCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)nnc12	514299097	DIRUCGFAGWFPBN-UHFFFAOYSA-N	539.683	3.922	0	20	KHAD	
CN1CCC2(CC1)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1O2	514382502	NKEYKRFDBVQYCB-IBGZPJMESA-N	531.984	3.742	0	20	KHAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1	514382831	WOLJRCATGHKCJB-INIZCTEOSA-N	563.602	3.885	0	20	KHAD	
Cc1nc(N)sc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3ccc(Cl)cc3nn1)CC2	1815141751	JGMDKHAQNMZTKC-GFCCVEGCSA-N	500.009	3.626	0	20	KHAD	
Cn1nccc1-c1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccnn4)sc3C2)sc1Cl	1820399361	CMYSVKHYTJNABK-NSHDSACASA-N	500.009	3.588	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2CC)c1	514291159	CXEJHBPJKYLZIA-UHFFFAOYSA-N	648.852	3.525	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)n1CCN1CCOCC1)N(C)C	514292582	LYRXDUCRYBXGSE-OXJNMPFZSA-N	529.538	3.899	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)NCC(=O)Nc3c(C)cccc3C)o2)c1	514293820	WGVMCJCTBASAIC-SFHVURJKSA-N	545.687	3.619	0	20	KHAD	
CS(=O)(=O)Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OCC(F)(F)F)cc1	514296867	RBGNRGPNUNZDTO-UHFFFAOYSA-N	548.605	3.989	0	20	KHAD	
CC1CCN(c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)n2C[C@H]2CCCO2)CC1	514301973	KBZGIPQLEJGHIA-JOCHJYFZSA-N	562.762	3.599	0	20	KHAD	
CCCCN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)[C@H]1c1ccccc1OC	514302982	HVNNAGCIKOVAHX-NEKDWFFYSA-N	537.657	3.777	0	20	KHAD	
CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)c1C	514375042	KJOITIGUWSFBDQ-UHFFFAOYSA-N	520.633	3.864	0	20	KHAD	
O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	514383743	JFEAHECLZRLHIU-REWPJTCUSA-N	520.424	3.954	0	20	KHAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O	514388227	RHTAZLHWECFTMB-UHFFFAOYSA-N	586.571	3.874	0	20	KHAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nc(C3CC3)nn2-c2ccccc2)CC1	514391820	OZOFDHWXWCMWIV-UHFFFAOYSA-N	504.660	3.637	0	20	KHAD	
COCCCn1c(SCC(=O)c2ccc(CCNS(C)(=O)=O)s2)nnc1-c1ccccc1Cl	514392115	RBQVDKRQQOGIRP-UHFFFAOYSA-N	529.109	3.763	0	20	KHAD	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1	514403373	UGVDAMBZGIXEIA-UHFFFAOYSA-N	525.052	3.826	0	20	KHAD	
C=CC(=O)N1CCC(c2ccc(C(N)=O)c(Nc3ccc(C(=O)N4CCN(C(=O)CCCCNC(=O)OC(C)(C)C)CC4)cc3)n2)CC1	958529373	KXXNXHFICNITLX-UHFFFAOYSA-N	661.804	3.796	0	20	KHAD	
CNc1nsnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnc4ccc(Cl)cc4c3)sc2C1	1823989317	ORRDSSDHHNGZMY-CYBMUJFWSA-N	500.009	3.778	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2ccc3oc(C)nc3c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514300235	MGFGTMIPOVHPDP-UHFFFAOYSA-N	525.631	3.878	0	20	KHAD	
Cc1cc(Cl)ccc1NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514382385	MCHVSYHPALDKTB-UHFFFAOYSA-N	521.945	3.661	0	20	KHAD	
O=C(Cc1ccc(O)cn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3c(Cl)cncc3s1)CC2	1827050597	GCOJVYAVVSWXEK-GFCCVEGCSA-N	500.005	3.975	0	20	KHAD	
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1	514296514	RRATXTMSZKLWPV-SFTDATJTSA-N	568.696	3.628	0	20	KHAD	
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1nnc([C@H](CC)N(C)C)n1CCN1CCOCC1	514375724	UPQYMQXZRLPINE-IBGZPJMESA-N	576.745	3.852	0	20	KHAD	
COC(=O)c1ccc(OC[C@@H](O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)c(OC)c1	514388349	XGFVHBULPZCRDP-LJQANCHMSA-N	516.616	3.539	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1)N(Cc1ccco1)CC(F)(F)F	514390785	CBWXYCXHMUIVEQ-UHFFFAOYSA-N	527.544	3.693	0	20	KHAD	
C/C=C\c1ccc(OC[C@H](O)CSc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)c(OC)c1	514400907	DQCKGLPPFLQVAG-XXGSHBOYSA-N	528.650	3.990	0	20	KHAD	
CC[C@@H](C)n1c(SCC(=O)N2C[C@H](C)O[C@H](C)C2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514291538	GCEVCGKEMKMIHY-QRVBRYPASA-N	523.725	3.675	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2cccs2)n1CC)c1c(O)nc(=O)n(CCCC)c1N	514404532	GRVUJWMKSBWSFH-UHFFFAOYSA-N	505.670	3.597	0	20	KHAD	
CC1CCN(c2nnc(S[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)n2C2CC2)CC1	514404728	KGDJHYHJNLAGRQ-KRWDZBQOSA-N	506.698	3.655	0	20	KHAD	
CCn1c(S[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)nc2scc(-c3cccs3)c2c1=O	514404974	OZJMFYJRJXCZPP-CXAGYDPISA-N	511.716	3.626	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1	514298624	CTGAYCRJUUSCRL-UHFFFAOYSA-N	569.753	3.821	0	20	KHAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nnc(-c3cc4c(s3)CC[C@@H](CC)C4)n2C)c(O)nc1=O	514386164	GHJHLZRGWLXKDD-OAHLLOKOSA-N	545.735	3.848	0	20	KHAD	
CCNC(=O)c1cccc(NC(=O)CN(CCCOC)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1	514393530	DORZZCGVWKSICO-UHFFFAOYSA-N	535.972	3.774	0	20	KHAD	
COc1cccc(-n2c(S[C@H](C)C(=O)N3CCC(C(N)=O)CC3)nc3sc4c(c3c2=O)CCCCC4)c1	514395160	DNLSIAUUCGHTKB-MRXNPFEDSA-N	540.711	3.929	0	20	KHAD	
COCCCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514374634	FDRCRGPVPWOIGG-UHFFFAOYSA-N	607.737	3.664	0	20	KHAD	
CCc1ccccc1NC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1CCN(C(C)C)C(C)C	514386621	VUQATKXVTPTXJJ-UHFFFAOYSA-N	523.703	3.925	0	20	KHAD	
O=C1CC(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cnc(Cl)s2)CC3)=Cc2ccccc2N1	1821188418	YSGXDPBFWKQSRG-ZDUSSCGKSA-N	500.005	3.905	0	20	KHAD	
O=C(Cc1csc(-c2ccccc2)n1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514291668	IKMXMUZATUTTPU-UHFFFAOYSA-N	512.657	3.612	0	20	KHAD	
Cn1c(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514377519	YURSDXUHDSRYJC-UHFFFAOYSA-N	530.956	3.838	0	20	KHAD	
CCC(C)(C)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1	514386034	ZLWXSVANXDMOGL-UHFFFAOYSA-N	561.705	3.550	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(F)ccc2Br)c1	514387745	PUMZTYCKZBRRCW-UHFFFAOYSA-N	514.417	3.708	0	20	KHAD	
CC(=O)N(c1nc(CSc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)cs1)c1ccc(C)cc1C	514394792	SSSTWETUZDZDFU-IBGZPJMESA-N	514.677	3.925	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)CC1	514293971	YJGVYYVMZOPPGV-UHFFFAOYSA-N	537.633	3.748	0	20	KHAD	
O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2	514375009	JQOWEONMGYKPBG-UHFFFAOYSA-N	522.631	3.524	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)n2C)c1	514376108	BUEFFHIVFQPWPC-OEMYIYORSA-N	505.710	3.546	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c1	514379537	CSFBGBUHRPIXDU-WOJBJXKFSA-N	567.730	3.555	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(-c1ccc(OCC(=O)Nc3ccccc3)c(OCC)c1)n2CCOC	514381455	FVUSEGSSHCPWBF-UHFFFAOYSA-N	535.601	3.828	0	20	KHAD	
CNS(=O)(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)ccc1C	514382001	DCIIKZKBOVQDLR-UHFFFAOYSA-N	554.012	3.615	0	20	KHAD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2	514395696	QOTHXPBDSQAMQA-SFHVURJKSA-N	596.735	3.638	0	20	KHAD	
O=C(CSc1nc2ccccc2c(=O)n1C1CCCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514291617	HLKPXOJFRYNXRK-UHFFFAOYSA-N	542.683	3.653	0	20	KHAD	
O=C(CN1CCN(C(=O)CSCc2nc(O)c3c4c(sc3n2)CCC4)CC1)Nc1ccc(OC(F)(F)F)cc1	514301317	ZWDCLJSOZFFNRQ-UHFFFAOYSA-N	581.642	3.800	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CC[C@@H](C)C4)CC1	514375273	OKUYUTLBOMPNEV-AEFFLSMTSA-N	533.716	3.656	0	20	KHAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)c(O)nc1=O	514379786	UTEYRXSWDYSIPH-LJQANCHMSA-N	533.695	3.587	0	20	KHAD	
COc1cc2ncn(CCCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3OC(C)C)c(=O)c2cc1OC	514390564	ORHARGCWQXVWBQ-UHFFFAOYSA-N	572.684	3.794	0	20	KHAD	
COCCCn1c(O)nnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1	514293133	SHVBZDAPVKSEPB-KRWDZBQOSA-N	517.633	3.569	0	20	KHAD	
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O	514295956	HGTRFNJDNJAQPW-RTBURBONSA-N	520.007	3.653	0	20	KHAD	
O=C(CSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1)Nc1ccnn1C1CCCC1	514301144	XGMUUQINTIWLMM-UHFFFAOYSA-N	540.715	3.631	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1	514401770	DJNGQQLRCUZFEK-UHFFFAOYSA-N	528.675	3.694	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)nc2cc(Cl)ccc2c1=O	514404274	AQCJSGNUHLQLLQ-WBVHZDCISA-N	504.008	3.523	0	20	KHAD	
COc1ccc(F)cc1CN1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)CC1	514405797	ZJVUQLCMFYGJDX-HSZRJFAPSA-N	543.640	3.847	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1	514290990	AUQKWOCVPMXVMV-UHFFFAOYSA-N	556.685	3.919	0	20	KHAD	
Cc1ccccc1CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1	514383079	YPSSPTDUYYDUPR-UHFFFAOYSA-N	526.522	3.564	0	20	KHAD	
COc1cc(C)c(CN2CCN(C(=O)CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)CC2)cc1OC	514383528	GDMGOWJQERLGTD-NRFANRHFSA-N	557.742	3.948	0	20	KHAD	
O=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1	603773523	KYQWBXNRDCCYIJ-UHFFFAOYSA-N	500.005	3.606	0	20	KHAD	
O=C1CCCC[C@@H]1Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccccc1	514291926	IODGINWNRUNNDN-QHCPKHFHSA-N	512.657	3.618	0	20	KHAD	
CCCCN1C(=O)CC[C@@H](C(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)[C@H]1c1ccccc1OC	514302983	HVNNAGCIKOVAHX-QDPGVEIFSA-N	537.657	3.777	0	20	KHAD	
C[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1-c1ccccc1)N1CCCCC1	514381846	UZDHAJIUFNJXQI-ZWKOTPCHSA-N	514.677	3.581	0	20	KHAD	
O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCC[C@H](c2nnc3n2CCCCC3)C1	514392119	RCHPCQXMHWWSEK-QFIPXVFZSA-N	505.644	3.776	0	20	KHAD	
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)N2CCCCC2)cc1	514293163	QQTVPDKABQPLSM-AREMUKBSSA-N	557.713	3.601	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)c1	514303772	ZACOFWGZVHJXDE-UHFFFAOYSA-N	531.660	3.800	0	20	KHAD	
C[C@H](NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1)[C@@H]1C[C@H]2CC[C@H]1C2	514376759	QVSRBMYFHIDVHF-UKDJSQQHSA-N	585.752	3.640	0	20	KHAD	
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1	514385034	XQFXBTWVJDILQN-FQEVSTJZSA-N	559.714	3.650	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCc3ccccc3OC(F)(F)F)c12	514390774	BXVAVRRSVUZFOM-INIZCTEOSA-N	508.522	3.805	0	20	KHAD	
Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)c(C)n1CCc1ccccc1	514393202	RFNOVJYLKQDBLI-QHCPKHFHSA-N	509.676	3.930	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3snnc3C3CC3)sc2C1)c1cn2ccc(Cl)cc2n1	1817835319	NNMUTUJTSUMZQB-LBPRGKRZSA-N	500.009	3.713	0	20	KHAD	
CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)CC1	514298897	AIYFRNJZUQHOGT-INIZCTEOSA-N	501.454	3.737	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC(C)C)c3ccccc3)CC2)c(C(=O)OC)c1C	514301215	XXTCGCFSUFVSCS-FQEVSTJZSA-N	550.699	3.934	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2[C@@H](C)COC)c1	514374100	IFRVVNODUUHMTO-SFHVURJKSA-N	577.729	3.931	0	20	KHAD	
CC(=O)c1ccc(OCCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1	514380424	MRWNVPVQEHVGAM-UHFFFAOYSA-N	529.659	3.698	0	20	KHAD	
COCCn1c(S[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)nc2sc3c(c2c1=O)CCCC3	514294301	WCJXDDWDVGNINT-KRWDZBQOSA-N	528.700	3.836	0	20	KHAD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1	514299692	NXYAKDACZFYHOG-UHFFFAOYSA-N	503.518	3.732	0	20	KHAD	
COc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1S(=O)(=O)N1CCCCCC1	514300139	UCDNSSIZHBUWLE-UHFFFAOYSA-N	582.645	3.675	0	20	KHAD	
CCCCn1c(SCc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21	514374960	IRWWWNWISSQLJV-UHFFFAOYSA-N	549.700	3.772	0	20	KHAD	
CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1	514387919	NSLDTNKAZWRMGT-OAQYLSRUSA-N	559.689	3.585	0	20	KHAD	
Cc1ccc(-c2csc3nc(S[C@@H](C(=O)NC(N)=O)C(C)C)n(C[C@@H]4CCCO4)c(=O)c23)cc1	514292106	KUWUIDCBSFKWFY-QFBILLFUSA-N	500.646	3.924	0	20	KHAD	
Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)no1	514293156	QLLLIDJAWHRHLR-LJQANCHMSA-N	549.719	3.847	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514377737	HFBCIDPIGCDXKR-IBGZPJMESA-N	619.684	3.772	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c1	514387691	IQHMWWGFHGJIOA-UHFFFAOYSA-N	519.712	3.594	0	20	KHAD	
CCOc1ccc([C@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)c2c[nH]c3ccccc23)cc1OC	514402148	GOOYXWLUGGNXCI-FQEVSTJZSA-N	504.587	3.688	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nnc(-c2cccc(C)c2)n1-c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1	514403262	RWWDZXMOCUWDMK-GHTZIAJQSA-N	514.673	3.768	0	20	KHAD	
O=C(CSc1nccn1-c1ccc(Cl)cc1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O	802642741	DUEPNWQWJJCJNP-LDADJPATSA-N	500.005	3.866	0	20	KHAD	
COc1cccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1O	514296363	LVKVPWKJCMTQQN-UHFFFAOYSA-N	512.428	3.585	0	20	KHAD	
CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1nnc2ccccn12	514299724	PNAFWWHZFOMZIM-QHCPKHFHSA-N	527.716	3.619	0	20	KHAD	
Cc1ccc(-c2nc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)sc2C)cc1	514299744	QGURIBPRBAWDOF-UHFFFAOYSA-N	542.683	3.537	0	20	KHAD	
CCOc1ccccc1Nc1nnc(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)s1	514302221	MXQXPAVNTHKRFK-UHFFFAOYSA-N	547.707	3.962	0	20	KHAD	
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1OC	514377964	ADXOAHORQKMXGL-UHFFFAOYSA-N	553.353	3.758	0	20	KHAD	
NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)CCCCc3nc4ccccc4s3)CC2)cc1	514385676	QLDGLBPQNKCGGP-UHFFFAOYSA-N	500.646	3.534	0	20	KHAD	
C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	514387066	AUOVMWWMAPIRTN-GHMZBOCLSA-N	500.574	3.568	0	20	KHAD	
O=C(CN1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1)Nc1ccccc1	514394047	GVPZJBNNJJWUSM-UHFFFAOYSA-N	509.960	3.753	0	20	KHAD	
CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1	514405151	QZHUVSVYCMIDCU-HXUWFJFHSA-N	534.524	3.871	0	20	KHAD	
CC(C)(C)OC(=O)[C@]1(Cn2ccnc2)C[C@@H](C(=O)O)[C@@H](c2cncs2)N1C(=O)OCc1ccccc1	407986877	OHSCCJGQFCHGBV-KNOQFWTLSA-N	512.588	3.905	0	20	KHAD	
CN(C)CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514300370	MLUSWCVTEPFRGY-UHFFFAOYSA-N	514.511	3.502	0	20	KHAD	
CCCNC(=O)CSc1nnc(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)s1	514302538	GISVRHUAMPPVRY-UHFFFAOYSA-N	500.693	3.614	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1	514385440	HWEMJMNLOYAACT-UHFFFAOYSA-N	524.481	3.818	0	20	KHAD	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1	514391881	SAOHZFBKPWUTCG-UHFFFAOYSA-N	543.665	3.574	0	20	KHAD	
CCCCSc1nnc(S[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)s1	514402481	JYCOEFHRLGAXEP-HNNXBMFYSA-N	516.736	3.879	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)c1	514294401	YUSGVESYMBUFGS-KRWDZBQOSA-N	564.709	3.799	0	20	KHAD	
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	514383920	NQXUCZAQQOZWKX-NRFANRHFSA-N	602.758	3.710	0	20	KHAD	
CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1	514386925	INRXMXDGGUFRNV-HXUWFJFHSA-N	520.076	3.889	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)N(C)Cc1ccccc1N1CCCC1)c1c(O)nc(=O)n(CCCC)c1N	514387680	IGUSIBZFNKDKAK-UHFFFAOYSA-N	540.709	3.893	0	20	KHAD	
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1	514389017	XKGRRKCRWHBCFV-XMMPIXPASA-N	514.464	3.799	0	20	KHAD	
CC(C)OCCCn1c(SCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)nc2cc(Cl)ccc2c1=O	514390796	VTUGVCNXDAQACF-MRXNPFEDSA-N	565.117	3.582	0	20	KHAD	
CCC[C@@H](CNC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)n1C)c1ccc(Cl)cc1Cl	514391878	RYACYQRCZYMZPP-UONOGXRCSA-N	505.493	3.816	0	20	KHAD	
C[C@@H]1CN(C(C)(C)CNC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)C[C@@H](C)O1	514392943	IIGLSZUFAXNRDT-HZPDHXFCSA-N	595.398	3.616	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)n2[C@@H](C)COC)c1	514292391	KQHSBHDYZMNRIV-IBGZPJMESA-N	525.741	3.921	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)Nc3cc(OC)ccc3OC)nnc12	514375874	YBZOGPXGKPVTJX-MRXNPFEDSA-N	511.604	3.607	0	20	KHAD	
Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1	514391648	MSAVJUWCJSCNFU-IBGZPJMESA-N	518.540	3.867	0	20	KHAD	
CCCN(C(=O)[C@@H](C)Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)[C@H]1CCS(=O)(=O)C1	514395902	WQXIMYZOGBOJBG-WBVHZDCISA-N	500.086	3.612	0	20	KHAD	
CCn1c(SCc2cc(=O)n3c(C)csc3n2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514293878	XABCHKJMFGQWIJ-UHFFFAOYSA-N	503.675	3.901	0	20	KHAD	
CCCOc1c(Br)cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1OC	514296719	UDFSVZCBNFGNIB-UHFFFAOYSA-N	501.399	3.758	0	20	KHAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3ccc(OC)cc3)CC2)cc1	514297516	XNPCASUVCOILJK-DEOSSOPVSA-N	500.617	3.636	0	20	KHAD	
COc1ccc(C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	514388093	ORZMAYNWPOUGGM-KDURUIRLSA-N	542.658	3.876	0	20	KHAD	
CC(C)[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1	514403165	WIAFHCIVQSWWIY-AUSIDOKSSA-N	520.080	3.793	0	20	KHAD	
Cn1nccc1-c1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cnccn2)CC3)sc1Cl	1816060860	IHEQQGRWAPFXIF-NSHDSACASA-N	500.009	3.588	0	20	KHAD	
O=S(=O)(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)c1ccc2nc(O)oc2c1	514300478	WCJONCLGFOWCRS-UHFFFAOYSA-N	549.549	3.840	0	20	KHAD	
CCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1	514379374	RCCMLNGTVXOKBN-UHFFFAOYSA-N	504.605	3.685	0	20	KHAD	
CCCN(C(=O)[C@H](C)Sc1nnc(-c2cc(OCC)c(OCC)c(OCC)c2)o1)[C@H]1CCS(=O)(=O)C1	514395278	GVTBEMOOOURFRD-WMZOPIPTSA-N	541.692	3.839	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(-c3ccccc3OC)n2CCc2ccccc2)c(O)nc1=O	514291910	IMRJHPCDNSJKPU-UHFFFAOYSA-N	607.737	3.613	0	20	KHAD	
CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@H](CCSC)NS(=O)(=O)c1cc(Cl)ccc1Cl	514300525	NNBLJDICUUDMGX-SFHVURJKSA-N	548.514	3.889	0	20	KHAD	
CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C)c1c(O)nc(=O)n(CC(C)C)c1N	514374513	DSPHZGKDXOWGMM-UHFFFAOYSA-N	542.706	3.869	0	20	KHAD	
CC[C@H](c1nnc(S[C@@H](C)C(=O)c2ccc(Br)cc2)n1CCN1CCOCC1)N(C)C	514375960	XSFQHUCTZPFSKI-QFBILLFUSA-N	510.502	3.749	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cccc(C(F)(F)F)c1	514378621	FXUKMJGHBOKTTE-UHFFFAOYSA-N	502.511	3.531	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc(O)c3c(C[C@@H](C)CC)c(C)sc3n2)c(O)nc1=O	514386714	ZLCJDNLHKIECIN-AWEZNQCLSA-N	564.734	3.710	0	20	KHAD	
CCOc1ccc(-n2ncc(C(=O)N3CCN(S(=O)(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)c2C)nn1	514394892	VTRVPEFFQPAHFL-UHFFFAOYSA-N	592.522	3.554	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395003	AIDKMIHFGBWQMZ-INIZCTEOSA-N	506.625	3.644	0	20	KHAD	
O=C(CN1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)CC1)N1CCCCC1	514401769	DGSBGBYLKIFOHZ-UHFFFAOYSA-N	517.474	3.680	0	20	KHAD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2sccn12)c1cc2c(Cl)cncc2s1	1799096207	WGESKHLWEKJICT-CLLJXQQHSA-N	500.005	3.585	0	20	KHAD	
O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1	13619810	GHDXEFBCFHEDFJ-SVBPBHIXSA-N	508.615	3.791	0	20	KHAD	
CCOc1ccc(CCn2c(S[C@@H](C)C(=O)NC(N)=O)nnc2-c2ccc(OC)cc2)cc1OCC	514291050	CMEAPOBXZXGLLW-INIZCTEOSA-N	513.620	3.669	0	20	KHAD	
COc1ccc(-c2nnc(SCC(=O)NCCCN3CCCC3=O)n2C2CCCCC2)cc1OC	514291761	IAYQLJLEQVPFMH-UHFFFAOYSA-N	501.653	3.688	0	20	KHAD	
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1	514296509	RRATXTMSZKLWPV-NHCUHLMSSA-N	568.696	3.628	0	20	KHAD	
COc1ccccc1-c1nnc(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1-c1ccc(Cl)cc1	514298903	AXZPCSQVOIPMFG-LEWJYISDSA-N	577.128	3.883	0	20	KHAD	
CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)o1	514300694	QKIASNBWGHVMOD-IAGOWNOFSA-N	532.644	3.664	0	20	KHAD	
CCN(CC)[C@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccccc1Cl	514300949	UKULSEXNNCOJQM-HSZRJFAPSA-N	520.099	3.609	0	20	KHAD	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CS(=O)(=O)Cc3ccc(Cl)s3)cc2)C1	514381435	FJWQWGYNTMYUOY-GASCZTMLSA-N	505.083	3.622	0	20	KHAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)o1	514404543	HGFXVPJREBUMQY-OAQYLSRUSA-N	515.563	3.546	0	20	KHAD	
Cc1cccc(-n2c(SCC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2)c1	514300119	KHAWBGJLFAMNAV-DHIUTWEWSA-N	526.684	3.530	0	20	KHAD	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)CC2)c1C	514379481	ATHZTNIVYRGMNP-QHCPKHFHSA-N	519.733	3.572	0	20	KHAD	
C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C(=O)NCCc1ccccc1	514388812	RZOIEKVLFZDLTD-GOSISDBHSA-N	500.646	3.751	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCc1ccc(-n3cccn3)cc1)n2CC	514393419	AHKTVUBWUBUANU-UHFFFAOYSA-N	522.675	3.564	0	20	KHAD	
CCCn1c(CCC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514393903	ATVUXXMFVOCPKO-UHFFFAOYSA-N	582.771	3.629	0	20	KHAD	
O=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514299019	CIOLLZYFHYBHFM-VQTJNVASSA-N	585.729	3.994	0	20	KHAD	
Cc1ccc(/C=C\c2nc(SCC(=O)N3CCc4cc(S(=O)(=O)N5CCCCC5)ccc43)n[nH]2)o1	514302738	ROUDNRJSELELGC-YFHOEESVSA-N	513.645	3.733	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1	514377112	XOEWTGQRTNKUBT-CTNGQTDRSA-N	513.685	3.770	0	20	KHAD	
C[C@@H]1CN(Cc2csc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)n2)C[C@@H](C)O1	514393832	MGHKGIOJOHWHPC-HZPDHXFCSA-N	546.637	3.811	0	20	KHAD	
N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12	1857791293	AEWOSKYFHUUYCA-UGWAFECDSA-N	758.080	3.693	0	20	KHAD	
CC(=O)OCOC(=O)CCc1cc2c(cc1OC(C)=O)Oc1cc(OC(C)=O)c(CCC(=O)OCOC(C)=O)cc1C21OC(=O)c2cc(C(=O)OCOC(C)=O)ccc21	150339426	HUXWWWYLCFHVOV-UHFFFAOYSA-N	820.709	3.775	0	20	KHAD	
CCOCCCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2cc(Cl)ccc2c1=O	514295394	ASYVALNXNYKKRG-GOSISDBHSA-N	595.143	3.617	0	20	KHAD	
COc1ccccc1-c1nnc(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1-c1ccc(Cl)cc1	514298906	AXZPCSQVOIPMFG-NHCUHLMSSA-N	577.128	3.883	0	20	KHAD	
C[C@H]1Cc2cc(C(=O)N(CCC3=CCCCC3)c3c(O)nc(=O)n(Cc4ccccc4)c3N)ccc2N1S(C)(=O)=O	514383957	IDHVWQXVNIRFCS-FQEVSTJZSA-N	577.707	3.827	0	20	KHAD	
CCCN(CC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1)CC(=O)Nc1ccccc1OC	514388527	ZWGIAJJCJXTKCU-UHFFFAOYSA-N	546.690	3.558	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3cc(Cl)cc4nn[nH]c34)sc2C1)c1scnc1C1CC1	1821435374	FYPPETOVLXBSBU-NSHDSACASA-N	500.009	3.941	0	20	KHAD	
CCc1c(C)sc2nc(S[C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)n(C[C@@H]3CCCO3)c(=O)c12	514294408	YZMFJVZWPRQVFX-MSOLQXFVSA-N	544.699	3.566	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)NC[C@H](c1ccccc1Cl)N(C)C)c1c(O)nc(=O)n(CCCC)c1N	514297741	ZSJKMBUWFOQOKW-OAQYLSRUSA-N	549.116	3.707	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)sc(C(=O)NC)c1C	514374619	DCSFBKDGJHKYHA-UHFFFAOYSA-N	570.741	3.949	0	20	KHAD	
O=C(CSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514384370	NXZWKPWTVGTHED-PMACEKPBSA-N	559.735	3.611	0	20	KHAD	
COc1ccc(C[C@H](NC(=O)CSCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c2ccc(OC)cc2)cc1	514385112	YYPIYDDRUOLXCZ-MHZLTWQESA-N	643.784	3.505	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N3CCN([C@H](C(=O)NCc4ccccc4)c4ccccc4)CC3)c12	514390305	FPOGWHXHLUNWST-DHIFEGFHSA-N	626.783	3.792	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CSc1n[nH]c(Cc2cccs2)n1	514402200	LMBSDWZDUPTGOO-UHFFFAOYSA-N	521.690	3.761	0	20	KHAD	
O=C1CSc2ncc(C(=O)N3CC4(CCCN4C(=O)c4cc5c(Cl)cncc5s4)C3)cc2N1	1843123459	MBVWACLJHGHGOL-UHFFFAOYSA-N	500.005	3.520	0	20	KHAD	
CC(C)CN(C(=O)COc1c(I)cc(Cl)c2cccnc12)[C@H]1CCS(=O)(=O)C1	514293855	ZCSBKEWARVGGEV-ZDUSSCGKSA-N	536.819	3.543	0	20	KHAD	
COc1cc(CNC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)cc(OC)c1OC	514386178	GSCHAINIZDKUKN-QGZVFWFLSA-N	559.710	3.950	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CSc1nnc(-c3ccc(F)cc3)n1C[C@H]1CCCO1)n2C	514386424	OPOIHQNODIYCRJ-QGZVFWFLSA-N	513.599	3.505	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1C(C)C)[C@@H]1CCS(=O)(=O)C1	514388982	WTVAMHVAWAFCNX-UYAOXDASSA-N	513.689	3.969	0	20	KHAD	
O=C(NCCc1cc(Cl)c2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514392594	ZECKYFVEUSFAIU-UHFFFAOYSA-N	532.968	3.890	0	20	KHAD	
COc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1cc(C)ccc1Br	514403344	TUAGGEJYYOVXJS-IAGOWNOFSA-N	564.458	3.681	0	20	KHAD	
CCn1c(CCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514291199	ASCRQYBLDKGXHO-UHFFFAOYSA-N	542.992	3.903	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(-c3cccnc3)n2-c2c(CC)cccc2CC)c(O)nc1=O	514292344	MHRNWKOUXLBOEC-UHFFFAOYSA-N	606.753	3.870	0	20	KHAD	
C[C@@H](Cc1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1ccccc1	514376454	MINOUODUHZWFHB-ZWKOTPCHSA-N	516.645	3.556	0	20	KHAD	
Cc1ccc(C)c(OCc2nnc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)o2)c1	514386285	JELIPHBGUOTTJE-UHFFFAOYSA-N	543.092	3.606	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)n1-c1ccc(OC)cc1)N(C)C	514389381	FKSSUZVPYQSIMU-DEOSSOPVSA-N	508.692	3.725	0	20	KHAD	
COCCCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](c3ccc(OC)cc3)C(C)C)nnc12	514402594	CWWFPLDXVMHYGY-HSZRJFAPSA-N	509.632	3.695	0	20	KHAD	
CCCCCn1c(SCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)nc2cc(Cl)ccc2c1=O	514405779	ZDGKGFVAIVJXJF-KRWDZBQOSA-N	538.095	3.835	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nc(O)c3c4c(sc3n2)CCCC4)sc(C(=O)OC)c1CC(=O)OC	514384025	JTYCKGZCSXGABZ-UHFFFAOYSA-N	579.678	3.747	0	20	KHAD	
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O	514389912	RCJBHRZIYMCEGL-UHFFFAOYSA-N	535.022	3.589	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1	514403428	VHEKIIYNGMUMEG-HKUYNNGSSA-N	502.637	3.898	0	20	KHAD	
CC(C)[C@H](Sc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)C(=O)N[C@@H]1CCS(=O)(=O)C1	514404230	CRKBEDAFRMWMOJ-QRWLVFNGSA-N	523.746	3.872	0	20	KHAD	
COc1cc2nc(S[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)C(C)C)n(CCC3=CCCCC3)c(=O)c2cc1OC	514302234	NFKHJGJERQFFTK-DVECYGJZSA-N	563.742	3.724	0	20	KHAD	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3c(C(=O)N4CCOCC4)oc4ccccc34)c2)C1	514302750	RXSWLFHGNDGLAF-RTBURBONSA-N	525.627	3.824	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@H](O)COc3ccc(F)cc3)n2[C@@H](C)COC)c1	514377256	PEJMNTVCSNAPRD-GHTZIAJQSA-N	552.694	3.854	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	514379923	FEPDNBJUQRNUSK-JOCHJYFZSA-N	575.131	3.842	0	20	KHAD	
CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1	514382939	CANXGUGGXYRDEJ-UKILVPOCSA-N	570.737	3.544	0	20	KHAD	
CCOc1ccc(OCCNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCO2)cc1	514385374	FWAMZLHOXGIKPX-QHCPKHFHSA-N	512.632	3.819	0	20	KHAD	
Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)CC2)c1	514401086	LMNXEKJQJCDRNG-UHFFFAOYSA-N	544.077	3.504	0	20	KHAD	
CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)nc(O)c12	514404359	DTSLLPNHFWOYDO-INIZCTEOSA-N	564.755	3.723	0	20	KHAD	
Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)o2)c1	514293605	WFCFOLJKRCQQOL-UHFFFAOYSA-N	587.724	3.617	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)C2CCN(S(=O)(=O)c3sc(C(=O)OC)c(C)c3C(=O)OC)CC2)c1	514376415	LGHICRAITXAMRZ-UHFFFAOYSA-N	698.886	3.690	0	20	KHAD	
COC(=O)c1ccc(-c2csc(NC(=O)[C@@H](CCSC)N3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)cc1	514387020	CNQSSVWSAMYUCJ-ZIFCJYIRSA-N	501.630	3.832	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(N2CCCC2)n1-c1ccc(C)cc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514400973	HIWBGJFHSINBHI-UHFFFAOYSA-N	588.738	3.994	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)c1	514401885	ATRZMTIXCYCPLQ-UHFFFAOYSA-N	536.720	3.599	0	20	KHAD	
CCOc1ccc(-n2c(S[C@@H](C)C(=O)N(CC)[C@H]3CCS(=O)(=O)C3)nnc2-c2cccc(OC)c2)cc1	514405205	RURICSNINOTALH-RXVVDRJESA-N	544.699	3.858	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514405534	XHGXIHGLIKFJKC-UXHICEINSA-N	551.090	3.527	0	20	KHAD	
CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC(C(=O)N2CCCCC2)CC1	514297387	VPVCQNYHRUWFHM-HXUWFJFHSA-N	536.547	3.645	0	20	KHAD	
CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1	514387300	GEPOBBNOAPAMAU-UHFFFAOYSA-N	534.476	3.531	0	20	KHAD	
CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)c2)CC1	514387423	GJCLNWIPWUWKIR-UHFFFAOYSA-N	534.682	3.657	0	20	KHAD	
CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1	514387918	NSLDTNKAZWRMGT-NRFANRHFSA-N	559.689	3.585	0	20	KHAD	
CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)cc2C[C@@H]1C	514392538	XPKHDGSKVQUVGZ-HNNXBMFYSA-N	512.053	3.613	0	20	KHAD	
CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1	514394681	YZHQSILBFDZHPJ-NRFANRHFSA-N	514.696	3.725	0	20	KHAD	
O=C(Cc1ccc(O)cn1)N[C@H]1CCc2nc(NC(=O)c3cc4c(Cl)cncc4s3)sc2C1	1815847260	VSLCRDSKQCSYES-LBPRGKRZSA-N	500.005	3.975	0	20	KHAD	
Cn1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4csc(-c5cccnc5)n4)sc3C2)c1Cl	1817368513	IXSSZZJWCYBGDJ-GFCCVEGCSA-N	500.009	3.588	0	20	KHAD	
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1	514293724	WYNIQRGWUQAZJV-QFBILLFUSA-N	538.066	3.925	0	20	KHAD	
CC(C)OCCCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2cc(Cl)ccc2c1=O	514374778	GWQBPEUQYVJIJG-UHFFFAOYSA-N	595.143	3.617	0	20	KHAD	
CCCCCN(C(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)c1c(O)nc(=O)n(CCCC)c1N	514376028	ZQHHFSARAVODRC-SFHVURJKSA-N	574.727	3.989	0	20	KHAD	
CCCOc1ccc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)cc1OC	514381746	QIAPADMWXQQVRK-HXUWFJFHSA-N	515.632	3.701	0	20	KHAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nnc(NC3CCCCC3)s2)CC1	514382493	NFVIBCFEACDQLY-UHFFFAOYSA-N	502.710	3.775	0	20	KHAD	
Cc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	514384262	MJRTZLOEZHQZHP-UHFFFAOYSA-N	594.347	3.963	0	20	KHAD	
COc1ccc(C(=O)N2CCC[C@@H](C(=O)NC[C@H](c3ccc(C)o3)N3CCOCC3)C2)c2ccccc12	514390242	CONDKHFQZZKTJC-PXDATVDWSA-N	505.615	3.792	0	20	KHAD	
CC(C)[C@@H](NC(=O)CSc1nc(CN2CCOCC2)nc2ccccc12)c1ccc2c(c1)OCCO2	514390986	FHIKALLJBGKXGX-AREMUKBSSA-N	508.644	3.839	0	20	KHAD	
CCN(CC)C(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)COC	514394736	RJJFGNFDJYBFRS-MSOLQXFVSA-N	511.714	3.532	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)N(C)Cc3ccccc3)n2C)c1	514402914	HCTGLIZIHJAHKI-SFHVURJKSA-N	501.678	3.652	0	20	KHAD	
Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1C	514291156	CWXYBOPFYHWPFW-HSZRJFAPSA-N	513.660	3.738	0	20	KHAD	
CCCCn1c(SCC(=O)N(C)Cc2cccc(OC)c2OC)nc2cc(S(=O)(=O)N(C)C)ccc21	514292306	LXGNADUASPRRBE-UHFFFAOYSA-N	534.704	3.855	0	20	KHAD	
CCCCSc1nnc(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)s1	514300516	NJDWMSIJVBKTKD-AWEZNQCLSA-N	502.709	3.571	0	20	KHAD	
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	514377616	CAJVWGHTWOYABS-UHFFFAOYSA-N	502.511	3.776	0	20	KHAD	
CC(C)[C@H](NC(=O)CSc1nc(CN2CCOCC2)nc2ccccc12)c1ccc2c(c1)OCCO2	514390987	FHIKALLJBGKXGX-SANMLTNESA-N	508.644	3.839	0	20	KHAD	
O=C(c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CCC[C@@H](C(=O)N2CCOCC2)C1	514393551	FBVGQSOIPNJFBL-QGZVFWFLSA-N	526.442	3.505	0	20	KHAD	
Cc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1S(=O)(=O)N1CCCCCC1	514384167	NIVQDJAAYISZTL-UHFFFAOYSA-N	595.688	3.773	0	20	KHAD	
Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)c(C)n1CCc1ccccc1	514393201	RFNOVJYLKQDBLI-HSZRJFAPSA-N	509.676	3.930	0	20	KHAD	
CCOCCCn1c(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)nc2ccc(Br)cc2c1=O	514402773	NCKNLIUOENAUSZ-LJQANCHMSA-N	586.574	3.636	0	20	KHAD	
COCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1	514405103	OYYJGMAMKAEWFL-INIZCTEOSA-N	559.497	3.647	0	20	KHAD	
O=C(CSc1ncn(-c2ccccc2)n1)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O	829212706	IJIUZTWSXBCLDI-LDADJPATSA-N	500.005	3.866	0	20	KHAD	
C[N+](C)=c1ccn(/C(C(=S)Nc2ccc3c(c2)OC(F)(F)O3)=C(/O)c2ccc3c(c2)OCO3)cc1	920397437	UYJDYBDAUDVLGW-UHFFFAOYSA-O	500.503	3.893	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)n2CC	514293637	WOEDHUXFYWHGJB-UHFFFAOYSA-N	559.135	3.874	0	20	KHAD	
CCC[C@@H]1NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(OC(F)F)c(OC)c2)C1=O	514376828	SJNUZPDGGGCDNL-HOCLYGCPSA-N	506.531	3.756	0	20	KHAD	
CC(C)CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514378694	VIUCDTHYTGAYQN-UHFFFAOYSA-N	581.739	3.793	0	20	KHAD	
CCCn1c(CCC(=O)NC[C@@H](c2ccccc2)N(C)C)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514380792	QLSPFEIEJAZPPB-VWLOTQADSA-N	511.692	3.583	0	20	KHAD	
COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)c1ccccc1	514388900	UZBAPJHGOHHLON-HTAPYJJXSA-N	500.646	3.581	0	20	KHAD	
O=C(CSCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1c(Cl)cccc1Cl	514391370	IFSPCOPECCESGR-UHFFFAOYSA-N	505.445	3.765	0	20	KHAD	
CCCc1noc(CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2[C@@H](C)COC)n1	514394007	FGFNGSPHMWRMOJ-INIZCTEOSA-N	508.670	3.811	0	20	KHAD	
CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(CCC(N)=O)n3C[C@@H]3CCCO3)ccc21	514394771	SHHMRZMPKPTQGY-SFHVURJKSA-N	506.632	3.734	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1C	514385842	WMXJMNSQHOCWSD-DEOSSOPVSA-N	588.756	3.935	0	20	KHAD	
C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21	514392314	UQJSSYDYYAVFEH-OAHLLOKOSA-N	531.560	3.947	0	20	KHAD	
Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)CC1	514302006	KPMIJLUHVBIJDL-HSZRJFAPSA-N	534.122	3.828	0	20	KHAD	
CCOc1cc(-c2nnc(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)o2)cc(OCC)c1OCC	514302248	NIRFYZFOCDLINQ-SFHVURJKSA-N	541.692	3.697	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	514377754	HZXCIXGVWJCMQC-PXDATVDWSA-N	533.647	3.538	0	20	KHAD	
CCCCn1c(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O	514384325	OFHZRJWFKMKGRJ-KRWDZBQOSA-N	505.687	3.566	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)n2C	514403847	RRXUYLFDLKMKED-CQSZACIVSA-N	517.059	3.785	0	20	KHAD	
Cn1c(CCC(=O)NC[C@H](c2ccccc2)N2CCCC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514291210	AZNRSCXEEDJNJQ-AREMUKBSSA-N	523.703	3.634	0	20	KHAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)c(O)nc1=O	514302081	ATQLNGVSUBSCHC-LJQANCHMSA-N	554.721	3.604	0	20	KHAD	
CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514375086	KMGZMKVVRDNIFY-DBXWQHBBSA-N	505.710	3.783	0	20	KHAD	
CC(C)CCn1c(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)nc2ccccc2c1=O	514375397	PNYLDLGJFIBUJJ-UHFFFAOYSA-N	542.706	3.724	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c(O)nc1=O	514395636	PHIPDWBKVSVTSY-MRXNPFEDSA-N	566.688	3.566	0	20	KHAD	
CSc1ncccc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(Cl)nc3n[nH]cc13)CC2	1820975348	FOOKUBZFCGGWRK-SNVBAGLBSA-N	500.009	3.724	0	20	KHAD	
COc1ccc(-c2nnc(S[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)C(C)C)n2C2CCCCC2)cc1OC	514304780	ZLMXHZJHMAYAAA-AVRDEDQJSA-N	536.720	3.888	0	20	KHAD	
CCC[C@@H]1NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(OC(F)F)c(OC)c2)C1=O	514376827	SJNUZPDGGGCDNL-GOEBONIOSA-N	506.531	3.756	0	20	KHAD	
O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	514386650	WVBKKCKFHQQFLU-UHFFFAOYSA-N	556.110	3.683	0	20	KHAD	
CCCCn1c(CCC(=O)N(CC)CC(=O)Nc2ccc(NC(C)=O)cc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514404998	PRBQMFWWVRCYCA-UHFFFAOYSA-N	596.754	3.999	0	20	KHAD	
CCOc1ccc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1	514296931	STSSPEOZRVFERP-SFHVURJKSA-N	505.662	3.877	0	20	KHAD	
CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F	514375445	QGDDEWVDHJAZQI-UHFFFAOYSA-N	526.629	3.737	0	20	KHAD	
CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	514387831	RVCWRTHDZVUUOW-LJQANCHMSA-N	588.535	3.999	0	20	KHAD	
CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	514390205	BGAINECRNOECPO-DEOSSOPVSA-N	569.705	3.846	0	20	KHAD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1	514395052	BIKNCGQJHGLYGY-MRXNPFEDSA-N	565.121	3.899	0	20	KHAD	
CCCCN(C)CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1	514295631	CQPGJMGMSSPFLB-UHFFFAOYSA-N	534.082	3.999	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1	514299719	PJCSWPQDWCRCGY-UHFFFAOYSA-N	501.527	3.705	0	20	KHAD	
CCOc1ccc(NC(=O)COc2ccc(-c3nc4c(c(O)nc(=O)n4CC(C)C)n3CCOC)cc2OC)cc1	514381432	FILUNPNVRHIEGB-UHFFFAOYSA-N	565.627	3.693	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N(C)Cc2ccc(Br)s2)cc1	514381908	BGYWWIIXUPAEBO-KRWDZBQOSA-N	521.524	3.968	0	20	KHAD	
O=C(Cc1csc(-c2cccs2)n1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514382692	AQVIHCGPLQVMIO-UHFFFAOYSA-N	518.686	3.674	0	20	KHAD	
COc1ccc(NC(=O)CCSc2nnnn2-c2ccc(C)cc2C)cc1S(=O)(=O)N1CCCCC1	514391372	IGDQBQRIOHTSHF-UHFFFAOYSA-N	530.676	3.583	0	20	KHAD	
CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1	514394682	YZHQSILBFDZHPJ-OAQYLSRUSA-N	514.696	3.725	0	20	KHAD	
O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)NCc1ccccc1S(=O)(=O)N1CCCCC1	514395144	DEPLXUVURRJVTN-UHFFFAOYSA-N	582.796	3.895	0	20	KHAD	
CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1OCC	514301303	ZTIPSFUJUHVLTE-UHFFFAOYSA-N	524.540	3.577	0	20	KHAD	
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)CC2	514386883	HLGISQCAQXLTAI-NEKDWFFYSA-N	512.672	3.610	0	20	KHAD	
COc1ccc([C@H]2CCCN2C(=O)CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)cc1OC	514396037	ZVMMSYUQFWTWBQ-GOSISDBHSA-N	505.618	3.551	0	20	KHAD	
C[C@@]1(F)[C@H](c2c(Cl)cccc2C(=O)O)[C@H](COC(=O)c2ccccc2)O[C@H]1n1ccc(O)nc1=O	2048529456	YOTRILQUZMZKDU-GFADGAFCSA-N	502.882	3.567	0	20	KHAD	
C[C@H](c1ccccc1)n1c(SCC(=O)NC(C)(C)C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	514374966	ISNBRENXJOLURV-LJQANCHMSA-N	543.715	3.582	0	20	KHAD	
CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)nnc1-c1cccs1	514378917	JZSKEMJNMXISCF-UHFFFAOYSA-N	546.527	3.959	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2cccc(Cl)c2C)c(C(=O)OC)c1C	514380358	IFTOZVMKJWOPBZ-OAHLLOKOSA-N	549.092	3.630	0	20	KHAD	
CCCNC(=O)CSc1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)s1	514404387	FPEPFKSOSZVYFS-MRXNPFEDSA-N	508.691	3.774	0	20	KHAD	
O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)/C(=C\c1cccs1)n1nnnc1-c1ccccc1	920745461	OZGFJHXWWZJNGA-HMMYKYKNSA-N	500.005	3.643	0	20	KHAD	
C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C(=O)NC(=O)NC1CCCCC1	514291923	KKIPKXPRSBJCCQ-INIZCTEOSA-N	521.665	3.550	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)c1c(O)nc(=O)n(CCCC)c1N	514295139	HDTVCWSVGOKTPM-XMMPIXPASA-N	570.735	3.597	0	20	KHAD	
Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)no1	514377864	MASPFSFNJUSCMC-ZZAJSIFASA-N	520.677	3.785	0	20	KHAD	
O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCC(c2nc3ccccc3s2)CC1	514380733	OOIFJCUQQQMKRV-UHFFFAOYSA-N	501.630	3.532	0	20	KHAD	
COC(=O)c1cc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)oc1C	514391080	ZJOBCAZMKBXRAX-UHFFFAOYSA-N	503.404	3.741	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)n2CCC(N)=O)sc2c1CC[C@@H](C)C2	514394261	LGICGDAOUCMXDG-CYBMUJFWSA-N	517.633	3.507	0	20	KHAD	
Cn1cccc1C(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3c(Cl)cncc3s1)CC2	1826995006	SYAGAELIZQPJAF-NSHDSACASA-N	500.005	3.853	0	20	KHAD	
Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCCC1	514298610	CHRVSTPKYZNRLE-OAQYLSRUSA-N	571.725	3.712	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1N1CCCCC1)n2CC	514377161	ZEGFAPSINFGBIY-UHFFFAOYSA-N	660.863	3.669	0	20	KHAD	
COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)CC2	514386820	DIGVNSHVFLJWTN-NIYFSFCBSA-N	546.736	3.990	0	20	KHAD	
Nc1nc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(-c4ccccc4Cl)[nH]n2)CC3)cs1	1815132436	NCNYYNCFBOXHSR-JTQLQIEISA-N	500.009	3.765	0	20	KHAD	
CC[C@@H](c1nnc(SCc2nnc(-c3ccccc3Br)o2)n1CCN1CCOCC1)N(C)C	514293015	OKMZVZCKTXQHBI-SFHVURJKSA-N	536.500	3.728	0	20	KHAD	
CCCCn1c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293768	XBQJRJVUIOZONZ-SFHVURJKSA-N	534.708	3.754	0	20	KHAD	
Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2	514296995	LYBQXJWQIQOWSM-FQEVSTJZSA-N	502.409	3.763	0	20	KHAD	
CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)[C@@H]1c1ccc(OC)cc1	514301314	ZTQNFCCTUPGHDE-GJZUVCINSA-N	547.649	3.574	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2CC)ccc1C	514374353	AJZGQPCPCBBYJG-KRWDZBQOSA-N	502.666	3.818	0	20	KHAD	
CCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@@H](C)C3)[C@H]1CCS(=O)(=O)C1	514375353	OXQNLJMLKVZMME-CVEARBPZSA-N	511.735	3.511	0	20	KHAD	
CCc1ccc([C@H](NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)C(C)C)cc1	514383432	JBNFVIXRHJVGCP-HHHXNRCGSA-N	512.676	3.603	0	20	KHAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nc3scc(-c4cccs4)c3c(=O)n2CC)c(O)nc1=O	514386317	KFFBUIHPNFDOEW-UHFFFAOYSA-N	560.727	3.996	0	20	KHAD	
Cc1cccc(-n2c(S[C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)nc3cc(Cl)ccc3c2=O)c1C	514387696	ITAAYDOJGWPEQP-WMZOPIPTSA-N	520.076	3.782	0	20	KHAD	
COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)CC2	514388158	VQRJYOWRNIPHQT-FQRUVTKNSA-N	518.701	3.671	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1CCN1CCOCC1)N(C)C	514293886	UMUDCUYEEYVYES-UZLBHIALSA-N	529.538	3.899	0	20	KHAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1	514295731	GKWVVOWWGZCCJS-QGZVFWFLSA-N	528.631	3.578	0	20	KHAD	
COc1ccc(-n2c(SCC(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)nc3ccccc3c2=O)cc1OC	514375702	VGHICQDFDJCDFU-UHFFFAOYSA-N	608.721	3.685	0	20	KHAD	
CCCn1c(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1-c1cccc(C)c1	514376442	MIICKQXWCSGFKG-IBGZPJMESA-N	529.688	3.804	0	20	KHAD	
Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)no1	514377861	MASPFSFNJUSCMC-DLUQJKKWSA-N	520.677	3.785	0	20	KHAD	
CCN1CCN(c2ccc(Cl)cc2NC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1	514382014	YQJKRVODOCNBNQ-UHFFFAOYSA-N	557.120	3.590	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(-n3nc(C)c(CCC(=O)OC)c3C)cc2)c(O)nc1=O	514384686	UDCKGSFAHBGWGN-UHFFFAOYSA-N	538.649	3.542	0	20	KHAD	
O=C(CCN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	514392640	ZKGRPCGLHXPRFP-UHFFFAOYSA-N	563.164	3.814	0	20	KHAD	
CCOc1cc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)ccc1OCC(=O)N1CCCCC1	514401729	CNFZPFUBNTXUAS-XMMPIXPASA-N	530.065	3.933	0	20	KHAD	
CSCC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	514402282	NKQMDXZXBHFBTR-CMKODMSKSA-N	542.123	3.750	0	20	KHAD	
Cc1ccc[n+](/C(C(O)=c2ccc3c(c2)CCC(=O)N=3)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1	912832037	GOTKMWXMYPVEGX-UHFFFAOYSA-O	500.522	3.808	0	20	KHAD	
C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1Oc1cccc(Br)c1)CS2	514297222	YAMIZHUKSHZSMA-YKSBVNFPSA-N	596.525	3.655	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)nc2cc(Cl)ccc2c1=O	514303421	MREPUYFHWYNIRS-MRXNPFEDSA-N	518.035	3.697	0	20	KHAD	
COc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1S(=O)(=O)Nc1ccc(I)cc1	514380291	HQGGEDIUIITRTM-UHFFFAOYSA-N	571.437	3.736	0	20	KHAD	
CSCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)c1nnc2ccccn12	514383169	ZTZIFPZEMYOHHP-JOCHJYFZSA-N	529.732	3.974	0	20	KHAD	
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(C3CC3)n2CCC(N)=O)sc2c1CC[C@@H](C)C2	514394779	SLFVWFUBUXJVLV-OLZOCXBDSA-N	505.666	3.513	0	20	KHAD	
Cc1ccc(NC(=O)[C@@H](C)Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1	514293547	SNWCXPVBTNZCNB-RTBURBONSA-N	593.175	3.992	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)n2CC(C)C)c1	514300280	NFCDUUHAAWHBDM-UHFFFAOYSA-N	608.812	3.627	0	20	KHAD	
CC(C)Cn1c(SCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)nnc1N1CCOCC1	514386575	TYKMPTHTECIDQY-HSZRJFAPSA-N	503.669	3.538	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	514388907	VBXWIXRJZVMWMB-HKUYNNGSSA-N	502.637	3.649	0	20	KHAD	
COCCCn1c(SC[C@@H](O)COc2ccccc2C(C)C)nc2cc(C(=O)OC)ccc2c1=O	514401015	IZURYVUMRQEGEF-IBGZPJMESA-N	500.617	3.875	0	20	KHAD	
O=C1CSc2ncc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc(Cl)c3)CC4)cc2N1	1824223006	PULXVBSGMHTYKC-AWEZNQCLSA-N	500.005	3.775	0	20	KHAD	
CC(C)CCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc2cc(Cl)ccc2c1=O	15278429	JDIRPHLIKKBYNQ-UHFFFAOYSA-N	503.024	3.766	0	20	KHAD	
CCOc1ccc(CCn2c(S[C@@H](C)C(=O)NC(=O)NC)nnc2-c2ccc(OC)cc2)cc1OCC	514294439	ZTPHAFRBDHZZDN-KRWDZBQOSA-N	527.647	3.930	0	20	KHAD	
COc1cc(-c2nnc(CSc3ccc(S(=O)(=O)N4CCCCC4)cn3)o2)cc(OC)c1OC	514300181	LDQROHSSZYQZKX-UHFFFAOYSA-N	506.606	3.624	0	20	KHAD	
C[C@@H]1CCCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2[C@H](C)c2ccccc2)C1	514375420	PUOYGBFNKIMQIJ-FGZHOGPDSA-N	569.753	3.926	0	20	KHAD	
COc1ccc(C(=O)N2CCC[C@H](C(=O)NC[C@@H](c3ccc(C)o3)N3CCOCC3)C2)c2ccccc12	514390241	CONDKHFQZZKTJC-OFVILXPXSA-N	505.615	3.792	0	20	KHAD	
CCCN(C(=O)[C@@H](C)Sc1nnc(-c2cc(OCC)c(OCC)c(OCC)c2)o1)[C@H]1CCS(=O)(=O)C1	514395275	GVTBEMOOOURFRD-AEFFLSMTSA-N	541.692	3.839	0	20	KHAD	
Cc1ncc(/C=C/C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(Cl)c4nncn4c2)CC3)s1	1827121538	NJEKDHIJYMJRKH-LQPUYASZSA-N	500.009	3.543	0	20	KHAD	
CN(C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1cccc(F)c1	514292407	LCKPUPWFPCIOME-FQEVSTJZSA-N	501.546	3.664	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(O)nc1=O	514296160	MKDOZLZQJPXJFF-UHFFFAOYSA-N	581.739	3.891	0	20	KHAD	
COc1ccc([C@@H](CC(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)NC(C)=O)cc1	514301844	DWUSTRNSDUWPQH-HXUWFJFHSA-N	510.616	3.600	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)c1	514378177	AQPPWYKPTLOFDG-FQEVSTJZSA-N	609.568	3.977	0	20	KHAD	
Cc1nc(Nc2ncc(C(=O)Nc3cc(Cl)cc(Cl)c3C)s2)cc(N2CCN(CO)CC2)n1	2048529017	YCNUDSLUUVRSLJ-UHFFFAOYSA-N	508.435	3.924	0	20	KHAD	
CCCCN/C(S)=C(/C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)[n+]1ccc2c(c1)CCCC2	27322832	GMLOZRYALPCAGS-UHFFFAOYSA-O	500.710	3.894	0	20	KHAD	
Cc1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)s2)c(=O)n(-c2ccccc2)n1C	514300293	NMXJGORERSQQHQ-DZWYUUEJSA-N	640.792	3.531	0	20	KHAD	
CCOc1ccc(-n2c(SCC(=O)N(CC)[C@H]3CCS(=O)(=O)C3)nnc2-c2cccc(C)c2)cc1	514376013	ZFJSKSJTOQDCES-NRFANRHFSA-N	514.673	3.769	0	20	KHAD	
CCOc1ccc(-n2c(SCC(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)nnc2-c2cccc(C)c2)cc1	514376014	ZFJSKSJTOQDCES-OAQYLSRUSA-N	514.673	3.769	0	20	KHAD	
CC(C)OCCCn1c(S[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)nc2cc(Cl)ccc2c1=O	514389339	DVWPPKPVPRPABV-LBPRGKRZSA-N	508.950	3.734	0	20	KHAD	
COc1ccc(C(=O)N2CCC[C@H](C(=O)NC[C@H](c3ccc(C)o3)N3CCOCC3)C2)c2ccccc12	514390243	CONDKHFQZZKTJC-SQJMNOBHSA-N	505.615	3.792	0	20	KHAD	
C[C@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)C(=O)NC1CCN(Cc2ccccc2)CC1	514395561	NIMIOZQSOAFISP-FQEVSTJZSA-N	524.666	3.504	0	20	KHAD	
CCCCn1c(SCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)nnc1[C@H](CC)N(C)C	514290915	BARTWVAFLBMEQB-NRFANRHFSA-N	549.767	3.774	0	20	KHAD	
COc1ccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccccc1Cl	514296894	PRVNLWFEQBMFMQ-CALCHBBNSA-N	520.007	3.653	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(C(=O)OC)c1C	514297269	RBXFOAJFEMZCAX-CYBMUJFWSA-N	601.071	3.923	0	20	KHAD	
O=C(CN1CCN(C(=O)CSc2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1C(F)(F)F	514298866	IRFGGZMMCAGYQU-UHFFFAOYSA-N	506.472	3.994	0	20	KHAD	
CNC(=O)C1CCN(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)c(Cl)c2)CC1	514302404	DRRBKFCIFYTDJS-UHFFFAOYSA-N	513.447	3.581	0	20	KHAD	
CCOC(=O)c1c(CSc2nnc([C@@H](CC)N(C)C)n2CCN2CCOCC2)nc2ccccc2c1C	514375771	VRMWVVAFMCWQBN-HSZRJFAPSA-N	526.707	3.949	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc(NC(C)=O)cc3C(F)(F)F)CC2=O)cc1	514392278	TXQRQSKPOVPJLV-INIZCTEOSA-N	540.564	3.686	0	20	KHAD	
CCCCn1c(N)c(N(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)C2CCCC2)c(O)nc1=O	514304398	SSYBKZMDQJTGKK-UHFFFAOYSA-N	564.672	3.694	0	20	KHAD	
CCn1c(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)nnc1-c1cccc(Cl)c1	514375812	WFLFNXMGEBCRNG-UHFFFAOYSA-N	534.086	3.900	0	20	KHAD	
Cc1nc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCCC3)cc2s1	514378115	RUNSBLCMHHZACA-UHFFFAOYSA-N	500.646	3.868	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1	514381500	HFNMDEYSHKSSGH-HXUWFJFHSA-N	502.605	3.745	0	20	KHAD	
CCCCCn1c(=O)c2ccccc2n2c(SCC(=O)N(c3c(O)nc(=O)n(CCCC)c3N)C3CCCC3)nnc12	514386654	WXBRBAPUIMULKT-UHFFFAOYSA-N	594.742	3.947	0	20	KHAD	
CCOc1cccc2cc([C@H](C)NC(=O)[C@H](CCSC)NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)oc12	514387469	NCDDGIWPQJWWPV-CVDCTZTESA-N	589.736	3.581	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)C[C@@H](NC(C)=O)c2cccs2)c1	514393151	PLRCUPXXASCGPD-OAQYLSRUSA-N	506.694	3.975	0	20	KHAD	
COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)cc1	514404870	LRNKDFRMNGGKFD-OAHLLOKOSA-N	653.415	3.564	0	20	KHAD	
O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NS(=O)(=O)c1cccc(-n2cnnn2)c1	916764213	GMWDQRIFZPUMEU-JOCHJYFZSA-N	500.005	3.643	0	20	KHAD	
O=C1CSc2ncc(C(=O)N[C@H]3CCc4nc(NC(=O)c5ccc(Cl)cc5)sc4C3)cc2N1	1822203167	RYBYDRZUZSUUJL-AWEZNQCLSA-N	500.005	3.775	0	20	KHAD	
COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1	514292774	MSGORAUKNAJPBN-AZXNSQLWSA-N	545.727	3.897	0	20	KHAD	
CCc1c(C)sc2nc(S[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)n(C[C@@H]3CCCO3)c(=O)c12	514293925	UXPGYPLVUOXXIU-QUCCMNQESA-N	606.792	3.648	0	20	KHAD	
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)n1	514375386	ONVSZVCUQHEONF-UHFFFAOYSA-N	521.647	3.843	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)N3CCN(c4ccc(F)cc4)CC3)o2)c1	514395948	XTGUXLBHSOCVGI-SFHVURJKSA-N	547.678	3.736	0	20	KHAD	
COC(=O)CCCCCn1c(SC[C@H](O)COCc2ccc(OC)c(OC)c2)nc2ccccc2c1=O	514401357	VCRDLFUKPWHWLS-HXUWFJFHSA-N	530.643	3.817	0	20	KHAD	
O=C(CNc1ccccc1N1CCCCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	514402299	NVTFPOUAOGXLPM-UHFFFAOYSA-N	507.056	3.792	0	20	KHAD	
COCCCn1c(SC[C@H](O)CO[C@H]2CCCc3ccccc32)nc2cc(C(=O)OC)ccc2c1=O	514388432	YJDSXBIJVPANEU-YKSBVNFPSA-N	512.628	3.767	0	20	KHAD	
COc1cc(C(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc(Cl)c1OCC(C)C	514390324	GBIUDRFSGZCVOI-UHFFFAOYSA-N	500.017	3.525	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CSc1nnc(N3CCCCC3)n1Cc1ccco1)n2CC	514392734	AARVTFGDSBHUFP-UHFFFAOYSA-N	512.640	3.634	0	20	KHAD	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nnc(N2CCC(C)CC2)n1C[C@@H]1CCCO1	514393695	JIFVGVNGHNHYQA-NRFANRHFSA-N	517.696	3.851	0	20	KHAD	
Cc1cc(Cl)cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)nc5sccn45)sc3C2)c1	1821156727	GUYTZKMFZIFEOR-CQSZACIVSA-N	500.005	3.714	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2CC(C)C)c1	514294412	ZBPHLDMQMMJDJS-UHFFFAOYSA-N	506.654	3.659	0	20	KHAD	
CC(C)CN(C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N	514379379	TWCNHIKRRKVYGA-JOCHJYFZSA-N	505.619	3.738	0	20	KHAD	
CCCCCn1c(S[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3	514388240	MEOQISUSMHRDIA-JKSUJKDBSA-N	511.735	3.653	0	20	KHAD	
COCCCN(C(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514291228	BQVDFUIRDFJVNQ-UHFFFAOYSA-N	545.036	3.960	0	20	KHAD	
Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN3CCN(CC(=O)N4CCCC4)CC3)nc2c1C	514404358	DTMOTZREBFHUPN-UHFFFAOYSA-N	505.688	3.686	0	20	KHAD	
COCc1c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)oc2ccccc12	514405147	QXRZNHNIDITQAX-UHFFFAOYSA-N	513.616	3.843	0	20	KHAD	
Cc1cc[n+](/C(C(O)=c2ccc3c(c2)CCC(=O)N=3)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1	912832168	UNVNGAMNNKINQM-UHFFFAOYSA-O	500.522	3.808	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)n1CCN1CCOCC1)N(C)C	514294446	ZWTPRLQHTBFKFS-IBGZPJMESA-N	516.634	3.579	0	20	KHAD	
CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)sc1C	514299819	JDTLUTGRTANEGK-UHFFFAOYSA-N	625.773	3.744	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCO1)c1c(O)nc(=O)n(CC(C)C)c1N	514375464	QXROHBBDPQBJME-NRFANRHFSA-N	585.731	3.559	0	20	KHAD	
CS(=O)(=O)N1CCCc2cc(C(=O)/C(=C(/S)Nc3ccccc3F)[n+]3cccc(O)c3)ccc21	27098153	CYOYTOBPXDVYDT-UHFFFAOYSA-O	500.597	3.582	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(-c2cccc(Cl)c2)o1)c1c(O)nc(=O)n(CC(C)C)c1N	514299549	IGGCGNWAWYIYFN-UHFFFAOYSA-N	507.016	3.672	0	20	KHAD	
CCCCn1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1-c1ccc(OC)cc1	514292817	MMXRCJHOEKIAMZ-IBGZPJMESA-N	559.714	3.894	0	20	KHAD	
COc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1S(=O)(=O)N1CCOCC1	514298558	AGKCDTXUSKVAMK-UHFFFAOYSA-N	504.624	3.759	0	20	KHAD	
COCCCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1ccc(OC)c(OC)c1	514385509	JWIWZTQTLDIQFE-UHFFFAOYSA-N	502.593	3.747	0	20	KHAD	
CCN1CCC(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2cccc(OC)c2)CCN(CC)C4)CC1	514386691	YOAQPJJMZWMWBB-UHFFFAOYSA-N	541.743	3.526	0	20	KHAD	
Cn1ncc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2nc(-c4ccccc4)ns2)CC3)c1Cl	1821005664	OVSLHCKYPMSNDS-LBPRGKRZSA-N	500.009	3.588	0	20	KHAD	
CCOc1ccc(C(C)=O)cc1CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	514296605	JLGLTGDCIYJKBL-UHFFFAOYSA-N	527.064	3.834	0	20	KHAD	
CCCCCN(C(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccco1)c1c(O)nc(=O)n(CCCC)c1N	514376134	CNUHEBWMESYIKZ-UHFFFAOYSA-N	624.720	3.785	0	20	KHAD	
CCCCN(C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N	514378727	IHSALDHGUHAOKU-JOCHJYFZSA-N	505.619	3.882	0	20	KHAD	
Cc1ccn2c(CN3CCN(C(=O)C4CCN(S(=O)(=O)c5ccccc5C(F)(F)F)CC4)CC3)c(C)nc2c1	514381902	AZJQPIHYUUMHPJ-UHFFFAOYSA-N	563.646	3.715	0	20	KHAD	
CCOc1ccc(-n2c(S[C@@H](C)C(=O)N(CC)[C@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2)cc1	514388628	RPXVJNVEETWKLR-RXVVDRJESA-N	514.673	3.849	0	20	KHAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H](CSC)N3C(=O)[C@H]4CCCC[C@H]4C3=O)ccc2C)cc1	514402880	GRGQLQXEHUXCFQ-BDTNDASRSA-N	545.683	3.650	0	20	KHAD	
O=C(CN1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)CC1)Nc1ccc(F)cc1	514385742	SUEVQGIJHGVLME-QFIPXVFZSA-N	577.686	3.620	0	20	KHAD	
CCCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1	514395831	VAKPHGLXIYHFSP-SJLPKXTDSA-N	551.637	3.893	0	20	KHAD	
O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(Br)ccc1I	392401747	RYZLPYKSBADVSP-HNNXBMFYSA-N	521.218	3.919	0	20	KHAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1	514388181	WDERKMKCLQAPFH-UHFFFAOYSA-N	576.697	3.555	0	20	KHAD	
O=C(Nc1ccccc1)C1CCN(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)CC1	514392461	XNIUICMXAKKZBL-UHFFFAOYSA-N	504.660	3.833	0	20	KHAD	
CCCN(C(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1	514395520	MMEPWEMQCNDNDZ-MJGOQNOKSA-N	544.139	3.771	0	20	KHAD	
CCCn1c(CCC(=O)Nc2ccccc2C(=O)N2CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293959	ULVRDNWLZQZDPE-UHFFFAOYSA-N	567.712	3.665	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Sc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)ccc1C	514376365	JHZSRFBTBFROJD-INIZCTEOSA-N	554.716	3.536	0	20	KHAD	
O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514380269	HEVLCLOTIYKPOF-UHFFFAOYSA-N	582.571	3.653	0	20	KHAD	
CCc1cccc(OC[C@@H](O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n2CC)c1	514380790	QKLJKXYFCNCVBG-OAQYLSRUSA-N	516.689	3.844	0	20	KHAD	
CCCn1c(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCC3	514404929	OHHWLBJOYWQDQD-HNNXBMFYSA-N	537.754	3.726	0	20	KHAD	
O=C1CSc2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3ccnc(Cl)c3)CC4)ccc2N1	1816971504	QJQJBSDJDIKGBQ-CYBMUJFWSA-N	500.005	3.775	0	20	KHAD	
CCCCn1c(N)c(N(CC)C(=O)c2cc(S(=O)(=O)N(C)c3ccc(OCC)cc3)ccc2C)c(O)nc1=O	514294953	FWFLXIJBPNEKOW-UHFFFAOYSA-N	557.673	3.530	0	20	KHAD	
C[C@H]1CN(C(C)(C)CNC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)C[C@H](C)O1	514392942	IIGLSZUFAXNRDT-HOTGVXAUSA-N	595.398	3.616	0	20	KHAD	
CCN(CC)C(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@@H](C)COC	514394739	RJJFGNFDJYBFRS-ZWKOTPCHSA-N	511.714	3.532	0	20	KHAD	
CC(C)C(=O)Nc1nc(=O)c2ncn([C@H]3CN(C(c4ccccc4)(c4ccccc4)c4ccccc4)C[C@@H](CO)O3)c2[nH]1	137234263	LNQQABQFAZWVNX-RRPNLBNLSA-N	578.673	3.898	0	20	KHAD	in-vitro
CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n1CCN1CCOCC1)N(C)C	514291893	HYTAVCYFIXGCQS-WIYYLYMNSA-N	529.736	3.866	0	20	KHAD	
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)c1C	514294111	YSWHVAPLDACLCZ-QFIPXVFZSA-N	501.649	3.592	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(C)c(S(=O)(=O)N(CC)CC)c3)nnc12	514374624	DXSVTKKCOWNPNO-UHFFFAOYSA-N	586.740	3.541	0	20	KHAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1	514376512	BPMHLLWCYCMWLC-VWLOTQADSA-N	558.697	3.917	0	20	KHAD	
CCCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)c1c(O)nc(=O)n(CC(C)C)c1N	514378319	FQKQSDZBLQMZHC-UHFFFAOYSA-N	561.749	3.719	0	20	KHAD	
COCCCN(C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1c(O)nc(=O)n(CC(C)C)c1N	514378838	IYPLDFMCBDJFHH-UHFFFAOYSA-N	507.802	3.596	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)CC2)cc1C	514401730	CNKNZSCWVLLDTQ-UHFFFAOYSA-N	509.672	3.788	0	20	KHAD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(Cl)cncc2s1)c1cc(=O)nc2sccn12	1796372302	KFMPRQDPUZFMEZ-CLLJXQQHSA-N	500.005	3.585	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nc3ccc(Br)cc3c(=O)n2CCOC)c1	514376397	KUQQZOBAZDUXBY-UHFFFAOYSA-N	613.556	3.575	0	20	KHAD	
CCN(C(=O)CN(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1	514387805	RCYQJPJYEZVKOD-QHCPKHFHSA-N	515.079	3.719	0	20	KHAD	
CC(C)N(CCn1c(SCC(=O)N(CCC(N)=O)c2ccc(F)cc2)nc2ccccc2c1=O)C(C)C	514390583	PNBHPDFYXRKNNL-UHFFFAOYSA-N	527.666	3.655	0	20	KHAD	
CCN(CC)CCn1c(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)nc2ccccc21	514390930	CDHFCHMJVZGFDT-UHFFFAOYSA-N	529.571	3.690	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	514377752	HZXCIXGVWJCMQC-BWKNWUBXSA-N	533.647	3.538	0	20	KHAD	
CCN1CCN(c2ccccc2NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1	514403573	NPELRSSODZTOOT-UHFFFAOYSA-N	524.609	3.887	0	20	KHAD	
CCc1ccc(OCc2nnc(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)n2CC(C)C)cc1	514292419	KTTPAVIXYJRFTM-OAQYLSRUSA-N	522.737	3.839	0	20	KHAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1	514299405	FAZZRUKDAXKXJZ-QFIPXVFZSA-N	516.541	3.523	0	20	KHAD	
CC(C)(C)OC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1	514374996	JMCRXLBIPATVCK-UHFFFAOYSA-N	548.662	3.587	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(N3CCOCC3)n2Cc2ccco2)sc2c1CC[C@@H](C)C2	514393418	AHKHNLZBZUKCPB-MRXNPFEDSA-N	545.687	3.850	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)Sc2nc3scc(-c4cccs4)c3c(=O)n2C)c(O)nc1=O	514395389	JFCLTVXOVOLWRV-CQSZACIVSA-N	590.753	3.528	0	20	KHAD	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	514291718	GCHFXAZLDZMKAI-OAQYLSRUSA-N	513.038	3.504	0	20	KHAD	
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1	514300555	OIJPVZGKRCIOKT-UHFFFAOYSA-N	513.538	3.599	0	20	KHAD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CC[C@H](C)C4)c1C	514383207	DGUFPCMFASIWIT-WMLDXEAASA-N	576.766	3.757	0	20	KHAD	
COCCCn1c(SCC(=O)N(C)Cc2ccc(OC)cc2)nnc1-c1ccc(OC)c(OC)c1	514391478	KYMLMBNUDWQUIK-UHFFFAOYSA-N	500.621	3.758	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2[C@H](C)COC)c1	514375986	YSWNXEDSAKEMLG-QGZVFWFLSA-N	561.686	3.643	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CSc1nnc(NC[C@@H]2CCCO2)s1	514390097	XQEWMQVBHBKJGX-KRWDZBQOSA-N	525.722	3.813	0	20	KHAD	
CCOC(=O)c1c(CC(C)C)csc1NC(=O)CSc1nnc(N2CCOCC2)n1Cc1ccco1	514393781	KCFUISADMGLDNB-UHFFFAOYSA-N	533.676	3.924	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C	514300210	LSAMFFWKZAKRFM-WMZHIEFXSA-N	501.649	3.637	0	20	KHAD	
CCCOc1ccccc1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC	514377089	LDZRRUHULAFUCK-UHFFFAOYSA-N	514.648	3.827	0	20	KHAD	
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	514377290	QEMZAKZFMZYCAP-HXUWFJFHSA-N	580.050	3.870	0	20	KHAD	
CCn1c(CCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514379932	FJXIYAFPHMPABQ-UHFFFAOYSA-N	573.041	3.655	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(SC[C@@H](O)COCc3ccc(Cl)cc3)nnc12	514386859	GHVIDKFJLKVUJE-IBGZPJMESA-N	503.024	3.794	0	20	KHAD	
Cn1c(CCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514390222	BZOLPDDYXHFFPW-UHFFFAOYSA-N	550.150	3.740	0	20	KHAD	
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1	514403716	ZWORNYGFYQEVIP-IBGZPJMESA-N	566.479	3.656	0	20	KHAD	
CCOc1ccc(-c2nc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)cc(OC)c3OC)sc2C)cc1	514294293	ZTUBIWVDEQTWSD-UHFFFAOYSA-N	547.655	3.808	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccc(F)cc4)n3C[C@H]3CCCO3)CC2)cc1C	514294940	FBCBPRGZMBSCAT-HSZRJFAPSA-N	573.716	3.505	0	20	KHAD	
COc1ccc(C(=O)N2CCN(CC(F)(F)F)CC2)cc1S(=O)(=O)Nc1ccc(Br)cc1	514391106	FSSGWUQQOYNSRN-UHFFFAOYSA-N	536.370	3.579	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514395615	OOPIODRLUHYPSI-AVRDEDQJSA-N	541.699	3.870	0	20	KHAD	
CC(=O)N1CCC(NC(=O)CCN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(Br)cc2)CC1	514401017	JAWNYWQSVTZXAI-UHFFFAOYSA-N	536.492	3.778	0	20	KHAD	
CN(C)[C@H](CNC(=O)CSc1nnc(SCC(=O)NC[C@H](c2ccccc2)N(C)C)s1)c1ccccc1	514404311	BMOGLNFPWCNWSU-FGZHOGPDSA-N	558.799	3.561	0	20	KHAD	
CC(=O)N[C@H](CC(=O)N1CCN(Cc2c(C)nc3cc(C)ccn23)CC1)c1ccc(Br)cc1	514298994	CBCUUMPGUMXMRV-JOCHJYFZSA-N	512.452	3.625	0	20	KHAD	
COCCCN(C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1c(O)nc(=O)n(CC(C)C)c1N	514299541	HRJXNTPDZYHJKH-UHFFFAOYSA-N	550.479	3.685	0	20	KHAD	
CC(C)c1ccc(Nc2nnc(SCC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)s2)cc1	514300917	TVMSUAXUXGWZPK-OALUTQOASA-N	510.707	3.692	0	20	KHAD	
O=C(CCc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514390568	OVAQAFUIVSOFRR-UHFFFAOYSA-N	506.930	3.873	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCCN(C)c3ccccc3)n2[C@H](C)COC)c1	514392077	TVHFBDVKPZWEFG-JOCHJYFZSA-N	588.800	3.918	0	20	KHAD	
Cc1cc(C)n(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)n1	514295134	AZUKUBVBWXPLOF-UHFFFAOYSA-N	506.978	3.779	0	20	KHAD	
Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c(=O)n(-c2ccccc2)n1C	514299737	QCKQRYNFHHJDMC-GOSISDBHSA-N	548.134	3.604	0	20	KHAD	
CCCn1c(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1-c1cccc(C)c1	514376448	MIICKQXWCSGFKG-LJQANCHMSA-N	529.688	3.804	0	20	KHAD	
CCCN(C(=O)[C@H](C)Sc1nnc(-c2ccoc2C)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	514395077	BUHVTUJLVHFCNF-AZUAARDMSA-N	502.662	3.801	0	20	KHAD	
O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	9559429	IXHFEAZTNZBCAK-UHFFFAOYSA-N	526.522	3.692	0	20	KHAD	
CC(C)CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514299679	NKFOZPNSQAJDRS-UHFFFAOYSA-N	606.120	3.852	0	20	KHAD	
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1S(=O)(=O)N(C)C	514376387	KEFYQFIRSJULDM-UHFFFAOYSA-N	534.487	3.592	0	20	KHAD	
CC(=O)NCc1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)n2)o1	514389458	HLHFQDYYEJXACU-UHFFFAOYSA-N	542.683	3.957	0	20	KHAD	
COc1cc(OC)c(OC)cc1CNC(=O)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1	514400831	BPKVKORJXBZITR-UHFFFAOYSA-N	525.675	3.747	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nnc1-c1ccncc1	514375439	PDRHIECCVPWXMH-QGZVFWFLSA-N	500.650	3.654	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1n[nH]c(CCC2CCCC2)n1	514393834	MKMCIDZQPACMFN-UHFFFAOYSA-N	507.682	3.842	0	20	KHAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(O)nc1=O	514401073	LBXHUFAKAOFFCB-UHFFFAOYSA-N	547.722	3.977	0	20	KHAD	
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514294782	BXPMETKOOXHRAG-AWEZNQCLSA-N	522.929	3.708	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4ccc5c(c4)OCCO5)cs3)CC2)c(C(=O)OC)c1C	514377727	GXHHFGYCSDVTSH-UHFFFAOYSA-N	621.715	3.564	0	20	KHAD	
C[C@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514291072	CSYIOSCARIUEKK-MSOLQXFVSA-N	579.148	3.684	0	20	KHAD	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1	514300659	QSIPSDIPBAHBDN-UHFFFAOYSA-N	579.473	3.842	0	20	KHAD	
COCCN(C(=O)CSc1nnc(-c2ccco2)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)c1c(O)nc(=O)n(CC(C)C)c1N	514376808	SBBUVVYZGYYGJS-FUMNGEBKSA-N	585.731	3.808	0	20	KHAD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)CSc1nnc(CN2CCCC2)n1-c1ccccc1	514403668	XWBSYTYKCDEYTD-UHFFFAOYSA-N	522.675	3.841	0	20	KHAD	
Cc1ccn2c(=O)c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3sccc3Cl)CC4)cnc2c1	1818515620	RCVIOJFGMIOWHN-LBPRGKRZSA-N	500.005	3.714	0	20	KHAD	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	514291198	AQRBYBASMRWRNR-UHFFFAOYSA-N	564.708	3.552	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC1)n2CC(C)C	514296209	NBYFTOLJBQTSEP-UHFFFAOYSA-N	613.568	3.527	0	20	KHAD	
CCCCCN(C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C)c1c(O)nc(=O)n(CCCC)c1N	514297226	YDCGFQTYUPXIOL-UHFFFAOYSA-N	521.684	3.507	0	20	KHAD	
CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3sc(C(=O)OC)c(C)c3C(=O)OC)CC2)sc(C)c1C	514376678	FAZXVKKOACMHJL-UHFFFAOYSA-N	586.710	3.524	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1	514384376	OCMCCDLMYAGKOC-FQEVSTJZSA-N	502.662	3.803	0	20	KHAD	
CCOc1cccc2cc([C@@H](C)NC(=O)[C@@H](CCSC)NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)oc12	514387467	NCDDGIWPQJWWPV-AUSIDOKSSA-N	589.736	3.581	0	20	KHAD	
COc1ccccc1N(CCC(N)=O)C(=O)CSc1nnc(COc2ccccc2)n1CCC(C)C	514390398	IVDSHZOSSGTXPB-UHFFFAOYSA-N	511.648	3.913	0	20	KHAD	
COc1cccc(CN(C)C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C2CCCC2)c1	514292608	OJKSIJMKQLQPHV-UHFFFAOYSA-N	585.752	3.840	0	20	KHAD	
CCn1c(CCC(=O)NCCc2ccc(Cl)cc2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293717	WUJAEOQXGWALIG-UHFFFAOYSA-N	539.485	3.675	0	20	KHAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2CC)c(O)nc1=O	514378393	FEMVJBYXIOUCRW-UHFFFAOYSA-N	603.790	3.743	0	20	KHAD	
CCCCc1ccc(NC(=O)[C@H](CCSC)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	514380977	UJRBXPKHELXAPZ-DEOSSOPVSA-N	533.716	3.540	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)Cc3ccc(Cl)s3)nnc12	514381813	UEUVXGKLEFXSPC-UHFFFAOYSA-N	506.053	3.936	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(SC[C@H](O)COCc3ccc(Cl)cc3)nnc12	514386860	GHVIDKFJLKVUJE-LJQANCHMSA-N	503.024	3.794	0	20	KHAD	
CC(=O)N1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)CC1	514395041	BBJNWFUVEOWDHR-OAHLLOKOSA-N	518.437	3.520	0	20	KHAD	
CCOC(=O)c1sc2[nH]c([C@H](C)Sc3nc4cc(C(=O)OC)ccc4c(=O)n3CCCOC)nc(=O)c2c1C	514374632	FBNMDZLRKFIFRA-AWEZNQCLSA-N	572.665	3.856	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nnc(COc2ccc(OC)cc2)n1-c1ccccc1F)[C@H]1CCS(=O)(=O)C1	514389062	XYCJBZRYDOVAJF-ROUUACIJSA-N	548.662	3.510	0	20	KHAD	
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N2CCCC2)cc1	514293689	VVIZDWLUYXOLRM-XMMPIXPASA-N	506.068	3.703	0	20	KHAD	
COCCCn1cnnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1	514293917	XMEGYAOAIOJODR-SFHVURJKSA-N	501.634	3.863	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c(O)nc1=O	514297146	XLXVGUAHRNEQNC-UHFFFAOYSA-N	637.681	3.993	0	20	KHAD	
Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F	514298570	ARGYCCQCQVYCLD-UHFFFAOYSA-N	554.595	3.818	0	20	KHAD	
COc1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc(OC)c1Br	514387967	KQWAJEPJSKKLMO-UHFFFAOYSA-N	530.341	3.882	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1	514301038	WPCYRUSBPCFJJS-UHFFFAOYSA-N	518.680	3.596	0	20	KHAD	
O=C(N[C@@H]1CCSc2c(F)cccc21)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514389542	JARMRLVLILMXLN-HXUWFJFHSA-N	506.621	3.741	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3snnc3C3CC3)sc2C1)c1cn2cc(Cl)ccc2n1	1817835417	QTIHEQHYVJCGIZ-LBPRGKRZSA-N	500.009	3.713	0	20	KHAD	
Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(=O)nc4sccn24)CC3)c(Cl)c1	1827645714	QRFDJWYQOKEYSY-GFCCVEGCSA-N	500.005	3.714	0	20	KHAD	
CC[C@@H](O)c1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(O)CC	2048529000	XKPLPNZCIVWPTP-XQJOSWFISA-N	616.715	3.972	0	20	KHAD	
COCCN(C(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1)c1c(O)nc(=O)n(CC(C)C)c1N	514302671	OUXKLNOWDSKMGH-UHFFFAOYSA-N	582.727	3.559	0	20	KHAD	
Cc1cc(NC(=O)CSc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)n([C@@H]2CCS(=O)(=O)C2)n1	514391506	LUSDFALFZMTORG-CYBMUJFWSA-N	548.594	3.776	0	20	KHAD	
Cc1ccc(-n2c(SCC(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)nnc2N2CCCC2)cc1	514400794	ALIYPMAODLJVHJ-FQEVSTJZSA-N	531.729	3.545	0	20	KHAD	
CCCCN(C(=O)CSc1nnc2n(-c3cc(C)ccc3C)c(=O)c3ccccc3n12)[C@@H]1CCS(=O)(=O)C1	514403977	VKPPLSNNFOFYOO-HXUWFJFHSA-N	553.710	3.558	0	20	KHAD	
CCCCN(C(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1)c1c(O)nc(=O)n(CCC)c1N	514404651	HOWDOEFORWHYSR-INIZCTEOSA-N	563.128	3.723	0	20	KHAD	
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)NCc1ccccc1CN1CCOCC1)CC2	514304423	SZORDMWIPBBDBS-LJAQVGFWSA-N	521.683	3.861	0	20	KHAD	
CCOc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1OCC(=O)N1CCCCC1	514378172	AQIIHFNMSLIECK-UHFFFAOYSA-N	529.659	3.904	0	20	KHAD	
CCCn1c(CCC(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514383124	ZEKNAAFJAPWLBM-UHFFFAOYSA-N	591.782	3.772	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(NC[C@H]3CCCO3)s2)cc1	514390041	WBWLCWNNPTVZRJ-GOSISDBHSA-N	525.722	3.813	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1	514299742	QGEGKZSEDKJMRM-UHFFFAOYSA-N	562.085	3.558	0	20	KHAD	
CN(C)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1	514379879	VZYRQPMLCQRWPU-UHFFFAOYSA-N	554.012	3.649	0	20	KHAD	
CCNC(=O)c1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)c1	514386412	OCKZMLNVIBLILL-SFHVURJKSA-N	526.684	3.996	0	20	KHAD	
COc1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCCCCC1	514391531	KSQQMOMYYCUQAP-UHFFFAOYSA-N	503.640	3.747	0	20	KHAD	
CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1	514395291	HIYHQMMQPFAWAE-SFHVURJKSA-N	504.678	3.858	0	20	KHAD	
O=C(c1cnc2snnc2c1)N1CC[C@@]2(C1)CN(C(=O)c1sc3ccccc3c1Cl)CCO2	1780069763	AKJBJZWEOOQXBX-JOCHJYFZSA-N	500.005	3.712	0	20	KHAD	
Cc1ccn2c(=O)c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3ccc(Cl)s3)CC4)cnc2c1	1818514034	FDIURZVZWOCROR-GFCCVEGCSA-N	500.005	3.714	0	20	KHAD	
CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)c(O)nc1=O	514377098	LMAUGSYTEJTBNN-UHFFFAOYSA-N	556.689	3.760	0	20	KHAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1	514379340	QRWQWPLTCVNNFF-UHFFFAOYSA-N	504.502	3.909	0	20	KHAD	
COc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)ccc1OC(F)F	514383998	OPUVWMADLLKVRP-UHFFFAOYSA-N	506.930	3.806	0	20	KHAD	
COc1cc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1OC(F)F	514405230	SMJXRWMAJVCQTI-NUJGCVRESA-N	515.538	3.987	0	20	KHAD	
O=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnc(Cl)s4)sc3C2)=Cc2ccccc2N1	1820785536	NLGCUXQOSDZSPK-CYBMUJFWSA-N	500.005	3.905	0	20	KHAD	
Nc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(-c5ccccc5Cl)[nH]n4)sc3C2)cs1	1821578970	URQZPDDGHKQNNK-JTQLQIEISA-N	500.009	3.765	0	20	KHAD	
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccc(Br)cc1	514294073	VJZZUNPTVRNSFE-INIZCTEOSA-N	523.449	3.889	0	20	KHAD	
CCOC(=O)c1sc2nc(CN(C)C)nc(N3CCN(c4cnn(-c5ccccc5)c(=O)c4Cl)CC3)c2c1C	514296857	OVKLIWORRFRIPS-UHFFFAOYSA-N	568.103	3.764	0	20	KHAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1c(O)nc(=O)n(CCCC)c1N	514297511	XKTDSNVBZHRTCC-UHFFFAOYSA-N	533.695	3.731	0	20	KHAD	
COC(=O)c1sc2[nH]c(CSc3nc4sc5c(c4c(=O)n3CCCN(C)C)CCCC5)nc(=O)c2c1C	514375370	PFRXAHQZTJHANT-UHFFFAOYSA-N	559.739	3.974	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)CC2)c(C(=O)OC)c1C	514377090	LGWAQXLHLSGQEW-UHFFFAOYSA-N	655.817	3.622	0	20	KHAD	
CCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514379410	UFOCVTWGCOIHSA-UHFFFAOYSA-N	583.711	3.784	0	20	KHAD	
Cc1cc(C)cc(OC[C@@H](O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)c1	514380094	JIUZIWCTZAFHRH-HSZRJFAPSA-N	584.720	3.756	0	20	KHAD	
Cc1ccc(NC(=O)CCCCCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(Cl)c1	514297787	UVXSWPWACYXSHF-UHFFFAOYSA-N	528.096	3.910	0	20	KHAD	
COc1cc(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc(OC)c1Br	514386971	BDTQRVGBRPBMDK-UHFFFAOYSA-N	509.422	3.844	0	20	KHAD	
Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c2cnn(C(C)C)c2n1	514390691	AKPSBWHLFPNURH-UHFFFAOYSA-N	504.513	3.616	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)N[C@H](C)c3ccccc3OC)nnc12	514395977	YKRRNKITUCZPBK-MSOLQXFVSA-N	509.632	3.837	0	20	KHAD	
CC(=O)NCCc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(CO)c2)cc1	27312452	PFXXLNVKPBDABR-UHFFFAOYSA-O	501.003	3.988	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)c(Cl)c2)CC1	514290859	AUCPQRQHOWMBOX-UHFFFAOYSA-N	516.019	3.942	0	20	KHAD	
COc1ccc(-c2nc(CC(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)cs2)cc1OC	514291206	AXKWTMRXPPTVQC-UHFFFAOYSA-N	524.643	3.682	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514294424	ZJWSUUNZSWSQFG-KRWDZBQOSA-N	545.687	3.845	0	20	KHAD	
CCCCCN(C(=O)c1cccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c1)c1c(O)nc(=O)n(CCCC)c1N	514296033	NWICKDKLKIHUHW-UHFFFAOYSA-N	651.790	3.791	0	20	KHAD	
CCn1c(SCC(=O)N2CCCc3cc(OC)ccc32)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514299299	KDVGAGJWUVJNSM-UHFFFAOYSA-N	541.699	3.830	0	20	KHAD	
CCOc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1S(=O)(=O)N1CCCCC1	514300499	WWTPEMDZJNHZJZ-UHFFFAOYSA-N	555.744	3.677	0	20	KHAD	
Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(CN3CCCC3)n2-c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1	514294428	ZKZDYFNOOIBXMW-HXUWFJFHSA-N	605.186	3.965	0	20	KHAD	
Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)CC1	514302009	KPMIJLUHVBIJDL-QHCPKHFHSA-N	534.122	3.828	0	20	KHAD	
CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2)cc1	514392044	SPQUWCYUFARXMR-SSPYTLHUSA-N	548.687	3.559	0	20	KHAD	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1	514393434	AUYIWIRFINCZGM-JPYJTQIMSA-N	536.658	3.630	0	20	KHAD	
Cc1cnc(Cl)c(C(=O)N[C@H]2CCc3nc(NC(=O)c4sc5nccnc5c4N)sc3C2)c1	1815252673	OEVLVOQVLFWWQS-JTQLQIEISA-N	500.009	3.626	0	20	KHAD	
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O	514291102	BUXWUTVGXPHNNT-KRWDZBQOSA-N	503.477	3.569	0	20	KHAD	
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)N2CCCC2)cc1	514292152	LXFLCTPGDDWTBY-HXUWFJFHSA-N	556.548	3.873	0	20	KHAD	
CCOc1c(Cl)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1OC	514295778	KPHDNRPFJXAWKF-UHFFFAOYSA-N	523.858	3.718	0	20	KHAD	
Cc1cccc(N2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4[C@H]3CCS(=O)(=O)C3)CC2)c1C	514300189	UWKQXWAOTPLDTC-NRFANRHFSA-N	507.660	3.556	0	20	KHAD	
CCCCN(C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1c(O)nc(=O)n(CC(C)C)c1N	514378284	DYPQQWJZDSFRMK-BGYRXZFFSA-N	527.666	3.802	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1cc2ccccc2s1	514401863	HGIQSUAXKIBEQR-SFHVURJKSA-N	501.630	3.765	0	20	KHAD	
Cc1cc(C)n2c(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)nnc2n1	15277534	RSXGEHMONNUABD-UHFFFAOYSA-N	509.057	3.690	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(Nc2ccc(C)cc2)s1)c1c(O)nc(=O)n(CCC)c1N	514291319	FBGMZJAEDZHNFJ-UHFFFAOYSA-N	503.654	3.770	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)[C@@H](C)c1ccc(-n3cncn3)cc1)n2CC	514384884	VNHPIDUGTGZULA-FQEVSTJZSA-N	537.690	3.820	0	20	KHAD	
COc1cc(-c2nnc(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)n2-c2ccccc2F)cc(OC)c1OC	514291857	HQWAKHQMBAJNRC-IBGZPJMESA-N	592.715	3.863	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)CC2)cc1	514379914	FCEPCUUFGANJLR-UHFFFAOYSA-N	655.639	3.861	0	20	KHAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nnc(-c3cc4c(s3)CC[C@H](CC)C4)n2C)c(O)nc1=O	514386163	GHJHLZRGWLXKDD-HNNXBMFYSA-N	545.735	3.848	0	20	KHAD	
CCOCCCn1c(SC[C@H](O)COc2ccc(C(=O)OC)cc2OC)nc2cc(Cl)ccc2c1=O	514401537	YMTAJDJMXZLWIX-GOSISDBHSA-N	537.034	3.804	0	20	KHAD	
CCn1c(CSc2nc3ccccc3c(=O)n2CCCOC(C)C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514294426	ZKRRBMSYTZFTQE-UHFFFAOYSA-N	585.752	3.894	0	20	KHAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)N3CCN(c4ccccc4F)CC3)nc(=O)c2c1C	514294934	DYRBXVBDGCGELF-UHFFFAOYSA-N	518.636	3.581	0	20	KHAD	
COc1ccc(NC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1S(=O)(=O)N1CCCCC1	514378156	SUEUMZFBOBZAEC-NBGIEHNGSA-N	533.647	3.538	0	20	KHAD	
Cc1sc2nc(CS[C@H](C)C(=O)N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)nc(O)c2c1C	514379873	VYKMUWGZBWHHJE-OAHLLOKOSA-N	585.571	3.931	0	20	KHAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514393038	LQXQBMMWGSUKFO-LJQANCHMSA-N	541.674	3.674	0	20	KHAD	
Cc1cc(-c2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cnsn3)CC4)n[nH]2)ccc1Cl	1815841614	IQCSFODPJMQVRD-GFCCVEGCSA-N	500.009	3.886	0	20	KHAD	
O=C(c1ccc2c(=O)n3c(nc2c1)CCC3)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	514297813	XVLVVBIFWWYXBF-UHFFFAOYSA-N	574.503	3.527	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(Br)c(OCC)c(OC)c1	514377065	KNWNSFNRTOATJE-UHFFFAOYSA-N	543.436	3.528	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514377898	NTIZPCRAEQRNJO-UHFFFAOYSA-N	613.766	3.866	0	20	KHAD	
CCCCn1c(N)c(N(C(=O)CSc2nnc(NC3CCCCC3)s2)C2CCCC2)c(O)nc1=O	514378145	ADTGDURELVXHAP-UHFFFAOYSA-N	521.713	3.995	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c(O)nc1=O	514381037	ZKJCVERVTPKNGU-UHFFFAOYSA-N	564.691	3.724	0	20	KHAD	
COCCn1c(S[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2scc(-c3ccccc3Cl)c2c1=O	514388954	WGMCPMIQOVAXBX-HUUCEWRRSA-N	556.131	3.551	0	20	KHAD	
O=C(Nc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1)NC1CC1	514402616	PSBAAKDOQASCID-ZDUSSCGKSA-N	527.466	3.834	0	20	KHAD	
Cc1ccc(-n2ccnn2)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cnc(Cl)s2)CC3)c1	1823859407	SRMYEZBHMDXILT-GFCCVEGCSA-N	500.009	3.682	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1CC)c1c(O)nc(=O)n(CCCC)c1N	514291838	JGWIPPBQHSZLCO-UHFFFAOYSA-N	513.668	3.843	0	20	KHAD	
CCCn1c(CCC(=O)NCCc2ccc(OCC)c(OCC)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292243	JGXLKNKKHHUCCC-UHFFFAOYSA-N	572.728	3.556	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCO1)c1c(O)nc(=O)n(CC(C)C)c1N	514375465	QXROHBBDPQBJME-OAQYLSRUSA-N	585.731	3.559	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	514376280	FYTAYAHPVDMSDI-QFIPXVFZSA-N	516.664	3.896	0	20	KHAD	
CCOC(=O)c1c(NC(=O)COc2ccccc2C(=O)N2CCCCC2)sc(C(=O)N(C)C)c1C	514376923	TVGVXWHZKGGLRH-UHFFFAOYSA-N	501.605	3.579	0	20	KHAD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cc2csc(-c3cccs3)n2)CC1	514382766	DMBIJBQUZGJLIW-UHFFFAOYSA-N	545.756	3.979	0	20	KHAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)c(O)nc1=O	514385693	RGVFKPFQMZTBMM-UHFFFAOYSA-N	548.566	3.897	0	20	KHAD	
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514301378	YWKAPXWXNMQMHY-KRWDZBQOSA-N	521.565	3.906	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)CC2)cc1OC	514381594	KNGLSPCOWUEUNC-UHFFFAOYSA-N	673.654	3.675	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1	514383891	HKEJNYANDRUGMJ-UHFFFAOYSA-N	562.541	3.741	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Sc2nnc(N3CCOCC3)n2-c2ccccc2)c1	514299982	JTMYRROAOGQREY-SFHVURJKSA-N	579.148	3.907	0	20	KHAD	
CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1	514300982	UKNPAVZCKOFWPC-JOCHJYFZSA-N	561.546	3.700	0	20	KHAD	
CCCn1c(CCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514392123	RCJWLCUNEDQVCS-MHZLTWQESA-N	552.676	3.942	0	20	KHAD	
CSc1ncccc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(Cl)cc3nn[nH]c13)CC2	1820980703	UKDDVJPAWBZSNY-LLVKDONJSA-N	500.009	3.724	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCC[C@@H](C)C3)n2[C@H](C)COC)c1	514292340	KHQXBZPXWAFWPP-RTBURBONSA-N	523.725	3.534	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	514295672	JFMKMZAWVRKVCW-UHFFFAOYSA-N	595.596	3.830	0	20	KHAD	
O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514378227	CBFBNMGYXAKNLP-UHFFFAOYSA-N	500.495	3.786	0	20	KHAD	
COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[C@@H]2c2ccccc2OC)cc1	514378810	XWIBETOUIWNKQT-QCDSWUKFSA-N	609.701	3.856	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nnc(COc2ccc(OC)cc2)n1-c1ccccc1F)[C@@H]1CCS(=O)(=O)C1	514389063	XYCJBZRYDOVAJF-ZWKOTPCHSA-N	548.662	3.510	0	20	KHAD	
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1	514400919	FAQMDSVUGRMZPB-UHFFFAOYSA-N	515.632	3.512	0	20	KHAD	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1	514404071	XOLWLDJJGFPCBU-LJQANCHMSA-N	501.674	3.819	0	20	KHAD	
C[C@H](Cn1c(=O)nc(Nc2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O	222146424	SKZQFKBIJUXXCG-MRXNPFEDSA-N	507.934	3.758	0	20	KHAD	
C[C@H](NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)[C@@H]1C[C@H]2CC[C@H]1C2	514293961	YDTPAPOTDHVBPU-NTLWEQJWSA-N	504.678	3.944	0	20	KHAD	
COc1ccc(OC)c(S(=O)(=O)N2CCN([C@@H](C)c3nc(O)c4c5c(sc4n3)C[C@H](C)CC5)CC2)c1	514401549	YUHDRRIARVHWCN-CVEARBPZSA-N	532.688	3.606	0	20	KHAD	
CC(C)[C@@H](Sc1nc2ccccc2c(=O)n1CCC1=CCCCC1)C(=O)N[C@@H]1CCS(=O)(=O)C1	514403412	UXVZEZZYPZKIRM-DENIHFKCSA-N	503.690	3.707	0	20	KHAD	
Cc1cccc(Cl)c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)nc4sccn34)sc2C1	1821155833	OUEGWUXMAUDLGB-GFCCVEGCSA-N	500.005	3.714	0	20	KHAD	
CCC[C@H](C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1OC[C@@H](n2ccc(=N)nc2O)O1)Oc1ccc(Br)cc1	2048541437	JBYKMODFCUCTGY-QXKKXURQSA-N	589.380	3.616	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nc3sc4c(c3c(=O)n2CCOC)CCCC4)oc(C)c1C(C)=O	514300135	KLQRKBKRMKZDFI-UHFFFAOYSA-N	547.655	3.995	0	20	KHAD	
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)c2)C[C@@H](C)O1	514377517	YUMHPZXHXGQXQM-IAGOWNOFSA-N	531.034	3.993	0	20	KHAD	
CCOc1ccccc1-c1nnc(SCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)o1	514383765	JQOOWDFMTODYOY-UHFFFAOYSA-N	529.644	3.818	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514395618	OOPIODRLUHYPSI-XMSQKQJNSA-N	541.699	3.870	0	20	KHAD	
CCCn1c(SCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)nc2ccccc2c1=O	514402383	HNWKFZUZXLBEEF-UHFFFAOYSA-N	547.603	3.700	0	20	KHAD	
CCCCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)nnc12	514293022	QPQOSHFVUFNJDY-UHFFFAOYSA-N	605.142	3.640	0	20	KHAD	
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC	514380725	OEZYJQTZERXNMM-UHFFFAOYSA-N	529.446	3.928	0	20	KHAD	
COc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)cc1S(=O)(=O)N1CCOCC1	514389239	DLBRDNULCAHTHH-KRWDZBQOSA-N	515.657	3.568	0	20	KHAD	
CCCCn1c(SCC(=O)Nc2sc(C(=O)NC)c(C)c2C(=O)OCC)nc2cc(S(=O)(=O)N(C)C)ccc21	514293510	VJTKIQXUTCXBBO-UHFFFAOYSA-N	595.769	3.724	0	20	KHAD	
CC[C@H](c1nnc(S[C@H](C)C(=O)c2ccc(Br)cc2)n1CCN1CCOCC1)N(C)C	514375961	XSFQHUCTZPFSKI-VQIMIIECSA-N	510.502	3.749	0	20	KHAD	
CCCn1c(C)cc(-c2csc(NC(=O)CCC(=O)N(CCOC)c3c(O)nc(=O)n(CC(C)C)c3N)n2)c1C	514376637	DGIILNSXMGSCPQ-UHFFFAOYSA-N	573.720	3.537	0	20	KHAD	
C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	514383551	GLRMEINDPBMOIA-HNNXBMFYSA-N	500.468	3.890	0	20	KHAD	
CCCNC(=O)CN(C)C(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C1CCCCC1	514383619	HNOWVKDSXKNVGY-UHFFFAOYSA-N	519.668	3.553	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(N3CCOCC3)n2Cc2ccco2)sc2c1CC[C@H](C)C2	514393417	AHKHNLZBZUKCPB-INIZCTEOSA-N	545.687	3.850	0	20	KHAD	
CC(C)CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)N3CCN(c4ccccc4O)CC3)nnc12	514395536	MTRJQVFRKITKSK-LJQANCHMSA-N	520.659	3.625	0	20	KHAD	
CCCCN1C(=O)CC[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)[C@@H]1c1ccccc1OC	514400900	DPSFRZFRPAOEKE-FIPFOOKPSA-N	573.712	3.833	0	20	KHAD	
COc1cc(Cl)c(C)cc1-n1c(S[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)nc2ccccc2c1=O	514402716	RLCKVMCXVGEXIP-KSFYIVLOSA-N	550.102	3.776	0	20	KHAD	
O=C(O)c1cc(C(=O)O)cc(-n2cc(-c3cc(-c4cn(-c5cc(C(=O)O)cc(C(=O)O)c5)nn4)cc(-c4cn(-c5cc(C(=O)O)cc(C(=O)O)c5)nn4)c3)nn2)c1	224362968	VOFGPCJRECZJLV-UHFFFAOYSA-N	771.615	3.619	0	20	KHAD	
CCOc1cc(-c2nnc(SCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)o2)cc(OCC)c1OCC	514293607	WIUQOTOKROYTOZ-UHFFFAOYSA-N	576.697	3.558	0	20	KHAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CCCC)c(O)nc1=O	514297414	VZRLECHLWRPQSS-UHFFFAOYSA-N	603.790	3.743	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)c12	514384201	QKODXLOFINEBQB-OALUTQOASA-N	514.673	3.860	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	514388908	VBXWIXRJZVMWMB-IEBWSBKVSA-N	502.637	3.649	0	20	KHAD	
CCn1c(SCC(=O)N(C)Cc2ccc(F)cc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514294373	XTWUNTUVYSFAJI-UHFFFAOYSA-N	517.652	3.639	0	20	KHAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3	514295764	GXONDBHZKGBAFS-UHFFFAOYSA-N	523.615	3.821	0	20	KHAD	
CCCn1c(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514297559	UNXFXHUSGQDZPX-UHFFFAOYSA-N	540.564	3.937	0	20	KHAD	
Cc1cccc(-n2c(SCC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2)c1	514300124	KHAWBGJLFAMNAV-XZOQPEGZSA-N	526.684	3.530	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1	514379944	FPSQWYHFBZTDEQ-UHFFFAOYSA-N	567.730	3.552	0	20	KHAD	
CC(=O)N1CCN(C(=O)[C@@H](C)Sc2nc3scc(-c4ccc(C)cc4)c3c(=O)n2C[C@@H]2CCCO2)CC1	514395074	BTVFNFFDLDETRW-NQIIRXRSSA-N	540.711	3.784	0	20	KHAD	
C[C@H](SCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccccc1Br	514395916	XAZFZPJSTAGTFT-INIZCTEOSA-N	529.478	3.609	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2cccc(C(=O)NCC)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514400828	BOHHZNVYNSCCCL-UHFFFAOYSA-N	525.675	3.942	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(O)nc1=O	514297437	ZGTDRADFGBHTRP-UHFFFAOYSA-N	604.129	3.627	0	20	KHAD	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCCCC2)c2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1	514376416	LJBGXWGNMFZZDA-UHFFFAOYSA-N	510.660	3.617	0	20	KHAD	
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1	514377192	MLMZCJXKDPLMKQ-UHFFFAOYSA-N	513.447	3.555	0	20	KHAD	
COc1ccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	514377271	PRCYVOCXNOBWFQ-ROUUACIJSA-N	501.649	3.689	0	20	KHAD	
Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(S(=O)(=O)N5C[C@@H](C)O[C@H](C)C5)cc4)CC3)c2c1C	514383942	HYRVBFRZWAKRGF-IAGOWNOFSA-N	543.715	3.961	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCCCC3)CC2)c(C(=O)OC)c1C	514291007	CKZKWDPEXMVXGN-UHFFFAOYSA-N	563.698	3.659	0	20	KHAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1	514295725	GKWVVOWWGZCCJS-KRWDZBQOSA-N	528.631	3.578	0	20	KHAD	
COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CSc3nc4ccccc4c(=O)n3C3CCCCC3)nc(=O)c12	514383904	NKSOQBPTYMJOMV-UHFFFAOYSA-N	554.650	3.994	0	20	KHAD	
COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C1CCN(S(=O)(=O)c3c(C)noc3C)CC1)CC2	514388607	QULUIYGHEAWNOB-XMMPIXPASA-N	545.683	3.945	0	20	KHAD	
O=C(CN1CCN(C(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1)N1CCCCCC1	514389973	UDLJYOOKVFFXJA-UHFFFAOYSA-N	520.718	3.680	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1	514390019	VHUMLXBHJQHYQQ-UHFFFAOYSA-N	538.670	3.828	0	20	KHAD	
CCn1c(CSc2nc3ccsc3c(=O)n2C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514391803	QRYZPHXGRNROJH-UHFFFAOYSA-N	503.675	3.832	0	20	KHAD	
C[C@H](Sc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1	514395399	JMJXDDSKQIWHGZ-LRQRDZAKSA-N	557.076	3.980	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(Br)c2)o1)c1c(O)nc(=O)n(CC(C)C)c1N	514402542	CCPNUFZGORRGDT-UHFFFAOYSA-N	551.467	3.925	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)oc(C)c1C(C)=O	514403075	QWTKKDYNCBVCIO-INIZCTEOSA-N	513.572	3.587	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1	514292735	PVFCPUAYEXSSEM-UHFFFAOYSA-N	638.816	3.610	0	20	KHAD	
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl	514297262	RAOMACVDWLMFHD-OYHNWAKOSA-N	592.542	3.882	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc3n(-c4cc(C)ccc4C)c(=O)c4ccccc4n23)CC1	514375952	XRMRDYAMMZHVOU-IBGZPJMESA-N	533.654	3.933	0	20	KHAD	
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1	514379224	PVHSNLSFINSCEJ-UHFFFAOYSA-N	553.710	3.774	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1S(=O)(=O)N1CCCCC1	514386413	OCLCZHZMZAVCAV-UHFFFAOYSA-N	505.666	3.795	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OCc3cscn3)c2)c1	514389792	MRUUGNKSVOZIAW-UHFFFAOYSA-N	530.672	3.842	0	20	KHAD	
C[C@@H]1C[C@@H](C)CN(c2nnc(SCC(=O)NCc3ccccc3CN3CCOCC3)n2Cc2ccco2)C1	514394198	IWWDILSIDZJJIW-FGZHOGPDSA-N	538.718	3.642	0	20	KHAD	
O=C(Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1)NC1CC1	514404175	AYUHRKFMLKORIY-UHFFFAOYSA-N	527.466	3.834	0	20	KHAD	
N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12	1857791294	AEWOSKYFHUUYCA-YUFFBROASA-N	758.080	3.693	0	20	KHAD	
CCOc1ccc(NC(=O)C2CCN(C(=O)CSc3ncnc4ccccc34)CC2)cc1S(=O)(=O)N1CCCC1	514295540	IHXUPFOFWHKSAP-UHFFFAOYSA-N	583.736	3.782	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccccc2N2CCCCC2)c(C(=O)OC)c1C	514297380	SPJFAOBABQNNSO-SFHVURJKSA-N	583.754	3.659	0	20	KHAD	
O=S(=O)(c1ccc(N2CCN(Cc3nc(O)c4ccccc4n3)CC2)nc1)N1CCC(Cc2ccccc2)CC1	514392637	ZGEKVYKXJUWABA-UHFFFAOYSA-N	558.708	3.696	0	20	KHAD	
O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	514402081	DUHBXZSWNUIRBR-UHFFFAOYSA-N	595.216	3.652	0	20	KHAD	
O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514404709	JMJGXFBJVJZHQE-UHFFFAOYSA-N	564.875	3.522	0	20	KHAD	
CCCCN(C(=O)CSc1nc2sc(C)c(CC)c2c(=O)n1C[C@@H]1CCCO1)c1c(O)nc(=O)n(CC(C)C)c1N	514405448	WOFIITJNYREJBY-SFHVURJKSA-N	604.799	3.934	0	20	KHAD	
C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514291075	CSYIOSCARIUEKK-ROUUACIJSA-N	579.148	3.684	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1CCC)c1c(O)nc(=O)n(CCC)c1N	514291627	HQYLQIXNQBPIQL-UHFFFAOYSA-N	513.668	3.843	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCc1cccc3cccnc13)n2CC	514394411	MKDXOJMJBRFQHR-UHFFFAOYSA-N	507.660	3.926	0	20	KHAD	
O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514401484	WHUMVJGVYUKRRA-UHFFFAOYSA-N	565.570	3.963	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cn3)n2[C@H](C)COC)c1	514298591	BLHXFZFVZNBRAZ-MRXNPFEDSA-N	553.110	3.962	0	20	KHAD	
CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)c1nnc2ccccn12	514298638	DHBKRXDRNVHKAE-IBGZPJMESA-N	526.059	3.533	0	20	KHAD	
O=C1CSc2cc(C(=O)N[C@H]3CCc4nc(NC(=O)c5ccc(Cl)cn5)sc4C3)ccc2N1	1820428330	GANFADHJTNBBEQ-ZDUSSCGKSA-N	500.005	3.775	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(-c2ccccc2Br)o1)c1c(O)nc(=O)n(CC(C)C)c1N	514376328	IGFSHUQUDYTLRW-UHFFFAOYSA-N	551.467	3.781	0	20	KHAD	
CN(C)C(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)cc1	514292980	PSUJXHQAWKHCGF-GOSISDBHSA-N	526.684	3.948	0	20	KHAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1CCN(S(=O)(=O)c2ccccc2F)CC1	514295072	ACAPCBKIFXTTIS-UHFFFAOYSA-N	544.070	3.693	0	20	KHAD	
O=C(COc1ccccc1C(=O)NCCCN1CCCCCC1=O)Nc1ccc(Br)cc1	514295126	HAJVDAFYPDJTPC-UHFFFAOYSA-N	502.409	3.989	0	20	KHAD	
COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)CCC(=O)N2c2ccc(OC)cc2)cc1	514296944	TVVMWEMMYYQKQP-VIZCGCQYSA-N	609.701	3.856	0	20	KHAD	
CCOc1ccc(-n2c(SCC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)nnc2-c2cccc(OC)c2)cc1	514300171	KTRBEHUEKVYITE-RDGATRHJSA-N	586.736	3.628	0	20	KHAD	
O=C(CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1	514301284	YAYNENYHLCSYJC-UHFFFAOYSA-N	528.679	3.531	0	20	KHAD	
C[C@@H](c1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n1-c1ccc(F)cc1)N(C)C	514376031	ZTFMGFULMKQIBQ-KRWDZBQOSA-N	532.667	3.544	0	20	KHAD	
CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)c1nnc2ccccn12	514383172	ZTZIFPZEMYOHHP-QFIPXVFZSA-N	529.732	3.974	0	20	KHAD	
CCOc1ccc(NC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1S(=O)(=O)N(C)C	514385645	PGUCTXXUJDOEFG-MHLWUJJFSA-N	505.681	3.631	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1	514390977	XESAEMIXJNLMII-OAQYLSRUSA-N	530.666	3.947	0	20	KHAD	
CC(C)CN(C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1	514291129	DVEMZGWOUDLWSZ-FQEVSTJZSA-N	546.633	3.568	0	20	KHAD	
CC1CCC(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccc(F)cc2)CC1	514374459	BXAIRQWSCADYTC-UHFFFAOYSA-N	587.743	3.940	0	20	KHAD	
Cc1ccc(-n2c(SCC(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)nnc2N2CCCC2)cc1	514386021	ATUQWCHPZKCIPC-QFIPXVFZSA-N	517.721	3.616	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1c(C(=O)N3CCOCC3)oc3ccccc13)n2CC	514388996	WZIZGWQMHSTLOZ-UHFFFAOYSA-N	581.695	3.877	0	20	KHAD	
COc1cccc(NCc2nnc(S[C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2C2CCCCC2)c1	514405819	ZYPIOCBCJZOTBR-YLJYHZDGSA-N	521.709	3.530	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	514291313	DDDRMXXLTGANGG-ROUUACIJSA-N	587.724	3.822	0	20	KHAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)c(O)nc1=O	514294699	AJHDJIQXLIRFQW-UHFFFAOYSA-N	557.692	3.814	0	20	KHAD	
O=C(CSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)NCC1CCCCC1	514294811	BMEZFGZYEADABI-UHFFFAOYSA-N	531.700	3.748	0	20	KHAD	
CC[C@@H](C)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1	514374740	GGVXZFPTIJXBLM-LJQANCHMSA-N	535.736	3.868	0	20	KHAD	
CCOc1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)cc1S(=O)(=O)N1CCCCC1	514383046	FIBSQMUJWRZIKO-UHFFFAOYSA-N	503.646	3.727	0	20	KHAD	
COc1ccccc1CN(Cc1cccs1)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1	514387663	HULUQRUOZRTTFE-UHFFFAOYSA-N	503.646	3.991	0	20	KHAD	
O=C(NC1CCN(C(=O)c2ccco2)CC1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514394002	FBVHILFXPHQDPA-UHFFFAOYSA-N	547.983	3.774	0	20	KHAD	
COCCCn1c(SCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)nc2cc(Cl)ccc2c1=O	514395842	VIYWHEHWBQCQKH-UHFFFAOYSA-N	529.062	3.731	0	20	KHAD	
CCCn1c(CCC(=O)N(C)Cc2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514379582	ABQDSTSVEYBIJY-UHFFFAOYSA-N	526.659	3.593	0	20	KHAD	
CCOc1c(Br)cc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1OC	514382139	HPFVQRDTHFZTET-UHFFFAOYSA-N	504.425	3.870	0	20	KHAD	
CCN(C(=O)CN(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514387804	RCYQJPJYEZVKOD-HSZRJFAPSA-N	515.079	3.719	0	20	KHAD	
Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CCC(C)C)n([C@H]2CCS(=O)(=O)C2)n1	514391566	MWCWFCPKSRIOOW-KRWDZBQOSA-N	538.095	3.691	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1	514401773	DKGGOSJBKURMPN-SFHVURJKSA-N	513.538	3.570	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1	514403419	VBWFYACPXSEFQY-UHFFFAOYSA-N	633.620	3.900	0	20	KHAD	
Cc1noc(C)c1CSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	514297443	ZJBWSQRRTFITOA-UHFFFAOYSA-N	529.640	3.502	0	20	KHAD	
Cc1cc(C)c(NC(=O)CNC(=O)CNc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(C)c1	514302391	DOSXAPWLXBXCGX-UHFFFAOYSA-N	500.665	3.732	0	20	KHAD	
CCCCN(C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CCC)c1c(O)nc(=O)n(CCCC)c1N	514378396	FEVFDVMFUNUEAC-UHFFFAOYSA-N	603.790	3.887	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1	514388874	UNCBKBNMJISJTC-QAPCUYQASA-N	517.698	3.841	0	20	KHAD	
COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3N(C)C)CC2)c2ccccc12	514402547	CJRLXAWQHDTSCE-UHFFFAOYSA-N	538.670	3.656	0	20	KHAD	
CCCn1c(CCC(=O)NCC(C)(C)N2CCCCC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514402667	KFFGHILLUIUAPI-UHFFFAOYSA-N	503.713	3.544	0	20	KHAD	
CCCCn1c(CCC(=O)NCCc2csc(C)n2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514402836	FWDCUTLQQHWGCP-UHFFFAOYSA-N	505.710	3.923	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CCCNC(=O)c2ccc(F)cc2F)c1	514404471	DYSTVIUZLLNCAJ-UHFFFAOYSA-N	511.591	3.931	0	20	KHAD	
COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(C)=O)nc3=O)[C@@H](F)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	255980892	JIFNUYITABZZQS-SYKYGTKKSA-N	589.620	3.824	0	20	KHAD	
Cc1c(-c2ccccc2)sc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1C(=O)N1CCOCC1	514294271	YRHKSQXBBIQTNB-BGYRXZFFSA-N	509.628	3.700	0	20	KHAD	
COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)CC2	514388160	VQRJYOWRNIPHQT-RXFWQSSRSA-N	518.701	3.671	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)NCCOc2cccc(C)c2)nnc1-c1ccc(OC)c(OC)c1	514395870	WDDIZJIFKZIIPJ-IBGZPJMESA-N	514.648	3.983	0	20	KHAD	
Cn1ccc(=O)cc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4c(Cl)cncc4s3)sc2C1	1815846974	RVRBDFQBZZJIAO-NSHDSACASA-N	500.005	3.645	0	20	KHAD	
O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1	514379186	OSENYPKUUZBWLQ-UHFFFAOYSA-N	605.760	3.917	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)c1	514384455	SEQVBJWSGPFVFY-UHFFFAOYSA-N	525.668	3.748	0	20	KHAD	
C[C@@H](Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)C(=O)NC(c1ccccc1)c1ccccc1	514393323	WUCUYIFPAKGAST-NFBKMPQASA-N	507.660	3.680	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1	514402058	KZUFVPXUIKHKQM-UHFFFAOYSA-N	500.042	3.917	0	20	KHAD	
CCCCN(C(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1C)[C@H]1CCS(=O)(=O)C1	514293032	RBUXNQYVAMYNDT-KRWDZBQOSA-N	505.687	3.570	0	20	KHAD	
CCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N(CC)CC	514300992	UUPOPKAAJSHTJL-FQEVSTJZSA-N	589.740	3.658	0	20	KHAD	
C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	514303852	PMMBXENMSULBKI-LBPRGKRZSA-N	509.959	3.894	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4ccc(OC)c(F)c4)cs3)CC2)c(C(=O)OC)c1C	514384339	OMLCIFZRQWHLFR-UHFFFAOYSA-N	611.695	3.940	0	20	KHAD	
COc1cc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1OC(F)F	514405228	SMJXRWMAJVCQTI-BQFCYCMXSA-N	515.538	3.987	0	20	KHAD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514378317	FLZVRKPIQZGWKG-UHFFFAOYSA-N	555.484	3.840	0	20	KHAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(OC(F)F)cc3)c12	514384701	SORZJUJJWNRSJE-QGZVFWFLSA-N	504.559	3.850	0	20	KHAD	
CN(C)S(=O)(=O)c1ccc(OCCSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1	514405599	YEXLSBYELWKTEE-HXUWFJFHSA-N	506.625	3.685	0	20	KHAD	
Cn1cccc1C(=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4c(Cl)cncc4s3)sc2C1	1815847391	YXOJLNWPEAZJOO-NSHDSACASA-N	500.005	3.853	0	20	KHAD	
COc1ccc(CN2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccccc3Br)CC2)cc1F	514300144	KNQONPZTCASVMR-NRFANRHFSA-N	538.483	3.793	0	20	KHAD	
CCn1c(SCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514376003	ZAIAWTVGXOXOHX-NRFANRHFSA-N	591.781	3.502	0	20	KHAD	
COc1ccc(-c2nnc(SCC(=O)c3ccc(CCNS(C)(=O)=O)s3)n2CC(C)C)cc1	514389843	ORNYWMLBRJPWIH-UHFFFAOYSA-N	508.691	3.738	0	20	KHAD	
O=C(CCc1ccc(-c2ccccc2F)o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514387501	IKBMRKDCXHAOJE-UHFFFAOYSA-N	543.617	3.515	0	20	KHAD	
Cc1nc(N)sc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4ccc(Cl)cc4nn3)sc2C1	1816905617	WZROCYYTSSHSRT-GFCCVEGCSA-N	500.009	3.626	0	20	KHAD	
CCCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)nnc12	514290831	CEZPOVUHVYNQHB-KRWDZBQOSA-N	542.687	3.604	0	20	KHAD	
CCCCN(C(=O)Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)[C@@H]1CCS(=O)(=O)C1	514402935	HMMHORKPBSDKKR-QGZVFWFLSA-N	538.489	3.703	0	20	KHAD	
COc1ccc(-c2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n2C[C@@H]2CCCO2)cc1	514375181	LQOQIMCPXRYKIG-NRFANRHFSA-N	512.632	3.601	0	20	KHAD	
CC(C)CN1CCO[C@@H](CNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)C1	514385869	XNJXFPZRYSXJGP-NRFANRHFSA-N	501.056	3.548	0	20	KHAD	
Cn1c(SC[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)nnc1[C@H]1CCS(=O)(=O)C1	514388146	VPLAHDHFIBLRLX-RXVVDRJESA-N	501.674	3.575	0	20	KHAD	
CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N1CCN(c2nccs2)CC1	514393240	UDFMOPGMDFGKNK-OAHLLOKOSA-N	543.058	3.564	0	20	KHAD	
Cn1nccc1-c1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccncn4)sc3C2)sc1Cl	1817432565	SWAUWTSHGIRYOT-LLVKDONJSA-N	500.009	3.588	0	20	KHAD	
CCn1c(CCC(=O)Nc2ccccc2N2CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514290905	AXKYOLFKTFMFDI-UHFFFAOYSA-N	525.675	3.639	0	20	KHAD	
COCCn1c(SCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)nc2ccc(Br)cc2c1=O	514293327	SZWAGGQWNRYDMG-KRWDZBQOSA-N	568.515	3.558	0	20	KHAD	
O=C(CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	514293909	XGKMMZCHRGHGBB-WOJBJXKFSA-N	579.810	3.956	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1	514379762	YDWMSZVODALMIP-KRWDZBQOSA-N	518.661	3.804	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1	514382931	YPQRPYVOTMAIFG-HXUWFJFHSA-N	571.725	3.712	0	20	KHAD	
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	514383923	NQXUCZAQQOZWKX-OAQYLSRUSA-N	602.758	3.710	0	20	KHAD	
CCOc1ccc(CCC2CCN(C(=O)CCNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1	514391763	NXPGWVRUABBHKF-UHFFFAOYSA-N	501.649	3.584	0	20	KHAD	
CC(C)COC[C@H](O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1	514402326	OHEVKSHUMHOKQY-QHCPKHFHSA-N	552.763	3.987	0	20	KHAD	
NC(=O)CSc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3	514404706	JIZMPEPIJDFXQH-OAHLLOKOSA-N	544.724	3.824	0	20	KHAD	
C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514291605	HITMHNGNBRMDCJ-LBPRGKRZSA-N	549.984	3.542	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ncc(Cc4ccccc4)s3)CC2)c(C(=O)OC)c1C	514295817	KZPQNEVLEOWRPS-UHFFFAOYSA-N	577.706	3.716	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1	514374680	FQOZFIXWJZVIOZ-UHFFFAOYSA-N	515.661	3.915	0	20	KHAD	
C[C@H]1CCCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2[C@@H](C)c2ccccc2)C1	514375422	PUOYGBFNKIMQIJ-VXKWHMMOSA-N	569.753	3.926	0	20	KHAD	
C[C@@H](Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	514395452	LADVHKJMXAUHAK-AUSIDOKSSA-N	529.663	3.601	0	20	KHAD	
CCCCn1c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)nnc1[C@H](CC)N(C)C	514404515	GIOGGGVLAXVHFU-KRWDZBQOSA-N	517.121	3.725	0	20	KHAD	
Cc1ncc(/C=C/C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(Cl)cc5nn[nH]c45)sc3C2)s1	1821444574	LFCMFPWQFONJAW-OGOUPESXSA-N	500.009	3.772	0	20	KHAD	
O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	514293082	RNKIBZZPGRXTGO-OALUTQOASA-N	524.734	3.626	0	20	KHAD	
Cc1cccc(OCCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c1	514295543	IIBLENQDDUYAEH-UHFFFAOYSA-N	516.538	3.755	0	20	KHAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1	514299911	KJOCNSGIKPSZAG-UHFFFAOYSA-N	567.539	3.739	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1CCN1CCOCC1)N(C)C	514374464	CCUUEOCMMBZBGY-QFIPXVFZSA-N	554.765	3.837	0	20	KHAD	
CCCCCN(C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1c(O)nc(=O)n(CCCC)c1N	514375209	MJVOYABSJQFIPZ-LJQANCHMSA-N	570.716	3.536	0	20	KHAD	
C[C@H](Sc1nnc([C@H](C)N2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	514381845	UZDHAJIUFNJXQI-ROUUACIJSA-N	514.677	3.581	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl	514294984	FCAQRPOHNRUQAI-UHFFFAOYSA-N	501.026	3.569	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CSc1nnc(-c2ccco2)n1CC	514376690	FEWAOCGZSLCRJR-UHFFFAOYSA-N	507.638	3.718	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)n2C	514377350	RVQIFMNOCDOIKX-UHFFFAOYSA-N	578.533	3.704	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2ccc(F)cc2)c(O)nc1=O	514379032	LTYGXRXYNIFAEO-UHFFFAOYSA-N	688.779	3.691	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)N[C@H](c1ccccc1)c1ccccn1)c1c(O)nc(=O)n(CCCC)c1N	514379283	ORCWOTCOFDVLJT-RUZDIDTESA-N	534.661	3.935	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2cccc(S(C)(=O)=O)c2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514388292	NDGVGMVWEJKOFH-UHFFFAOYSA-N	534.704	3.842	0	20	KHAD	
C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3)C(=O)N1CCC(C(N)=O)CC1	514395855	VTWASLSJWNWEAC-AWEZNQCLSA-N	514.648	3.670	0	20	KHAD	
C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C(=O)NC(=O)NC1CCCCC1	514291925	KKIPKXPRSBJCCQ-MRXNPFEDSA-N	521.665	3.550	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)n1CCN1CCOCC1)N(C)C	514292584	LYRXDUCRYBXGSE-UZLBHIALSA-N	529.538	3.899	0	20	KHAD	
COc1ccc(-c2nc(CC(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cs2)cc1OC	514301000	VBPAEUJUUHDPBP-UHFFFAOYSA-N	508.644	3.770	0	20	KHAD	
C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2	514375084	KLCLRUCSAOMWIU-YKSBVNFPSA-N	613.762	3.530	0	20	KHAD	
O=C(CSc1nc2ccccc2n1CCc1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514383728	JEXFRLNQUZMCMV-YADHBBJMSA-N	513.685	3.566	0	20	KHAD	
CCCCN(C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1c(O)nc(=O)n(CCC)c1N	514389068	YBVYNPJLDODODC-UHFFFAOYSA-N	505.619	3.780	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(N3CCC[C@H](C)C3)n2Cc2ccco2)cc1	514393363	XYSUMYYEXKZHJA-IBGZPJMESA-N	546.719	3.917	0	20	KHAD	
CC(C)NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1	514401932	CFXMYXTXJZWOOI-HXUWFJFHSA-N	533.651	3.681	0	20	KHAD	
COc1ccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc1-n1nnnc1C	509972747	XGKBZRSSKUHHDE-OAQYLSRUSA-N	500.003	3.606	0	20	KHAD	
CCOc1cc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@@H]2CCCO2)ccc1OC(F)F	514296275	HCDNGNDUSWMOHX-SFHVURJKSA-N	537.585	3.903	0	20	KHAD	
O=C(C1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)CC1)N1CCCC1	514300554	YNZSARYLWCGTCZ-UHFFFAOYSA-N	500.024	3.923	0	20	KHAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CC1	514377580	AMFMGNKKGCAYKA-LJQANCHMSA-N	527.668	3.890	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)c1	514378180	AQPPWYKPTLOFDG-HXUWFJFHSA-N	609.568	3.977	0	20	KHAD	
CCN(CC)Cc1ccc(CNC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc1	514390297	FIYWZPAIFVEFMI-UHFFFAOYSA-N	525.719	3.839	0	20	KHAD	
COc1ccc(-c2nc(CN3CCN(C(=O)C4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)CC3)cs2)cc1	514392178	RVSWZSVFJJXZEU-UHFFFAOYSA-N	554.738	3.872	0	20	KHAD	
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccc(OC(F)F)cc1	514403777	PUCXRWOBSFSZTJ-INIZCTEOSA-N	510.559	3.727	0	20	KHAD	
CCCCn1c(CCC(=O)N2CCN(c3cccc(C)c3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514405252	UEAHIWRUTPDFBE-UHFFFAOYSA-N	511.692	3.677	0	20	KHAD	
Cc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1S(=O)(=O)NCc1ccccc1	514405545	XHXLEQGVPVINPW-HSZRJFAPSA-N	507.660	3.811	0	20	KHAD	
CCc1ccc(OCc2nnc(SCC(=O)N(CC)CC(=O)NC(C)C)n2Cc2ccccc2)cc1	514290872	AXBVHAZJXRXJJN-UHFFFAOYSA-N	509.676	3.933	0	20	KHAD	
CCCCn1c(CCC(=O)NCCc2ccc(OC(F)F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514301145	XGYFQEIMFZPHAG-UHFFFAOYSA-N	564.655	3.750	0	20	KHAD	
CCOC(=O)c1c(CC(C)C)csc1NC(=O)CSc1nnc([C@H](CC)N(C)C)n1CCN1CCOCC1	514374948	IRAYWCQEZPUNRK-FQEVSTJZSA-N	566.794	3.791	0	20	KHAD	
C[C@@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)C(=O)NC1CCN(Cc2ccccc2)CC1	514395562	NIMIOZQSOAFISP-HXUWFJFHSA-N	524.666	3.504	0	20	KHAD	
CSCC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514402285	NKQMDXZXBHFBTR-WSTZPKSXSA-N	542.123	3.750	0	20	KHAD	
CCOc1ccc(-n2c(S[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)C(C)C)nnc2-c2cccc(OC)c2)cc1	514302206	MPUBHZVVTJDDLE-CVDCTZTESA-N	544.699	3.762	0	20	KHAD	
O=C(CSc1nc2ccc(Cl)cc2o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514375205	MHHNLHQEHMHGIA-UHFFFAOYSA-N	537.063	3.833	0	20	KHAD	
COc1cc(-c2nnc(SCC(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)o2)cc(OC)c1OC	514385629	OOHNBYNZAONJIB-UHFFFAOYSA-N	595.600	3.656	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CSc1nnc(-c3ccc(F)cc3)n1C[C@@H]1CCCO1)n2C	514386423	OPOIHQNODIYCRJ-KRWDZBQOSA-N	513.599	3.505	0	20	KHAD	
C[C@@H](Sc1nc2ccc(Br)cc2c(=O)n1CCC1=CCCCC1)C(=O)N[C@H]1CCS(=O)(=O)C1	514387982	KYGAYJOPYDGOTN-QAPCUYQASA-N	554.532	3.833	0	20	KHAD	
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514388393	XVJKASOAKKRTQD-RPWUZVMVSA-N	514.047	3.930	0	20	KHAD	
COc1ccc(COC[C@@H](O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1OC	514388438	YJPSPTIEKDADRG-NHCUHLMSSA-N	503.596	3.950	0	20	KHAD	
COc1ccc(CN2CCCN(C(=O)CSc3n[nH]c(COc4ccc(Cl)cc4)n3)CC2)cc1	514395555	MYEWAYNTDOYECJ-UHFFFAOYSA-N	502.040	3.872	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3sc4c(c3C(=O)OC)CCC4)o2)c1	514292281	LKOZGYRJIPQPGU-UHFFFAOYSA-N	550.684	3.835	0	20	KHAD	
CC(C)CN(C(=O)COc1c(I)cc(Cl)c2cccnc12)[C@@H]1CCS(=O)(=O)C1	514293853	ZCSBKEWARVGGEV-CYBMUJFWSA-N	536.819	3.543	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1)[C@H]1CCS(=O)(=O)C1	514374410	BMOOOGSTWIPXGG-KRWDZBQOSA-N	513.085	3.609	0	20	KHAD	
C[C@@H]1CCN(C(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c2ccccc2S1	514381836	AFDZUSIUHNINQJ-HXUWFJFHSA-N	530.716	3.637	0	20	KHAD	
CC(C)n1c(SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)nnc1-c1ccc(Cl)cc1Cl	514383716	JCXOHCYJFUQRNL-UHFFFAOYSA-N	527.522	3.984	0	20	KHAD	
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514388392	XVJKASOAKKRTQD-DNQXCXABSA-N	514.047	3.930	0	20	KHAD	
CSc1ncccc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)nc3n[nH]cc13)CC2	1820975345	FOOKUBZFCGGWRK-JTQLQIEISA-N	500.009	3.724	0	20	KHAD	
CN(Cc1ccco1)C(=O)c1cn(C2CC2)c2cc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c(F)cc2c1=O	514377629	CLYUMYMTKPWSPF-UHFFFAOYSA-N	622.675	3.623	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(I)cc3C)CC2)cc1OC	514381329	AATQVOJMGHLUAI-UHFFFAOYSA-N	544.411	3.656	0	20	KHAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c(O)nc1=O	514382489	MWLGMQQEGWJTQE-UHFFFAOYSA-N	542.687	3.910	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(-c2ccco2)n1C	514386166	GKAASXJXCXGSON-UHFFFAOYSA-N	519.649	3.768	0	20	KHAD	
O=C(NCc1ccc(N2CCOCC2)nc1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	514404133	ZJOFMXISRTYZOS-UHFFFAOYSA-N	561.129	3.672	0	20	KHAD	
COCCN(C(=O)CCC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1c(O)nc(=O)n(CC(C)C)c1N	514404233	CTDGFEVHSRDANZ-UHFFFAOYSA-N	596.632	3.652	0	20	KHAD	
COCCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nnc1-c1ccncc1	514291277	DLVOYGUOUVMNBW-UHFFFAOYSA-N	522.553	3.573	0	20	KHAD	
CCOCCCn1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2cc(Cl)ccc2c1=O	514295395	ASYVALNXNYKKRG-SFHVURJKSA-N	595.143	3.617	0	20	KHAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1	514378459	FVMOCFPJSQEYSB-UHFFFAOYSA-N	528.549	3.973	0	20	KHAD	
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	514380326	MDCIISMMEHXBOZ-UHFFFAOYSA-N	556.468	3.653	0	20	KHAD	
COc1ccc(CCC2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)CC2)cc1	514381830	ABVJTUXUTNHDTL-UHFFFAOYSA-N	500.661	3.976	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)c1	514385705	RUZIIIYDABBUNZ-UHFFFAOYSA-N	537.704	3.576	0	20	KHAD	
O=C([C@@H]1CN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c2ccccc2O1)N1CCOCC1	514388157	PPVXKOOZFHFBIT-NRFANRHFSA-N	538.954	3.623	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(N3CCCC3)n2Cc2ccco2)oc(C)c1C(C)=O	514403342	YMPJZYOYWKPVDL-UHFFFAOYSA-N	501.565	3.531	0	20	KHAD	
CCn1c(S[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)nc2scc(-c3cccs3)c2c1=O	514404977	OZJMFYJRJXCZPP-SUMWQHHRSA-N	511.716	3.626	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)N(C)C)n2CCc2ccccc2)c1	514383061	FQBGBIASGDQLGO-LJQANCHMSA-N	515.705	3.787	0	20	KHAD	
COc1ccc(CN2CCN(C(=O)Cc3csc(COc4ccc(C)cc4)n3)CC2)c(OC)c1OC	514390590	QAAWWUGRRGEGOY-UHFFFAOYSA-N	511.644	3.943	0	20	KHAD	
CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	514404078	XYZMPKLXQCAVDQ-UHFFFAOYSA-N	533.050	3.837	0	20	KHAD	
Cn1c(CCC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514293679	VKRIXBOQJRYLLG-UHFFFAOYSA-N	552.484	3.742	0	20	KHAD	
CCCCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376241	DOYZCIXUHBIKJX-UHFFFAOYSA-N	548.687	3.605	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)C[C@@H](NS(=O)(=O)c2ccc(CNC(C)=O)cc2)c2ccc(OC)c(OC)c2)ccc1C	514380107	FILDTTJKGRWGQA-HHHXNRCGSA-N	660.815	3.727	0	20	KHAD	
CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1	514382940	CANXGUGGXYRDEJ-ZCYQVOJMSA-N	570.737	3.544	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Sc3nnc(Cc4cccs4)n3C3CC3)CC2)cc1	514395456	LAMRGKZAPQGRMK-GOSISDBHSA-N	531.729	3.587	0	20	KHAD	
Cc1cn2c(=O)c(C(=O)N[C@@H]3CCc4nc(NC(=O)c5ccccc5Cl)sc4C3)cnc2s1	1821888886	IWJDSHPRXKRZAL-GFCCVEGCSA-N	500.005	3.714	0	20	KHAD	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1	514301924	HYRGPLSNKAMUQR-FQEVSTJZSA-N	503.669	3.605	0	20	KHAD	
CCCCN(C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1c(O)nc(=O)n(CC(C)C)c1N	514378286	DYPQQWJZDSFRMK-WOJBJXKFSA-N	527.666	3.802	0	20	KHAD	
COC(=O)C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccc(OC)c(OC)c1	514389885	QFLRQRRFGVMJEQ-HXUWFJFHSA-N	533.419	3.739	0	20	KHAD	
CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n1CCN1CCOCC1)N(C)C	514291892	HYTAVCYFIXGCQS-RXVVDRJESA-N	529.736	3.866	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c1	514292689	OQTBOLGMQWNVGL-UHFFFAOYSA-N	507.678	3.672	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(CNC(C)=O)cc1)n2CC	514300981	UKBZTZRRIABEJU-UHFFFAOYSA-N	502.662	3.698	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1c(O)nc(=O)n(CC(C)C)c1N	514375284	MUJRXTSSCBXMBN-FQEVSTJZSA-N	573.695	3.545	0	20	KHAD	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccco1	514376777	RDPZASOGKPNWPR-BOFXEDATSA-N	529.688	3.634	0	20	KHAD	
COc1ccc(CN2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)CC2)cc1F	514383755	JPBAREZRPXLRTN-UHFFFAOYSA-N	525.646	3.733	0	20	KHAD	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)cc2)C1	514388351	XLNRSFYWFYOUBG-KDURUIRLSA-N	527.643	3.573	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21	514404020	WELOPLLAJLTZPH-UHFFFAOYSA-N	552.118	3.505	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nc3ccccc3c(=O)n2C(C)C)c1	514405686	YDCRLPBTZRJPAM-UHFFFAOYSA-N	518.661	3.747	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)c1c(O)nc(=O)n(CCCC)c1N	514295137	HDTVCWSVGOKTPM-DEOSSOPVSA-N	570.735	3.597	0	20	KHAD	
CCn1c(SCc2nnc(-c3ccc(Br)o3)o2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514374367	ARBGXJWIWLDDSY-UHFFFAOYSA-N	554.448	3.775	0	20	KHAD	
CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514375088	KMGZMKVVRDNIFY-WAOWUJCRSA-N	505.710	3.783	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1c(O)nc(=O)n(CCCC)c1N	514379321	QFJUJTCXPYORKR-OAQYLSRUSA-N	606.790	3.543	0	20	KHAD	
COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)CC2	514386818	DIGVNSHVFLJWTN-AFMDSPMNSA-N	546.736	3.990	0	20	KHAD	
Cc1nnsc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)sc2C1	1821578621	IHLCVWAVSNXRPB-LLVKDONJSA-N	500.009	3.886	0	20	KHAD	
CC[C@@H](C)n1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514291428	FCJOWSNSJHPHGI-QGZVFWFLSA-N	548.691	3.658	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1	514295160	BHDPMQLWARYMGC-UHFFFAOYSA-N	603.767	3.613	0	20	KHAD	
CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1	514380914	RBNGFZMTQVXALD-YADHBBJMSA-N	538.483	3.629	0	20	KHAD	
COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(-c3ccc(F)cc3)n1C[C@@H]1CCCO1)CC2	514381139	ZBKRTLMIKAKYCT-NRFANRHFSA-N	512.607	3.957	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)n1-c1ccc(OC)cc1)N(C)C	514389195	BUJQMUCHFAAUOI-HSZRJFAPSA-N	537.690	3.757	0	20	KHAD	
Cn1nccc1-c1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cnccn2)CC3)sc1Cl	1816060859	IHEQQGRWAPFXIF-LLVKDONJSA-N	500.009	3.588	0	20	KHAD	
O=C(CSc1nncn1-c1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O	11427299	KYIHBEOYKMMAPU-PDGQHHTCSA-N	500.005	3.866	0	20	KHAD	
CC(C)OCCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)nc2ccccc2c1=O	514292809	MKZPQIFWEHYBQM-UHFFFAOYSA-N	629.805	3.564	0	20	KHAD	
Nc1c(N(CCC2=CCCCC2)C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c(O)nc(=O)n1Cc1ccccc1	514297115	XHGKBZMWVDCLKK-XMMPIXPASA-N	597.672	3.892	0	20	KHAD	
CS(=O)(=O)c1ccc(F)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c1	514300321	OOGPGILMXZREKX-UHFFFAOYSA-N	542.960	3.941	0	20	KHAD	
O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514377567	AEEMWVYDCHNQFX-UHFFFAOYSA-N	504.914	3.805	0	20	KHAD	
C[C@@H](Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	514381827	UZDHAJIUFNJXQI-QZTJIDSGSA-N	514.677	3.581	0	20	KHAD	
Cc1c(C(=O)N2CCN(Cc3nc(O)c4c5c(sc4n3)CCCC5)CC2)cnn1-c1ccccc1F	514402256	MSTAHSOZPJOLSS-UHFFFAOYSA-N	506.607	3.867	0	20	KHAD	
CCCCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514402535	BXGYUTCEVDJJNP-UHFFFAOYSA-N	534.704	3.555	0	20	KHAD	
CCCCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)nnc12	514290836	CEZPOVUHVYNQHB-QGZVFWFLSA-N	542.687	3.604	0	20	KHAD	
C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514291073	CSYIOSCARIUEKK-QZTJIDSGSA-N	579.148	3.684	0	20	KHAD	
COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)ccc1OC(F)F	514297074	RPQHEUOINSZJFR-UHFFFAOYSA-N	525.574	3.560	0	20	KHAD	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1S(=O)(=O)N1CCCCC1	514381833	ACFHJEHRLOBZPB-UHFFFAOYSA-N	523.677	3.543	0	20	KHAD	
COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)cc2)c1C	514382743	CIIGDCATGUXOQE-UHFFFAOYSA-N	609.749	3.858	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CSc1nnc(NC[C@H]2CCCO2)s1	514390098	XQEWMQVBHBKJGX-QGZVFWFLSA-N	525.722	3.813	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(CCNC(C)=O)s1)n2CC	514390571	OZTZYMUQRSUITB-UHFFFAOYSA-N	522.718	3.802	0	20	KHAD	
COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	514391700	PHWGKWKDWMDUFW-RZUBCFFCSA-N	513.660	3.853	0	20	KHAD	
O=C(Cc1ccccc1)NCCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F	514392876	GHHQUVFOETYQEM-UHFFFAOYSA-N	541.592	3.880	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)o2)c1	514395821	USOVRZPQSFDIHV-SJORKVTESA-N	546.671	3.896	0	20	KHAD	
Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1S(=O)(=O)N(C)C	514291101	DMUWRDQJKFCOCS-UHFFFAOYSA-N	500.646	3.801	0	20	KHAD	
CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(C(=O)c4ccc(Br)cc4)CC3)CC2)cc1	514299633	HZJTZWAIKXRRMQ-UHFFFAOYSA-N	562.530	3.958	0	20	KHAD	
Cc1cc(-c2nnc(CN3CCN(S(=O)(=O)c4ccc(Br)cc4Cl)CC3)o2)c(C)o1	514300076	RXTDQSFLFRNMQE-UHFFFAOYSA-N	515.817	3.869	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(CCc4ccccc4)CC3)CC2)cc1OC	514403292	LGCZWVVZPIFTNM-UHFFFAOYSA-N	500.661	3.976	0	20	KHAD	
COc1cc2nc(SCC(=O)NCCCN3CCCC3=O)n(CCC3=CCCCC3)c(=O)c2cc1OC	514290887	COKUUFJRNVWBOS-UHFFFAOYSA-N	528.675	3.525	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1	514292177	MSOXSQMQCHHYDL-UHFFFAOYSA-N	590.768	3.513	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)CC2)cc1	514301853	FAWAOSWNMWEDKO-HSZRJFAPSA-N	505.706	3.747	0	20	KHAD	
CCc1c(C)sc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n(C[C@H]3CCCO3)c(=O)c12	514375976	YJAMJYGKFBWVKY-MRXNPFEDSA-N	501.630	3.645	0	20	KHAD	
CCCCN(C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1c(O)nc(=O)n(CC(C)C)c1N	514378285	DYPQQWJZDSFRMK-PMACEKPBSA-N	527.666	3.802	0	20	KHAD	
CC(C)n1ncc2c(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)cc(-c3ccc4c(c3)OCCO4)nc21	514388170	PUNYTVACAQIQQD-UHFFFAOYSA-N	527.629	3.527	0	20	KHAD	
CCn1c(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)nnc1-c1ccccc1	514389981	UIEMZGFYFIQNJF-UHFFFAOYSA-N	511.673	3.821	0	20	KHAD	
COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1S(=O)(=O)NC(C)(C)C	514402408	ILZDFBHZHLGQDI-UHFFFAOYSA-N	515.554	3.880	0	20	KHAD	
C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1	514402925	SXEQHHJXWIIWNJ-MRXNPFEDSA-N	507.450	3.924	0	20	KHAD	
COCCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cc(C(F)(F)F)ccc3OCCOC)nnc12	514375228	MWVZNHCNZMKAAW-UHFFFAOYSA-N	565.574	3.856	0	20	KHAD	
CCCCN(C(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1	514375868	XXYPGYIJWANOJQ-FQEVSTJZSA-N	592.139	3.793	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)N2CCc3ccccc32)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514375951	XQWONKZLJQJNCU-SFHVURJKSA-N	511.673	3.819	0	20	KHAD	
CC(C)CN(C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514377883	MRDKTCACWMMEOP-UHFFFAOYSA-N	607.655	3.688	0	20	KHAD	
COC(=O)[C@@H](CC(C)C)NC(=O)CN(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C	514387846	MFWICRFUJJEPPS-HSZRJFAPSA-N	524.662	3.503	0	20	KHAD	
COC(=O)CCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1	514390348	GYBNNUXPTCDUOB-UHFFFAOYSA-N	529.011	3.630	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c1	514402346	ONWINNUHLLKZDE-NRFANRHFSA-N	528.723	3.655	0	20	KHAD	
CCOc1cc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OCC(=O)N1CCCCC1	514404119	ZFUWJUOWTAFZBI-IBGZPJMESA-N	502.633	3.713	0	20	KHAD	
CSc1ncccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)nc4n[nH]cc34)sc2C1	1816064787	NTDDZGVAZBTULD-SNVBAGLBSA-N	500.009	3.724	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc(O)c2c3c(sc2n1)CCCC3)c1c(O)nc(=O)n(CC(C)C)c1N	514292375	KOFJERYHTWTZSG-UHFFFAOYSA-N	532.692	3.558	0	20	KHAD	
COc1ccc(NC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1S(=O)(=O)N1CCCCC1	514378152	SUEUMZFBOBZAEC-CPJSRVTESA-N	533.647	3.538	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514378996	KSDUOXAHPQVVES-UHFFFAOYSA-N	570.133	3.953	0	20	KHAD	
Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)o1	514393258	UTRUJEZOTCXZNB-SFHVURJKSA-N	509.592	3.599	0	20	KHAD	
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(C3CC3)n2CCC(N)=O)sc2c1CC[C@H](C)C2	514394781	SLFVWFUBUXJVLV-STQMWFEESA-N	505.666	3.513	0	20	KHAD	
COc1cccc(NCc2nnc(S[C@H](C)C(=O)N(C)CC(=O)NC3CC3)n2C2CCCCC2)c1	514395746	RZSBAVHAWCNUCV-QGZVFWFLSA-N	500.669	3.622	0	20	KHAD	
CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	757262095	KUMAEMSLGCWJMP-VXKWHMMOSA-N	502.658	3.969	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c3cc(Cl)ccc13)CC2)c1snnc1C1CC1	1817835501	XAWVRQPQKOYLIW-NSHDSACASA-N	500.009	3.941	0	20	KHAD	
CCCCN(C(=O)CSc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)[C@H]1CCS(=O)(=O)C1	514293033	OWRKTTAVZPSTGD-KRWDZBQOSA-N	500.086	3.614	0	20	KHAD	
CCCCCn1c(CCC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)nc2c1c(O)nc(=O)n2CCCC	514296733	UIAHRLBMSNKUGI-UHFFFAOYSA-N	584.699	3.932	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1ccc(OC[C@H]2CCCO2)cc1	514297628	VYEABZBQQZICKJ-HSZRJFAPSA-N	529.659	3.508	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3I)c12	514299677	NKFDMCGNDJELMX-AWEZNQCLSA-N	536.395	3.834	0	20	KHAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)NC[C@@H](c3ccccc3)N(C)C)nc(=O)c2c1C	514380339	IBCKTJPUVJUACJ-KRWDZBQOSA-N	502.662	3.512	0	20	KHAD	
CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1	514380813	RBNGFZMTQVXALD-VXKWHMMOSA-N	538.483	3.629	0	20	KHAD	
CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514290804	AEVLUYTWHCYXPC-UHFFFAOYSA-N	509.053	3.770	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)ccc1Cl	514297117	XHLYPIOVKXEYND-UHFFFAOYSA-N	586.132	3.571	0	20	KHAD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN(CC)CC(=O)Nc1ccccc1C(F)(F)F	514303091	UBMPDUCWRVSIEX-UHFFFAOYSA-N	508.541	3.852	0	20	KHAD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514304385	SKXXSFWYXZYNGN-UHFFFAOYSA-N	554.591	3.552	0	20	KHAD	
CC[C@H](C)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1	514374738	GGVXZFPTIJXBLM-IBGZPJMESA-N	535.736	3.868	0	20	KHAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)n3C[C@@H]3CCCO3)cc2)C[C@@H](C)O1	514374962	ITBSOZLDQQXCOD-PWHSHALESA-N	589.715	3.792	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2cccc(-n3cnnn3)c2C)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514381718	PKYXRQQNPOQTLD-UHFFFAOYSA-N	538.678	3.722	0	20	KHAD	
CC[C@H](C)n1c(SCC(=O)N2C[C@H](C)O[C@H](C)C2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514291536	GCEVCGKEMKMIHY-GBESFXJTSA-N	523.725	3.675	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2CCOC)c1	514293923	XPLARSPIPLGCCY-INIZCTEOSA-N	553.110	3.790	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)nnc12	514302993	IECICYCKNBZTBM-ROUUACIJSA-N	537.642	3.600	0	20	KHAD	
C[C@@H](c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1-c1ccc(Cl)cc1)N(C)C	514375147	LXUZYVQXRGWBFM-INIZCTEOSA-N	599.566	3.948	0	20	KHAD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cc(F)c(F)cc2Cl)CC1	514378632	GKFBMLZCMUMKGQ-UHFFFAOYSA-N	513.010	3.797	0	20	KHAD	
CCOc1ccc([C@H](CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c2c[nH]c3ccccc23)cc1OC	514404746	KVXQSQBTALELPL-WTYVLRPYSA-N	504.587	3.544	0	20	KHAD	
Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1csnn1)CC2	1820730526	CSRBYZKMRNXSFC-CYBMUJFWSA-N	500.009	3.588	0	20	KHAD	
CCOC(=O)c1sc(N(Cc2ccc(F)cc2)C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)nc1C	514298888	APUTXLYCYVAPEI-UHFFFAOYSA-N	629.736	3.841	0	20	KHAD	
CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1S(=O)(=O)N1CCCC1	514382373	LLGOUKHCPHQHQB-UHFFFAOYSA-N	574.096	3.702	0	20	KHAD	
C[C@@H]1Cc2cc(C(=O)N(CCC3=CCCCC3)c3c(O)nc(=O)n(Cc4ccccc4)c3N)ccc2N1S(C)(=O)=O	514383962	IDHVWQXVNIRFCS-HXUWFJFHSA-N	577.707	3.827	0	20	KHAD	
COc1cc(OC)c(OC)cc1CNC(=O)CSc1nc2ccccc2c(=O)n1CCN(C(C)C)C(C)C	514392494	XYMHOLGNGSCHOT-UHFFFAOYSA-N	542.702	3.950	0	20	KHAD	
COc1ccc(CN2CCN(C(=O)c3cc(C)nc4c3cnn4Cc3cccs3)CC2)c(OC)c1OC	514395270	GRMQMNBNOLBGTQ-UHFFFAOYSA-N	521.643	3.833	0	20	KHAD	
CCOc1ccc(-n2c(SCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)nnc2-c2ccncc2)cc1	514383170	HDDVYLFEQLPYEK-JOCHJYFZSA-N	541.699	3.778	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3c(Cl)cccn13)CC2)c1snnc1C1CC1	1817834126	UQWGAGTUMCCPKO-LLVKDONJSA-N	500.009	3.713	0	20	KHAD	
O=C(CSc1nc2ccccc2c(=O)n1C1CCCCC1)NCc1ccc(C(=O)N2CCOCC2)cc1	514395050	BGUNDIPMNVQKHA-UHFFFAOYSA-N	520.655	3.783	0	20	KHAD	
Cn1c(=O)c2c(ncn2CCSc2nnc(CNc3cccc(C(F)(F)F)c3)n2C2CCCCC2)n(C)c1=O	514403285	LDPFYYYKYQWWER-UHFFFAOYSA-N	562.622	3.954	0	20	KHAD	
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(C)O	113110304	BVRFLTMNUUTDIT-YTTGMZPUSA-N	572.662	3.701	0	20	KHAD	
Cc1c(NC(=O)[C@@H](C)Sc2nc3sc4c(c3c(=O)n2C)CCCC4)c(=O)n(-c2ccccc2)n1C	514374096	HXVYUQGUAOPYCQ-OAHLLOKOSA-N	509.657	3.791	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)c(O)nc1=O	514379299	PDBFZXQTIQJTDZ-UHFFFAOYSA-N	583.711	3.784	0	20	KHAD	
CCOCCCn1c(S[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)nc2cc(Cl)ccc2c1=O	514395211	FQCXHRRSLDWQMQ-INIZCTEOSA-N	583.132	3.855	0	20	KHAD	
CCOc1ccc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1S(=O)(=O)N1CCCC1	514388118	OZKAQYUCDLMYMX-UHFFFAOYSA-N	540.568	3.514	0	20	KHAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H](CSC)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)cc1	514402885	GRGQLQXEHUXCFQ-FKBYEOEOSA-N	545.683	3.650	0	20	KHAD	
Cc1c(NC(=O)[C@H](C)SCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c(=O)n(-c2ccccc2)n1C	514299738	QCKQRYNFHHJDMC-SFHVURJKSA-N	548.134	3.604	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)sc(C(=O)NC)c1C	514374631	DLKNBFFDTLORFZ-UHFFFAOYSA-N	542.687	3.500	0	20	KHAD	
COCCn1c(SCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)nc2ccccc21	514385192	BULLLIGSGQZPRP-UHFFFAOYSA-N	535.592	3.577	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3	514293175	RLHRGWLIVJGPHO-UHFFFAOYSA-N	512.632	3.804	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCc3ccccc3OC)n2[C@@H](C)COC)c1	514293891	UPCCLXVRMNVNTK-IBGZPJMESA-N	561.730	3.600	0	20	KHAD	
CCOC(=O)c1sc2nc(C)nc(Sc3nnc([C@H](CC)N(C)C)n3CCN3CCOCC3)c2c1C	514298807	GTGMNVZCFSECOG-KRWDZBQOSA-N	533.724	3.572	0	20	KHAD	
Cc1cccc(-n2c(SCC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2)c1	514300123	KHAWBGJLFAMNAV-PKTZIBPZSA-N	526.684	3.530	0	20	KHAD	
O=C(NCCCOC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1	514302519	FXQCWULHXWMYIH-INIZCTEOSA-N	503.440	3.627	0	20	KHAD	
CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)nc(O)c12	514404360	DTSLLPNHFWOYDO-MRXNPFEDSA-N	564.755	3.723	0	20	KHAD	
COc1ccc(C)cc1/C(O)=C(/C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)[n+]1cccc(O)c1	748290656	KPRASYNWAVBTEE-UHFFFAOYSA-O	500.622	3.570	0	20	KHAD	
COc1cccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)N(C)C)c1	514293322	PHSNHZGNPMHJQK-NRFANRHFSA-N	513.582	3.534	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1	514300907	SLEKXJGNCMWHKD-UHFFFAOYSA-N	559.714	3.951	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCC(C)CC3)n2CC(C)C)c1	514375124	LGPBPNFKZJTUSK-UHFFFAOYSA-N	507.726	3.982	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(OC)cc1)N(C)C	514375793	VZKZLKHIDSWTRT-JOCHJYFZSA-N	609.174	3.694	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)N2CCNC2=O)nc2scc(-c3ccccc3Cl)c2c1=O	514388579	PQRPLNXLZLLWKA-ZDUSSCGKSA-N	507.037	3.847	0	20	KHAD	
CC(C)[C@H](NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccc2c(c1)OCCCO2	514401486	WIDMWFNUWWJIEM-MHZLTWQESA-N	548.606	3.936	0	20	KHAD	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)Nc1cccc(Cl)c1Cl	514402543	CHWVHUQESXUQEK-UHFFFAOYSA-N	513.447	3.665	0	20	KHAD	
O=C(Nc1ccccc1I)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514404967	OWVAMNSJIJBCHG-UHFFFAOYSA-N	555.438	3.555	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)c1c(O)nc(=O)n(CC(C)C)c1N	514290879	CNIIBPJISBXKTM-GOSISDBHSA-N	616.810	3.798	0	20	KHAD	
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)N2CCOCC2)cc1	514377366	SGXUAUIAKAUFGZ-XMMPIXPASA-N	590.064	3.958	0	20	KHAD	
CCn1c(CCC(=O)Nc2ccc(C)c(I)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514378223	BYWAOCRAUKDBMO-UHFFFAOYSA-N	582.464	3.561	0	20	KHAD	
CCc1cc2c(=O)n(CCc3ccccc3)c(S[C@H](C)C(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)nc2s1	514389030	XQMUWRHTDACTQD-IEBWSBKVSA-N	533.741	3.779	0	20	KHAD	
CCOCCCNC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccccc1Cl	514396007	ZDCHCTHMUFBHLZ-LJQANCHMSA-N	594.159	3.632	0	20	KHAD	
CCn1c(CCC(=O)N[C@H](c2ccc(C)cc2)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514405751	YXMMEILOQSIROI-HHHXNRCGSA-N	510.660	3.586	0	20	KHAD	
Cc1ccc(-n2ccnn2)c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnc(Cl)s4)sc3C2)c1	1820787429	JFBNGYLNNUWUTK-LBPRGKRZSA-N	500.009	3.682	0	20	KHAD	
CCc1ccc(OCc2nnc(SCC(=O)NCCCN3CCCC3=O)n2Cc2ccccc2)cc1	514291486	FTBNTNDJUIYHBR-UHFFFAOYSA-N	507.660	3.689	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)CC1	514292307	LZNAUXSGHPTVKE-AEFFLSMTSA-N	533.716	3.798	0	20	KHAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1	514293654	UMAOLGWPLJKQRD-LOSJGSFVSA-N	586.732	3.946	0	20	KHAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1	514299954	MALUTDHQBIWZJZ-UHFFFAOYSA-N	567.539	3.794	0	20	KHAD	
COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c(OC)c1	514386013	ZIAYNKKROGDZBM-QHCPKHFHSA-N	530.643	3.630	0	20	KHAD	
Cc1ccc([C@H](CN2CCOCC2)NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1	514389016	XKGRRKCRWHBCFV-DEOSSOPVSA-N	514.464	3.799	0	20	KHAD	
CS(=O)(=O)NCCc1ccc(C(=O)CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)s1	514390142	ZEDYWWGSBVDSBO-UHFFFAOYSA-N	526.109	3.649	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3cnc4cc(Cl)ccn34)sc2C1)c1nnsc1C1CC1	1816073732	WOYFYDHPWYKQES-LBPRGKRZSA-N	500.009	3.713	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4c(Cl)cccc34)sc2C1)c1nnsc1C1CC1	1823917395	VNTZBYZXYTZKIN-SNVBAGLBSA-N	500.009	3.941	0	20	KHAD	
CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1	514300983	UKNPAVZCKOFWPC-QFIPXVFZSA-N	561.546	3.700	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nc4ccccc4c(=O)n3[C@@H](C)COC)[nH]c2c1	514301926	IAHTVAZAQFWDQM-INIZCTEOSA-N	515.661	3.803	0	20	KHAD	
CS(=O)(=O)N1CCCc2cc(C(=O)CSc3nnc(CN4CCCC4)n3-c3ccccc3)ccc21	514384732	UGDVTCKVTQVXPP-UHFFFAOYSA-N	511.673	3.550	0	20	KHAD	
COc1ccc(Cc2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3OC)o2)cc1	514375748	WKHSDDRYTHBOAT-UHFFFAOYSA-N	532.644	3.583	0	20	KHAD	
CCc1c(C)sc2nc(SCC(=O)c3ccc(NS(C)(=O)=O)cc3)n(C[C@@H]3CCCO3)c(=O)c12	514381600	KQQQVHHEWNSUHZ-KRWDZBQOSA-N	521.686	3.854	0	20	KHAD	
COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnc(N3CCOCC3)n2-c2ccc(C)cc2)c1	514386608	VFNBHEIOBAXRSB-HSZRJFAPSA-N	523.659	3.885	0	20	KHAD	
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C1CCN(S(=O)(=O)c3c(C)noc3C)CC1)CC2	514388606	QULUIYGHEAWNOB-DEOSSOPVSA-N	545.683	3.945	0	20	KHAD	
CC(C)CCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)N3CCN(c4ccccc4O)CC3)nnc12	514395535	MTRJQVFRKITKSK-IBGZPJMESA-N	520.659	3.625	0	20	KHAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O	514404421	GYTKXPISBSTHNW-SFHVURJKSA-N	532.018	3.542	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1	514380989	UWPHYMDWCNNMMY-UHFFFAOYSA-N	512.632	3.615	0	20	KHAD	
C[C@H]1CCCN(c2nnc(S[C@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)n2Cc2ccco2)C1	514394531	YDHZWVUJGPZZGM-LSDHHAIUSA-N	536.580	3.809	0	20	KHAD	
Nc1nc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(-c4ccccc4Cl)[nH]n2)CC3)cs1	1815132444	NCNYYNCFBOXHSR-SNVBAGLBSA-N	500.009	3.765	0	20	KHAD	
O=C(Nc1nnc(-c2ccsc2)s1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1	503021633	ZDFHPOLBLXITIW-UHFFFAOYSA-N	500.009	3.820	0	20	KHAD	
O=C(CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)Nc1ccc(Br)cc1	514295302	CCVNPMIWPCEYEV-UHFFFAOYSA-N	537.480	3.511	0	20	KHAD	
COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnc(N3CCOCC3)n2-c2ccc(C)cc2)c1	514386609	VFNBHEIOBAXRSB-QHCPKHFHSA-N	523.659	3.885	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1	514388998	XCGYMDYWUNKAKT-UHFFFAOYSA-N	574.769	3.767	0	20	KHAD	
CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1	514389812	NIUVHTAIKQGZGA-JOCHJYFZSA-N	584.160	3.594	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514401869	ABNZSKFBKYKBPN-UHFFFAOYSA-N	620.794	3.523	0	20	KHAD	
Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(-c3ccc(Cl)cc3)[nH]n1)CC2	1817604729	QDNVJSVBUUOIRA-ZDUSSCGKSA-N	500.009	3.886	0	20	KHAD	
CCc1cccc[n+]1/C(C(=O)c1ccc(CCNS(C)(=O)=O)cc1)=C(/S)Nc1ccccc1F	27097156	HGPSSBNEPMSPFD-UHFFFAOYSA-O	500.641	3.818	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(C(C)C)cc2)c(C(=O)OC)c1C	514380486	LUOXATYURBLBCS-KRWDZBQOSA-N	542.701	3.792	0	20	KHAD	
CN1CCC2(CC1)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1O2	514382503	NKEYKRFDBVQYCB-LJQANCHMSA-N	531.984	3.742	0	20	KHAD	
COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CSc3nc4ccccc4c(=O)n3C3CCCC3)nc(=O)c12	514383862	MXBFXCSRTIVWSQ-UHFFFAOYSA-N	540.623	3.604	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)nnc1-c1ccc(OC)c(OC)c1	514395327	IDHNYUXYSUAIKR-MRXNPFEDSA-N	572.640	3.691	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc3scc(-c4ccccc4Cl)c3c(=O)n2CCOC)c(O)nc1=O	514294391	YPJWOXMZTJHFMG-UHFFFAOYSA-N	649.195	3.841	0	20	KHAD	
O=C(Nc1cc(Br)ccc1N1CCOCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1	514299159	AWTFPFUSFNLUCR-UHFFFAOYSA-N	544.418	3.603	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	514386539	RMOHGSUIEFHBCB-IBGZPJMESA-N	566.536	3.665	0	20	KHAD	
Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cnc(Cl)s2)CC3)c(-n2nccn2)c1	1821459460	NCYMCGQSYGPVBW-LBPRGKRZSA-N	500.009	3.682	0	20	KHAD	
CCCCCn1c(CCC(=O)Nc2cc(OC)c(OC)c(OC)c2)nc2c1c(O)nc(=O)n2CCCC	514292201	IDGJTPIXBKEZNN-UHFFFAOYSA-N	515.611	3.886	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)cc1	514299774	ICWKQRBXEDQDBT-AOMKIAJQSA-N	524.481	3.924	0	20	KHAD	
C[C@H](NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1)[C@H]1C[C@H]2CC[C@H]1C2	514376756	QVSRBMYFHIDVHF-AIFLQVKLSA-N	585.752	3.640	0	20	KHAD	
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514379016	LDRJUUADZOGXLG-UHFFFAOYSA-N	559.632	3.919	0	20	KHAD	
CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)nnc1-c1cccs1	514379982	GKYRQYGDEMUIDI-UHFFFAOYSA-N	576.770	3.769	0	20	KHAD	
CCn1c(SCC(=O)N[C@@H](C)c2ccccc2OC)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514382893	BPFARBSVTUVFJA-SFHVURJKSA-N	529.688	3.728	0	20	KHAD	
COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCN(C(C)C)C(C)C)cc1S(=O)(=O)N(C)C	514386368	MIKPVPWCXUDTHS-UHFFFAOYSA-N	575.757	3.505	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnnn2-c2c(C)n(C)n(-c3ccccc3)c2=O)sc2c1CC[C@H](C)C2	514390255	DABZOILUYDEAJB-HNNXBMFYSA-N	567.697	3.554	0	20	KHAD	
COc1ccc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	514391085	ZOVCVUUKSYFTNN-NXMSCROESA-N	514.623	3.754	0	20	KHAD	
COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3S(C)(=O)=O)n2C[C@H]2CCCO2)cc1	514396004	ZBOMSSDHLMZUBL-QFBILLFUSA-N	516.645	3.656	0	20	KHAD	
C[S@](=O)Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1	514403129	IZWVHFCTZNGHJD-UMSFTDKQSA-N	542.523	3.749	0	20	KHAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1	514296399	MFAYNXNREDMFPB-UHFFFAOYSA-N	556.685	3.727	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Sc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)c1	514376243	DTAFNPPNFSZDAT-CQSZACIVSA-N	575.134	3.881	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)nc2cc(C(=O)OC)ccc2c1=O	514395436	KHKLWWUVXNVYOA-DLBZAZTESA-N	543.642	3.595	0	20	KHAD	
CCc1cccc[n+]1/C(C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)=C(/O)c1ccc(CCNS(C)(=O)=O)cc1	912842515	MCQGOLUSZVJDMH-IEIRFRATSA-O	500.710	3.618	0	20	KHAD	
CCCC[C@@H](c1ccc(-c2ccc(F)cc2)s1)c1cc(C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1C	2048529154	LADQPOJIFFSDTE-LQOIHBGXSA-N	516.631	3.803	0	20	KHAD	
CCc1nnsc1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(c2ccccc2OC)CC1	514299642	IJEGHGHQNZOVSF-UHFFFAOYSA-N	558.730	3.719	0	20	KHAD	
O=C(CSc1nc(-c2cccs2)nc2ccccc12)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514302242	NFLGLUJGXUIGFI-IAGOWNOFSA-N	503.671	3.645	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nc2cc(Cl)ccc2c1=O	514404375	FISJOXSKCMLGIE-SFHVURJKSA-N	595.143	3.535	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3cc(Cl)nc4n[nH]cc34)sc2C1)c1scnc1C1CC1	1816063432	LFERUKVDLPBHEC-JTQLQIEISA-N	500.009	3.941	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)n2CC(C)C)c1	514301356	ZSIAZHRZAIQRPT-UHFFFAOYSA-N	584.724	3.588	0	20	KHAD	
CCn1c(SCc2nc(O)c3cc(Br)cc(Br)c3n2)nnc1N1CCOCC1	514383868	NALHPEZNAYEOKR-UHFFFAOYSA-N	530.246	3.601	0	20	KHAD	
CCCCn1c(CCC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nc2cc(S(=O)(=O)N(C)C)ccc21	514295106	GUDJTNPEEASNMX-UHFFFAOYSA-N	623.780	3.601	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3N(C)C)CC2)cc1OC	514381756	QUVLAAYHEZTUBE-UHFFFAOYSA-N	515.554	3.828	0	20	KHAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)CC1	514382948	CLYORBTWIFBYJB-UHFFFAOYSA-N	508.644	3.715	0	20	KHAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	514404737	KOXADDDUTCPDAY-INIZCTEOSA-N	593.500	3.565	0	20	KHAD	
CCCCN1C(=O)CC[C@@H](C(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)[C@@H]1c1ccccc1OC	514302981	HVNNAGCIKOVAHX-LXFBAYGMSA-N	537.657	3.777	0	20	KHAD	
CCCn1c(CSc2nnc(-c3ccccc3OC)o2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514381474	GRMJJLMSTIKZQB-UHFFFAOYSA-N	529.644	3.818	0	20	KHAD	
CC(C)C(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)cc1	514292406	LARGQTOQWLYUMQ-UHFFFAOYSA-N	514.648	3.545	0	20	KHAD	
CC[C@H](c1nnc(SCc2nc(O)c3c4c(sc3n2)CCCC4)n1CCN1CCOCC1)N(C)C	514375581	SARAJGYICUCKBC-QGZVFWFLSA-N	517.725	3.504	0	20	KHAD	
Cc1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)CSCC(=O)N(C)C3CCCCC3)s2)c(=O)n(-c2ccccc2)n1C	514383212	DIWFCNUAAWNSDB-SFHVURJKSA-N	617.823	3.918	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2CCC[C@@H]2c2ccc(OC)cc2OC)c1	514387132	IXLLDWWRWVISNG-JOCHJYFZSA-N	505.637	3.519	0	20	KHAD	
Clc1ccc(OCCSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)c(Br)c1	514394547	YKLGAEARGGJZRG-HNNXBMFYSA-N	503.850	3.881	0	20	KHAD	
Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)nc(O)c2c1C	514394689	ZBDQPSALITVSLS-MRXNPFEDSA-N	515.661	3.545	0	20	KHAD	
CCCCn1c(CCC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)nc2c1c(O)nc(=O)n2CCCC	514402900	STJGEWBFZJLOFQ-JOCHJYFZSA-N	559.111	3.675	0	20	KHAD	
O=C(Nc1ccc(Br)cc1F)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514296759	NXEINRIMHMMDLT-UHFFFAOYSA-N	526.428	3.852	0	20	KHAD	
C[C@H]1CN(Cc2csc(NC(=O)c3cccc(NS(=O)(=O)c4ccc5c(c4)OCCO5)c3)n2)C[C@@H](C)O1	514302496	FVRAKAKSLFFZJQ-CALCHBBNSA-N	544.655	3.577	0	20	KHAD	
Cc1sc2nc(CS[C@H](C)C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)nc(O)c2c1C	514377294	QFGWOOCLWJLBAZ-VQIMIIECSA-N	504.653	3.964	0	20	KHAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)c1	514378137	SHFUGRCQHITJRH-UHFFFAOYSA-N	655.799	3.872	0	20	KHAD	
CC(C)CN(C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N	514379380	TWCNHIKRRKVYGA-QFIPXVFZSA-N	505.619	3.738	0	20	KHAD	
CCCn1c(CCC(=O)Nc2ccccc2SCC(N)=O)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514383182	HKSPERXYFUJOGP-UHFFFAOYSA-N	531.704	3.626	0	20	KHAD	
CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3ccc(S(=O)(=O)N[C@@H]4CCS(=O)(=O)C4)cc3)cc2C1	514383425	DLNAROVYRPABNZ-FUHWJXTLSA-N	510.703	3.617	0	20	KHAD	
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514291135	CHHMZZKFHYQXAD-UHFFFAOYSA-N	547.983	3.865	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)sc(C(=O)Nc2ccc(C)cc2C)c1C	514299341	LYGVLMPGYZWHHV-AREMUKBSSA-N	526.615	3.761	0	20	KHAD	
O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	514300866	UAWSXJKIDODGJA-UHFFFAOYSA-N	540.092	3.747	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	514377753	HZXCIXGVWJCMQC-OFVILXPXSA-N	533.647	3.538	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1	514391601	MBKHBOHGXYDASC-XMMPIXPASA-N	521.687	3.965	0	20	KHAD	
CCCN(C(=O)[C@H](C)Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1	514395899	WQXIMYZOGBOJBG-DOTOQJQBSA-N	500.086	3.612	0	20	KHAD	
CC1(C)OC[C@@H](COc2cc(I)c(OC[C@@H]3COC(C)(C)O3)cc2I)O1	261506788	AWJRFLZWRVYMFJ-VXGBXAGGSA-N	590.192	3.956	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N(C)Cc1ccc(OC(F)F)cc1)n2CC(C)C	514405100	OVMNRKOIBDDWCM-UHFFFAOYSA-N	505.566	3.947	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c3c(Cl)cccc13)CC2)c1snnc1C1CC1	1817837670	WVSHRCRBCUSTTE-SNVBAGLBSA-N	500.009	3.941	0	20	KHAD	
CCCOc1ccc(CN(CCC)C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC	514292314	KHLGCSZEIHLSTH-UHFFFAOYSA-N	518.676	3.876	0	20	KHAD	
C[C@H](c1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n1-c1ccc(F)cc1)N(C)C	514376032	ZTFMGFULMKQIBQ-QGZVFWFLSA-N	532.667	3.544	0	20	KHAD	
Cn1c(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cc2c(=O)n3ccccc3nc21	514383407	DCZMUMJUKUDMSH-UHFFFAOYSA-N	548.669	3.603	0	20	KHAD	
CCOCCCn1c(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)nc2cc(Cl)ccc2c1=O	514395212	FQCXHRRSLDWQMQ-MRXNPFEDSA-N	583.132	3.855	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)c(O)nc1=O	514378926	KBVPTCMNAWOWBZ-IBGZPJMESA-N	533.695	3.506	0	20	KHAD	
O=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1	514384058	LMEFAEXVCLRKMV-UHFFFAOYSA-N	588.446	3.853	0	20	KHAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1	514385664	PVJVRYIBCAMJEX-SFHVURJKSA-N	559.486	3.836	0	20	KHAD	
Cc1cc(N2CCN(C(=O)c3nn(-c4cccc(C(F)(F)F)c4)c(C)cc3=O)CC2)nc(C(C)C)n1	514387472	IANRJALDIYKNOE-UHFFFAOYSA-N	500.525	3.744	0	20	KHAD	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)CC2)cc1	514390954	WXWRCWYRXWOEAW-UHFFFAOYSA-N	509.554	3.589	0	20	KHAD	
COc1cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)ccc1OCC(=O)Nc1ccc(Br)cc1	514402508	AUBZLVIDYBLMND-UHFFFAOYSA-N	544.446	3.950	0	20	KHAD	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514405360	TZJRKSMSMGBUEG-UHFFFAOYSA-N	535.592	3.843	0	20	KHAD	
O=C1CSc2cc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5ccc(Cl)cn5)sc4C3)ccc2N1	1820428329	GANFADHJTNBBEQ-CYBMUJFWSA-N	500.005	3.775	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)n2C)cc1	514301155	VTDXNYKONUJNSQ-JOCHJYFZSA-N	519.737	3.769	0	20	KHAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)n3C[C@@H]3CCCO3)cc2)C[C@@H](C)O1	514374964	ITBSOZLDQQXCOD-YYDVJCTNSA-N	589.715	3.792	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	514376721	QARROWQAQBPQKR-WIOPSUGQSA-N	517.648	3.838	0	20	KHAD	
COc1cc(NC(=O)CCSCCC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	514378847	XZKOTYKWYJRJOQ-UHFFFAOYSA-N	508.593	3.829	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)c3[nH]c(C)c(C(=O)OC)c3C)o2)c1	514291289	DQYPRQVTIQUVBO-OAHLLOKOSA-N	520.633	3.862	0	20	KHAD	
CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514292966	QIYJCAHORASYFQ-TZIWHRDSSA-N	513.685	3.914	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)Cc3ccco3)n2[C@H](C)COC)c1	514293344	QNXZQTKKOYZFPS-GOSISDBHSA-N	535.692	3.527	0	20	KHAD	
COCCn1c(SCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)nc2sc3c(c2c1=O)CCCC3	514293806	TUNIXFLMTGIUEB-UHFFFAOYSA-N	542.104	3.771	0	20	KHAD	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1)NCC1CCCCC1	514294423	ZJKRNXNASYPWFU-UHFFFAOYSA-N	587.743	3.942	0	20	KHAD	
COc1ccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccc(I)cc1	514296455	LYDZQHJYFKIWPW-KDURUIRLSA-N	611.458	3.604	0	20	KHAD	
O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514299879	JRFPFDWYCOXWSP-MOPGFXCFSA-N	565.783	3.739	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1	514383963	OHKOARJQGMEMQZ-UHFFFAOYSA-N	590.797	3.863	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CSc2nnc(-c3ccncc3)n2CCOC)c1	514385512	KAAMQEYYYXDCCG-UHFFFAOYSA-N	562.718	3.535	0	20	KHAD	
CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccccc4F)n3CC(C)C)CC2)c1	514391445	JVGCHUYJOBKABF-UHFFFAOYSA-N	559.689	3.568	0	20	KHAD	
COc1ccc(NC(=O)CCN2CCN(CCOc3ccccc3Cl)CC2)cc1S(=O)(=O)N1CCCCC1	514391692	MZTRJYNJDRYTDI-UHFFFAOYSA-N	565.136	3.548	0	20	KHAD	
Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)o1	514393257	UTRUJEZOTCXZNB-GOSISDBHSA-N	509.592	3.599	0	20	KHAD	
COC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)CC1	514395060	BMVCXDBCJYZUJH-QGZVFWFLSA-N	508.600	3.614	0	20	KHAD	
CCn1c(CCC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514405754	YXMMEILOQSIROI-MHZLTWQESA-N	510.660	3.586	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3n[nH]c4c(Cl)cccc34)sc2C1)c1snnc1C1CC1	1823916660	AXZZKBBUZXBKOH-JTQLQIEISA-N	500.009	3.941	0	20	KHAD	
CCCCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293009	QRAKLDXBVFROTE-UHFFFAOYSA-N	530.672	3.791	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)cc1	514299777	ICWKQRBXEDQDBT-ZHRRBRCNSA-N	524.481	3.924	0	20	KHAD	
CCn1c(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514375131	LKWAEIRNZPDQAZ-UHFFFAOYSA-N	619.814	3.513	0	20	KHAD	
COc1cc(-c2nnc(SCC(=O)c3cc(C)n([C@@H]4CCS(=O)(=O)C4)c3C)o2)cc(OC)c1OC	514375272	OKMGLDJGFBCMJU-MRXNPFEDSA-N	521.617	3.515	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)n1CCN1CCOCC1)N(C)C	514375769	VRDSNSSCDJIQIV-NRFANRHFSA-N	529.736	3.786	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4cc5c(cc4s3)OCCCO5)CC2)cc1	514382866	BBKWOTNLTXHPLQ-UHFFFAOYSA-N	515.613	3.700	0	20	KHAD	
O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1	514394235	KGMLMKWXAVQUIJ-XMMPIXPASA-N	526.659	3.515	0	20	KHAD	
COc1ccc([C@@H](CNC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)N2CCOCC2)cc1	514292079	KJJNJOKPEUARQZ-RUZDIDTESA-N	532.670	3.845	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1c(Cl)cccc1Cl	514297714	WTZBLYDFXZBYCX-UHFFFAOYSA-N	503.404	3.819	0	20	KHAD	
CCCn1c(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)nc2cc(Cl)ccc2c1=O	514385140	ZPXJDBNGBIUXOV-INIZCTEOSA-N	526.105	3.829	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2nnc(SCC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)n2c1	514392275	WLDXEEFTHGSGAF-UHFFFAOYSA-N	503.650	3.719	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401310	SRYJBGKIKIWRRD-QGZVFWFLSA-N	518.661	3.588	0	20	KHAD	
CC(C)Cn1c(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)nnc1N1CCOCC1	514402567	PDDCLKOMMFDFKR-UHFFFAOYSA-N	500.694	3.879	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(CN3CCCC3)n2Cc2ccccc2)c1	514403086	HPIJOWCQOSPCHW-UHFFFAOYSA-N	542.731	3.684	0	20	KHAD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1	514405110	PGFIXJOCQFJPEQ-UHFFFAOYSA-N	509.573	3.770	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c3c(Cl)cccc13)CC2)c1nnsc1C1CC1	1817711876	JLQWTBHKADBRAF-SNVBAGLBSA-N	500.009	3.941	0	20	KHAD	
Cc1ccc(-c2csc3nc(S[C@H](C(=O)NC(N)=O)C(C)C)n(C[C@H]4CCCO4)c(=O)c23)cc1	514292104	KUWUIDCBSFKWFY-APWZRJJASA-N	500.646	3.924	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSCC(=O)Nc1cccc(C)c1	514295815	HSXKKZFLAZZEKW-UHFFFAOYSA-N	505.662	3.879	0	20	KHAD	
CN(C)S(=O)(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)ccc1Cl	514296317	LGYICOYXZICHGA-UHFFFAOYSA-N	554.905	3.937	0	20	KHAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)CCc2nc(-c3cccs3)no2)CC1	514388821	SDAQDIJBRYMXOS-UHFFFAOYSA-N	546.719	3.542	0	20	KHAD	
O=C(Nc1nc2ccccc2nc1N1CCCC1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	514393357	XTTSYVPWVWLNSF-UHFFFAOYSA-N	501.559	3.548	0	20	KHAD	
O=C(CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2	514394323	TZMFVRXNPRDWLZ-HATBAZKYSA-N	577.707	3.904	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)sc(C(=O)NC)c1C	514291821	IXJDJRVDJLLKHV-AWEZNQCLSA-N	549.700	3.823	0	20	KHAD	
CCn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514303433	NAWUWAYOTRLYJY-UHFFFAOYSA-N	514.629	3.537	0	20	KHAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1	514385663	PVJVRYIBCAMJEX-GOSISDBHSA-N	559.486	3.836	0	20	KHAD	
CCc1c(C)sc2nc(SCC(=O)NCC(=O)Nc3ccc(F)c(F)c3)n(C[C@H]3CCCO3)c(=O)c12	514386264	IPMYAEIKISHHLG-OAHLLOKOSA-N	536.626	3.633	0	20	KHAD	
CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1nc2ccccc2s1	514401922	BUQMYAGZXDVWFR-UHFFFAOYSA-N	514.673	3.974	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)c1	514295786	HASDLDHZQFVGKA-GOSISDBHSA-N	506.694	3.790	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1	514378007	BPGNCNLAADGCFF-IBGZPJMESA-N	503.690	3.923	0	20	KHAD	
CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)nnc1-c1ccco1	514379462	VHJRHPUJMOXRGZ-UHFFFAOYSA-N	519.649	3.862	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c1	514379536	CSFBGBUHRPIXDU-PMACEKPBSA-N	567.730	3.555	0	20	KHAD	
Cc1noc(C)c1S(=O)(=O)N1CCCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1	514390850	WKXVBOGKUNWAIJ-ZDUSSCGKSA-N	508.950	3.687	0	20	KHAD	
Nc1nc(CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)nc2sc3c(c12)CCCC3	514391599	NICCPTRUHGPBGX-UHFFFAOYSA-N	504.582	3.927	0	20	KHAD	
COCCCn1c(SCC(=O)c2cc(C)n([C@@H](C)COC)c2C)nc2cc(C(=O)OC)ccc2c1=O	514401915	BPJPCESGEMHLSN-KRWDZBQOSA-N	515.632	3.820	0	20	KHAD	
O=C(CCc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1	514404336	CITDYHUXBOLSKN-FQEVSTJZSA-N	508.040	3.523	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1	514405117	POZKPUIEHBFQHJ-UHFFFAOYSA-N	501.605	3.648	0	20	KHAD	
O=C1CSc2cc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cc(Cl)ccn5)sc4C3)ccc2N1	1820387890	IMTVTPPXMDOGJI-ZDUSSCGKSA-N	500.005	3.775	0	20	KHAD	
O=C(NCCCOC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1	514302525	FXQCWULHXWMYIH-MRXNPFEDSA-N	503.440	3.627	0	20	KHAD	
COc1ccc(-c2nnc(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)n2-c2ccccc2)cc1	514374729	GTLQNEIXFRUXJU-NRFANRHFSA-N	514.673	3.707	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)n2[C@H](C)COC)c1	514375096	KPVVOLOXTBBZRC-ZJSXRUAMSA-N	641.882	3.624	0	20	KHAD	
CSc1ncccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(Cl)nc4n[nH]cc34)sc2C1	1816064786	NTDDZGVAZBTULD-JTQLQIEISA-N	500.009	3.724	0	20	KHAD	
CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)cc2)cc1Br	514301212	WJXCYXQZGYJXBG-UHFFFAOYSA-N	579.473	3.842	0	20	KHAD	
C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	514303851	PMMBXENMSULBKI-GFCCVEGCSA-N	509.959	3.894	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1	514377162	ZHSWDQOKXBEAKP-JOCHJYFZSA-N	554.090	3.509	0	20	KHAD	
C[C@H](Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	514381826	UZDHAJIUFNJXQI-MSOLQXFVSA-N	514.677	3.581	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)NCCSc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N	514383047	FMTKYMCTATVRCK-UHFFFAOYSA-N	503.669	3.543	0	20	KHAD	
CCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)nnc1-c1ccncc1	514291254	DFNPZFWGAPJIJD-UHFFFAOYSA-N	514.677	3.964	0	20	KHAD	
CCOc1ccc(-c2nc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCOCC3)sc2C)cc1	514294290	ZSCPCLUWZVAZBG-UHFFFAOYSA-N	530.672	3.856	0	20	KHAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)n3C[C@H]3CCCO3)cc2)C[C@@H](C)O1	514374959	ITBSOZLDQQXCOD-DNVFCKCGSA-N	589.715	3.792	0	20	KHAD	
C[C@@H](c1nnc(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n1-c1ccc(F)cc1)N(C)C	514375729	UUJHIHIAOGPUPM-SBNSQYLKSA-N	500.644	3.916	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c(O)nc1=O	514379911	WUSQLKKTNREUMV-UHFFFAOYSA-N	533.695	3.587	0	20	KHAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(Cc3cc(C)on3)CC2)c1	514401232	PZCGFRQTWKOLGR-UHFFFAOYSA-N	532.066	3.608	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514405384	UVPMXCUDHRTGEV-UHFFFAOYSA-N	659.627	3.707	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSCCOc1ccccc1C(C)=O	514297839	SSHKXKRPMAAJDR-UHFFFAOYSA-N	506.646	3.823	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1	514376391	KIMZPDKDJMSYKR-UHFFFAOYSA-N	614.790	3.746	0	20	KHAD	
COc1ccc(-n2c(SCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	514386502	QFQYJIFOTJZGDJ-XMMPIXPASA-N	583.780	3.664	0	20	KHAD	
CCCCN(C(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1)c1c(O)nc(=O)n(CCC)c1N	514390368	HYKXYHWZCXRZPZ-UHFFFAOYSA-N	574.748	3.553	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1	514390975	XESAEMIXJNLMII-NRFANRHFSA-N	530.666	3.947	0	20	KHAD	
CS(=O)(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1Cl	514403261	XPTZALAPZJEWHP-UHFFFAOYSA-N	514.069	3.848	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1N1CCOCC1)n2CC	514297771	XHIOBJDPROSACY-UHFFFAOYSA-N	660.863	3.669	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C	514298044	ZUEFSJGJPPRIPQ-UHFFFAOYSA-N	605.783	3.748	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)n1-c1ccc(OC)cc1)N(C)C	514298270	YSBLDFKCBCFHLH-DHIUTWEWSA-N	523.659	3.507	0	20	KHAD	
CCCn1c(CCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514377440	VRZDFJKRXJJJTL-UHFFFAOYSA-N	552.701	3.846	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)NCc2ccc(F)cc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514388263	MQSVIRCOBFDWSL-KRWDZBQOSA-N	517.652	3.686	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3ccc(NC(C)=O)cc3C(F)(F)F)CC2=O)cc1	514392279	TXQRQSKPOVPJLV-MRXNPFEDSA-N	540.564	3.686	0	20	KHAD	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nnc(N2CCC(C)CC2)n1C[C@H]1CCCO1	514393696	JIFVGVNGHNHYQA-OAQYLSRUSA-N	517.696	3.851	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2ccccc2N2CCCC2=O)nc2cc(S(=O)(=O)N(C)C)ccc21	514404756	LQLPIXDPEVSXSC-UHFFFAOYSA-N	511.648	3.785	0	20	KHAD	
COCCCn1c(SCC(=O)N2CCN(c3cccc(C)c3)CC2)nnc1-c1ccc(OC)c(OC)c1	514303210	VPJNLSWUQGAKIE-UHFFFAOYSA-N	525.675	3.748	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1nc(-c3ccc(CNC(C)=O)s3)cs1)n2C	514382956	CSQROVBHHKNQPH-UHFFFAOYSA-N	574.754	3.996	0	20	KHAD	
O=C(CCN1CCN(CCCc2nc(-c3cccs3)no2)CC1)Nc1ccc(N2CCCC2=O)cc1	514391127	GWZXTZUSWLKZHX-UHFFFAOYSA-N	508.648	3.504	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1	514401006	IIMAZVLBXMVEOU-UHFFFAOYSA-N	542.702	3.565	0	20	KHAD	
COc1ccc(OC)c(S(=O)(=O)N2CCN([C@@H](C)c3nc(O)c4c5c(sc4n3)C[C@@H](C)CC5)CC2)c1	514401550	YUHDRRIARVHWCN-HOTGVXAUSA-N	532.688	3.606	0	20	KHAD	
O=C(Cc1c(Cl)cccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1	514402711	RKYDDTIQVBRFGJ-MRXNPFEDSA-N	528.458	3.786	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)c(Cl)cc3OC)CC2)c(C(=O)OC)c1C	514292134	LDACWPDGGASRRT-UHFFFAOYSA-N	559.062	3.640	0	20	KHAD	
CCCn1c(CCC(=O)Nc2cc(Cl)ccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292902	OENOUYVGYPTSOX-UHFFFAOYSA-N	521.039	3.701	0	20	KHAD	
Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	514297001	LYBQXJWQIQOWSM-HXUWFJFHSA-N	502.409	3.763	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@@H](O)COc3ccc(F)cc3)n2[C@H](C)COC)c1	514377257	PEJMNTVCSNAPRD-NQIIRXRSSA-N	552.694	3.854	0	20	KHAD	
O=C(CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)Nc1ccccc1I	514393130	ORONKMAWZXAJNH-HNNXBMFYSA-N	527.432	3.783	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccc(F)cc4)n3C[C@@H]3CCCO3)CC2)cc1C	514294941	FBCBPRGZMBSCAT-QHCPKHFHSA-N	573.716	3.505	0	20	KHAD	
CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(CN2CCOCC2)cc1	514384932	XADVGVQBWFSCPC-HXUWFJFHSA-N	532.515	3.864	0	20	KHAD	
COCCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)nc2ccccc2c1=O	514404856	LKRBJKCONYHCQH-UHFFFAOYSA-N	574.725	3.737	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)c1c(O)nc(=O)n(CC(C)C)c1N	514290886	CNIIBPJISBXKTM-SFHVURJKSA-N	616.810	3.798	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(COc2cc(C)ccc2C)o1)c1c(O)nc(=O)n(CC(C)C)c1N	514377137	YKVZKKUXBYHRTM-UHFFFAOYSA-N	530.651	3.691	0	20	KHAD	
CCOC(=O)c1sc(N(Cc2ccc(F)cc2)C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)nc1C	514383304	GJKOAVTYNCIVPG-UHFFFAOYSA-N	567.686	3.626	0	20	KHAD	
Cc1ccc(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1S(=O)(=O)N1CCCCC1	514394250	KOYCKYRXDLAGAC-QFIPXVFZSA-N	500.621	3.722	0	20	KHAD	
CCOC(=O)c1sc(N(Cc2ccc(F)cc2)C(=O)CN2C(=O)NC3(CCCCC3)C2=O)nc1C	514402525	BLJRHDJYBHANNF-UHFFFAOYSA-N	502.568	3.555	0	20	KHAD	
COc1ccc(OCCN(C)C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1	514403401	UTVBSYNMIFDNLM-QFIPXVFZSA-N	500.596	3.901	0	20	KHAD	
CCOc1ccc(-n2c(S[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)C(C)C)nnc2-c2cccc(OC)c2)cc1	514302207	MPUBHZVVTJDDLE-WMZHIEFXSA-N	544.699	3.762	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514376707	PXFPZCWDLOJWAO-UHFFFAOYSA-N	595.650	3.690	0	20	KHAD	
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1C	514380880	WZMXLNMXKLHVFO-SFHVURJKSA-N	596.562	3.793	0	20	KHAD	
CCCn1c(CSc2nc3sc4c(c3c(=O)n2C)CCC4)nc2cc(S(=O)(=O)N(C)C)ccc21	514384145	MVNHUVJZLGGEII-UHFFFAOYSA-N	517.702	3.786	0	20	KHAD	
Cn1nccc1-c1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cncnc2)CC3)sc1Cl	1816061264	RNBOBWVBYKJWKK-GFCCVEGCSA-N	500.009	3.588	0	20	KHAD	
C/C=C\c1ccc(OC[C@@H](O)CN2CCN(C[C@@H](O)COc3ccc(/C=C/C)cc3OC)CC2)c(OC)c1	514295326	DFBJHQCIJMVSOD-YZSZOXMJSA-N	526.674	3.567	0	20	KHAD	
COc1ccc([C@H]2CCCN2C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(OC)c1	514391343	HNDRNMHIZQMKFU-GOSISDBHSA-N	504.513	3.740	0	20	KHAD	
CCCN(C(=O)[C@@H](C)Sc1nnc(-c2cc(OCC)c(OCC)c(OCC)c2)o1)[C@@H]1CCS(=O)(=O)C1	514395277	GVTBEMOOOURFRD-SJLPKXTDSA-N	541.692	3.839	0	20	KHAD	
CNc1nsnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnc4cccc(Cl)c4c3)sc2C1	1824312377	XGWAVQHWDFEKMB-LLVKDONJSA-N	500.009	3.778	0	20	KHAD	
C[C@@H](Sc1nc2cc(-c3ccccc3)sc2c(=O)n1CCN1CCOCC1)C(=O)NCC(F)(F)F	514293343	UGLDXXYWYXILDS-OAHLLOKOSA-N	526.606	3.616	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNc1ccc(Br)c(C(F)(F)F)c1	514296356	JZYWUGACSUBVOY-UHFFFAOYSA-N	552.369	3.548	0	20	KHAD	
CCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1	514380843	VOHICELAWXQPQB-UHFFFAOYSA-N	515.676	3.817	0	20	KHAD	
COc1ccc(-c2nnc(S[C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2C2CCCCC2)cc1OC	514388276	MYOWQZLAOHNDQU-APWZRJJASA-N	522.693	3.594	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccccc3)n2[C@H](C)COC)c1	514293061	PDPMIUMRQPSPGH-GOSISDBHSA-N	517.677	3.914	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2nc(-c3cccs3)cs2)c(O)nc1=O	514377832	LBZWDBUGVSZSAM-UHFFFAOYSA-N	518.665	3.924	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nnc([C@H]3COc4ccccc4O3)o2)cc1S(=O)(=O)N(CC)CC	514385511	JZKBGTZWBZLDHK-HXUWFJFHSA-N	548.643	3.742	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(O)nc1=O	514400932	FNYSFSCYRCLOCQ-UHFFFAOYSA-N	557.673	3.724	0	20	KHAD	
Cc1cc(CN2CCN(C(=O)Nc3ccc(NC(=O)[C@H](C)n4nc(C)cc4C)c(Cl)c3)CC2)on1	519502499	XNDWABVZHCGOCP-SFHVURJKSA-N	500.003	3.999	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1	514296758	KPSBOMPVWHTQLQ-IRLDBZIGSA-N	519.737	3.578	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H](c1ccc3c(c1)OCCO3)C(C)C)n2C	514300827	RSGNOTLBOZWUSR-HHHXNRCGSA-N	528.675	3.821	0	20	KHAD	
CCCn1c(CCC(=O)Nc2ccccc2Br)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514303768	YZNHFVWAHPJZMF-UHFFFAOYSA-N	535.464	3.801	0	20	KHAD	
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1	514383848	MPXZONCDNJWELC-PMACEKPBSA-N	543.715	3.656	0	20	KHAD	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(N2CCC[C@H](C)C2)n1Cc1ccco1	514393435	AUYIWIRFINCZGM-MBSDFSHPSA-N	536.658	3.630	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)N2CCSc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395928	XHKZNOHPKZTTBL-QGZVFWFLSA-N	532.713	3.697	0	20	KHAD	
CCc1c(C)sc2nc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n(C[C@@H]3CCCO3)c(=O)c12	514375616	SOIUXCXPYYEUOZ-KRWDZBQOSA-N	627.210	3.913	0	20	KHAD	
CCn1c(SCC(=O)Nc2ccc(SC)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514391438	JOWYCTVYRFQLPU-UHFFFAOYSA-N	506.675	3.530	0	20	KHAD	
CSc1nnnn1-c1cccc(NC(=O)C(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)c1	520926719	VLTNHDGXSGANFZ-UHFFFAOYSA-N	500.009	3.724	0	20	KHAD	
CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1	514374780	HEFLJUJYXIYHSV-QGZVFWFLSA-N	521.611	3.572	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccc(Br)cc2)o1)c1c(O)nc(=O)n(CC(C)C)c1N	514375694	UELUGNBXSDKISM-UHFFFAOYSA-N	551.467	3.925	0	20	KHAD	
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1	514377931	PJBMTIFGMAVYRB-UHFFFAOYSA-N	513.538	3.599	0	20	KHAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O	514385143	ZSAXBJWMPSYVGR-HXUWFJFHSA-N	559.413	3.532	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)n1CCN1CCOCC1)N(C)C	514386363	MCFVMVXYEXFBSV-ZJSXRUAMSA-N	546.738	3.822	0	20	KHAD	
C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514374388	BHCDAIDSGOTQIS-FQEVSTJZSA-N	636.747	3.995	0	20	KHAD	
CCCn1c(S[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)nc2ccc(Br)cc2c1=O	514374988	JGPHJMLTLLOOCM-OAHLLOKOSA-N	533.448	3.627	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1	514376787	GUQQYQFZNADBSZ-UHFFFAOYSA-N	501.008	3.982	0	20	KHAD	
Cc1sc2nc(CS[C@@H](C)C(=O)N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)nc(O)c2c1C	514379868	VYKMUWGZBWHHJE-HNNXBMFYSA-N	585.571	3.931	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(C(=O)OC)c1C	514380461	LMLDEAJEIBXOJY-CQSZACIVSA-N	584.616	3.567	0	20	KHAD	
CCCn1c(CCC(=O)N(CC)CC(=O)Nc2ccccc2OC)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514390812	WCRCTVRFVDZJMS-UHFFFAOYSA-N	555.701	3.659	0	20	KHAD	
COc1ccc(NC(=O)CCSc2nncn2-c2ccccc2C)cc1S(=O)(=O)N1CCCCC1	514391285	FZKVSECUJXCPBO-UHFFFAOYSA-N	515.661	3.880	0	20	KHAD	
COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Sc2nnc(N3CCOCC3)n2-c2cccc(C)c2)c1	514405726	YRUVRUADHTXBMZ-OALUTQOASA-N	511.648	3.788	0	20	KHAD	
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccccc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C	2048532182	MTZFSMXKSAGRFH-CUVMAEJSSA-N	519.664	3.520	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514294190	ZUZQIGIMCRWYHY-UHFFFAOYSA-N	540.107	3.862	0	20	KHAD	
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OCC(F)(F)F)CC2)c(C)c1	514296438	PSGKEJKQFOEVQX-UHFFFAOYSA-N	633.711	3.613	0	20	KHAD	
COC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514378055	DRVRDYMQCOQKCQ-FQEVSTJZSA-N	532.968	3.660	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@H](O)Cc3ccccc3)n2[C@H](C)COC)c1	514382651	ULPLLZRDRWNLLT-DENIHFKCSA-N	518.705	3.879	0	20	KHAD	
O=C(NCc1ccccc1)C1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1	514385862	XGYNWSHQMRRREM-UHFFFAOYSA-N	511.688	3.739	0	20	KHAD	
CCOc1cc(-c2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)o2)cc(OCC)c1OCC	514395120	CRWSGBUTIARYSX-HOTGVXAUSA-N	564.686	3.938	0	20	KHAD	
O=C(NCc1ccccc1)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1	514385529	KSBKVKOEJVHKRO-UHFFFAOYSA-N	519.667	3.796	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3nnsc3C3CC3)sc2C1)c1cn2cc(Cl)ccc2n1	1817706788	QQPIGMRHYRTFCL-GFCCVEGCSA-N	500.009	3.713	0	20	KHAD	
O=C1CSc2ncc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc(Cl)c5)sc4C3)cc2N1	1822067320	NZVCECOIKYDCHD-AWEZNQCLSA-N	500.005	3.775	0	20	KHAD	
C/C=C\c1ccc(OC[C@@H](O)CN2CCN(C[C@@H](O)COc3ccc(/C=C\C)cc3OC)CC2)c(OC)c1	514295325	DFBJHQCIJMVSOD-UJPNNUPLSA-N	526.674	3.567	0	20	KHAD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3	514379230	QBHZVHOGJCNCPS-UHFFFAOYSA-N	513.645	3.564	0	20	KHAD	
COc1ccc([C@@H](NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2nccn2C)cc1	514390185	APBUGPVSMDNLEI-AREMUKBSSA-N	510.660	3.832	0	20	KHAD	
O=C(CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)N1CCN(c2cccc(Cl)c2)CC1	514394719	ZUYRGNFGCNLQHA-OAQYLSRUSA-N	505.088	3.542	0	20	KHAD	
COCCn1c(S[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)nc2scc(-c3ccccc3Cl)c2c1=O	514395675	QBVGYFGLTYSNIJ-LSDHHAIUSA-N	535.091	3.629	0	20	KHAD	
CN(C)C[C@@H](O)CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1	2048529467	IQINQKMQCQYKAD-HOTGVXAUSA-N	503.962	3.585	0	20	KHAD	
O=C(CSc1nc(-c2cccs2)nc2ccccc12)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514302243	NFLGLUJGXUIGFI-IRXDYDNUSA-N	503.671	3.645	0	20	KHAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnnn1-c1ccc(Cl)cc1	514303418	MPPIUKCFMATJPE-UHFFFAOYSA-N	519.027	3.681	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)Nc2cc(OC)ccc2OC)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514375376	OKJURIUASWPULJ-QGZVFWFLSA-N	545.687	3.886	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1	514381481	GUNIELOIKZMXKG-UHFFFAOYSA-N	565.714	3.502	0	20	KHAD	
Cc1ccc(N(CCC(=O)N2CCC(C(=O)N(C)C)CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	514296609	MIJPYXDGUUWWMO-UHFFFAOYSA-N	525.593	3.926	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1	514303359	KOPUHKHLPOYRID-UHFFFAOYSA-N	527.643	3.859	0	20	KHAD	
CCCCN(C(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1)c1c(O)nc(=O)n(CC(C)C)c1N	514385124	ZEKXHNWSJWCJEH-UHFFFAOYSA-N	538.649	3.542	0	20	KHAD	
CCCn1c(N)c(N(CCOC)C(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c(O)nc1=O	514393371	YFZOEJFVXORAFE-UHFFFAOYSA-N	525.635	3.597	0	20	KHAD	
C[C@@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)N(C)CCOc1ccc(Cl)cc1	514395847	VOSLKJLYPMXXIG-LJQANCHMSA-N	516.067	3.834	0	20	KHAD	
O=C(CSc1nccn1-c1cccc(Cl)c1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O	802662301	RRNSURXYUGUDDA-WOJGMQOQSA-N	500.005	3.866	0	20	KHAD	
CCCn1c(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514292847	PGLCZTZTUDLEAD-UHFFFAOYSA-N	563.746	3.607	0	20	KHAD	
COc1ccc2c(CC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCCC3)coc2c1	514303427	MUZVNMHASPEWAQ-UHFFFAOYSA-N	513.616	3.634	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)Nc3cc(OC)ccc3OC)nnc12	514375873	YBZOGPXGKPVTJX-INIZCTEOSA-N	511.604	3.607	0	20	KHAD	
COc1ccc(C)cc1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514385609	NYMRFECSIZLFEC-UHFFFAOYSA-N	501.468	3.587	0	20	KHAD	
O=C1CSc2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cc(Cl)ccn3)CC4)ccc2N1	1816973867	SSRRDFLYCNGIAT-ZDUSSCGKSA-N	500.005	3.775	0	20	KHAD	
COc1ccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc1-n1nnnc1C	509972746	XGKBZRSSKUHHDE-NRFANRHFSA-N	500.003	3.606	0	20	KHAD	
CCOc1ccc(-n2c(SCC(=O)NCCCOC)nnc2-c2cc(OC)c(OC)c(OC)c2)cc1	514293031	OVMOUHJDRXVHLI-UHFFFAOYSA-N	516.620	3.604	0	20	KHAD	
CCCCn1c(SCc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)nnc1-c1ccc(OC)cc1	514384215	QWARSVROXSDEDW-UHFFFAOYSA-N	557.654	3.846	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc3c(c1)NC(=O)CS3)n2CC	514388067	UJEBAOGPWZRQJW-UHFFFAOYSA-N	515.661	3.702	0	20	KHAD	
COc1ccc(CN2CCN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)CC2)c(OC)c1OC	514402765	MVXLPCQFXNKHQF-UHFFFAOYSA-N	518.035	3.655	0	20	KHAD	
CCn1c(CSc2nnc(CN3CCCC3)n2-c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514292345	MJHLWVOXPZBFHQ-UHFFFAOYSA-N	525.704	3.775	0	20	KHAD	
COc1ccc([C@H](CNC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)N2CCCCC2)cc1	514300088	SIIADAHNACHXGB-SANMLTNESA-N	515.676	3.642	0	20	KHAD	
CCCCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)nnc1[C@H](CC)N(C)C	514375999	YZSYAMFEIYXCEE-XLIONFOSSA-N	510.730	3.897	0	20	KHAD	
CCOc1cccc2cc([C@@H](C)NC(=O)[C@H](CCSC)NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)oc12	514387471	NCDDGIWPQJWWPV-XXBNENTESA-N	589.736	3.581	0	20	KHAD	
CCCCn1c(CCC(=O)NCc2cn3ccccc3n2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514401320	TWJAUBHBESDBJT-UHFFFAOYSA-N	510.664	3.764	0	20	KHAD	
O=C(NCCCc1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1	514402106	FSSQYDJIBSSRJE-UHFFFAOYSA-N	510.538	3.611	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)Nc2ccnn2C(C)C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514291526	FVSMRGBZYALQTN-QGZVFWFLSA-N	517.681	3.646	0	20	KHAD	
CCCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514291634	HTUFDUPCQYAQLQ-UHFFFAOYSA-N	545.687	3.547	0	20	KHAD	
CCOc1cc(-c2nc3c(c(O)nc(=O)n3Cc3ccccc3)n2C[C@H]2CCCO2)cc(Br)c1OCC(=O)N(C)C	514298235	XUIFMYARRYDSGI-HXUWFJFHSA-N	626.508	3.821	0	20	KHAD	
CC(C)c1ccc(Nc2nnc(SCC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)s2)cc1	514300919	TVMSUAXUXGWZPK-RTBURBONSA-N	510.707	3.692	0	20	KHAD	
CCCn1c(CCC(=O)NCCn2c(C)nc3ccccc32)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514401123	MYPULCIJNZVHSJ-UHFFFAOYSA-N	522.675	3.638	0	20	KHAD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F	514401532	YJCSBEYYOXFGGN-UHFFFAOYSA-N	542.536	3.593	0	20	KHAD	
CCc1cc[n+](/C(C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)=C(/O)c2ccc(CCNS(C)(=O)=O)cc2)cc1	912842436	FINIACMWWCMFOD-ACIOBRDBSA-O	500.710	3.618	0	20	KHAD	
Cc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)c(C)n1[C@H]1CCS(=O)(=O)C1	514292347	KIUFEDHNXWOTTQ-HNNXBMFYSA-N	505.687	3.627	0	20	KHAD	
CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1	514297646	YQAAMLFFEZSZEY-UHFFFAOYSA-N	512.657	3.638	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)sc(C(=O)Nc2ccc(C)cc2C)c1C	514299342	LYGVLMPGYZWHHV-SANMLTNESA-N	526.615	3.761	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCc3cnn(-c4ccccc4)c3)n2[C@H](C)COC)c1	514303390	LQXGVDAZVHAVBA-OAQYLSRUSA-N	597.767	3.777	0	20	KHAD	
Cc1cccc(-n2c(SCCC(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)nnc2N2CCOCC2)c1	514304392	SOIRKAWYESPNMM-UHFFFAOYSA-N	591.159	3.971	0	20	KHAD	
C[C@H](c1nnc(SCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(Cl)cc1)N(C)C	514390536	NIOLYSPZLPUINS-GOSISDBHSA-N	552.122	3.735	0	20	KHAD	
CCCCn1c(CCC(=O)NCc2ccc(NC(C)=O)cc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514393917	BBLVFKGRWJUYCS-UHFFFAOYSA-N	525.675	3.828	0	20	KHAD	
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)CC2)c1	514292110	KQKPXOBZVSPYER-UHFFFAOYSA-N	521.643	3.914	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)CC2)cc1	514293158	QNFOOGGQORAWPB-UHFFFAOYSA-N	526.684	3.749	0	20	KHAD	
CCCCN(C(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1	514375869	XXYPGYIJWANOJQ-HXUWFJFHSA-N	592.139	3.793	0	20	KHAD	
CCn1c(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514379268	RQHVSZLHXLZUNS-UHFFFAOYSA-N	526.537	3.547	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2)cc1OCC	514391358	HZLVKFUINHXNBG-UHFFFAOYSA-N	555.701	3.622	0	20	KHAD	
CCOc1cc(-c2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)o2)cc(OCC)c1OCC	514395122	CRWSGBUTIARYSX-JKSUJKDBSA-N	564.686	3.938	0	20	KHAD	
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)n1	514301847	DXDDJNNDDXVXIJ-QGZVFWFLSA-N	505.597	3.556	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CC[C@@H](C)C4)CC1	514375275	OKUYUTLBOMPNEV-SJLPKXTDSA-N	533.716	3.656	0	20	KHAD	
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514380594	QBOKCFXOLXEGBF-UHFFFAOYSA-N	556.468	3.653	0	20	KHAD	
O=C(CSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514384371	NXZWKPWTVGTHED-UXHICEINSA-N	559.735	3.611	0	20	KHAD	
CCCCCn1c(S[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3	514388238	MEOQISUSMHRDIA-HOTGVXAUSA-N	511.735	3.653	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)nnc1-c1ccc(OC)c(OC)c1	514402023	JKSSDNFDLSKBRK-REWPJTCUSA-N	539.702	3.870	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)n1CCN1CCOCC1)N(C)C	514292583	LYRXDUCRYBXGSE-OXQOHEQNSA-N	529.538	3.899	0	20	KHAD	
COC(=O)CCCCCn1c(SCC(=O)Nc2ccc(CN3CCOCC3)cc2)nc2ccccc2c1=O	514303806	ZRBVZWMBLDGYCK-UHFFFAOYSA-N	538.670	3.693	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1	514378008	BPGNCNLAADGCFF-LJQANCHMSA-N	503.690	3.923	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1	514404718	KBCISOYCBBWZQY-OAQYLSRUSA-N	542.683	3.630	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CN2CCC(C(=O)OCC)CC2)sc(C(=O)Nc2ccccc2)c1C	514405398	VJQAJOBTOLTKBB-UHFFFAOYSA-N	501.605	3.699	0	20	KHAD	
CCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OC)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514291798	HAFVJNJTTOUXTI-UHFFFAOYSA-N	563.727	3.945	0	20	KHAD	
COc1ccc(-c2nnc(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)n2-c2ccc(OC)cc2)cc1	514292276	LDFYHCBOCLSSCJ-OAQYLSRUSA-N	544.699	3.715	0	20	KHAD	
Nc1c(N(CCC2=CCCCC2)C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)c(O)nc(=O)n1Cc1ccccc1	514296762	UNDXXCHOOUUYJV-UHFFFAOYSA-N	597.763	3.892	0	20	KHAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)CC1	514300279	NEXMVMMMXPLQCQ-QHCPKHFHSA-N	517.095	3.537	0	20	KHAD	
CC(C)CN(C(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514377876	MLQTWAQFIKIYED-UHFFFAOYSA-N	601.733	3.543	0	20	KHAD	
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c1	514378849	JCIIVZDZWJSSEF-UHFFFAOYSA-N	517.586	3.541	0	20	KHAD	
C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1cccc(C(F)(F)F)c1)C(=O)N(C)C	514383997	OPQARKNXGDCXCM-MRXNPFEDSA-N	569.631	3.543	0	20	KHAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	514384358	PDIIUMNJFNMZRJ-UHFFFAOYSA-N	568.696	3.681	0	20	KHAD	
COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1c(C)nn(C)c1C	514388939	VWLHODIOIYZJFG-UHFFFAOYSA-N	534.660	3.813	0	20	KHAD	
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)C4=CC=C5[C@@H]6CC(C)(C)CC[C@]6(CO)[C@@H](O)C[C@@]5(C)[C@]4(C)CC[C@H]3[C@]2(C)CO)[C@H](O)[C@@H](O)[C@H]1O	2037924105	RYPWXLBMVIZTNY-XPUXQPJXSA-N	618.852	3.856	0	20	KHAD	
CCCn1c(CSc2nnc(C3CC3)n2Cc2ccco2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514381533	ILXFSPCEXUSXTI-UHFFFAOYSA-N	542.687	3.870	0	20	KHAD	
CN(C(=O)CSc1ccccc1C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)C1CCCCC1	514389978	UHEXLWTXBKECHP-UHFFFAOYSA-N	539.727	3.597	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nnc1-c1ccc(OC)c(OC)c1	514402021	JKSSDNFDLSKBRK-NZQKXSOJSA-N	539.702	3.870	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514294420	ZFWQOIGNWLABGD-MRXNPFEDSA-N	529.644	3.598	0	20	KHAD	
Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c1C	514377449	VWUZFYOVIGICRG-JOCHJYFZSA-N	502.615	4.000	0	20	KHAD	
CCCCN(C(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)c1c(O)nc(=O)n(CCC)c1N	514379814	ZJPGGXCURWPJKX-CQSZACIVSA-N	520.681	3.723	0	20	KHAD	
CCCN(CC(=O)Nc1ccccc1OC)CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC(C)C	514386919	IILNQYGVOVOFNO-UHFFFAOYSA-N	548.706	3.802	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@@H](O)COc3ccc(Cl)cc3)n2C)c1	514294263	YNNYZICKLLGEDT-SFHVURJKSA-N	511.069	3.698	0	20	KHAD	
CC(C)[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1	514303024	JDTOAYBVKVYRIL-DENIHFKCSA-N	519.092	3.932	0	20	KHAD	
CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC(c2nc3ccccc3s2)CC1	514400995	ICYIETYXRYOFHR-HXUWFJFHSA-N	564.527	3.998	0	20	KHAD	
COc1cc(-c2nnc(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)n2-c2ccccc2F)cc(OC)c1OC	514291858	HQWAKHQMBAJNRC-LJQANCHMSA-N	592.715	3.863	0	20	KHAD	
Cc1cccc(NC(=O)CN2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)CC2)c1C	514300729	RWIYUMQFKCXUIF-UHFFFAOYSA-N	548.709	3.640	0	20	KHAD	
CCCCn1c(CCC(=O)NCCc2ccc(OC)c(OC)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514380363	ILJJISZBPXPAPR-UHFFFAOYSA-N	542.702	3.930	0	20	KHAD	
O=C(N[C@H]1CCSc2c(F)cccc21)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514389541	JARMRLVLILMXLN-FQEVSTJZSA-N	506.621	3.741	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)cc1	514390042	WBWLCWNNPTVZRJ-SFHVURJKSA-N	525.722	3.813	0	20	KHAD	
C/C=C\c1ccc(OC[C@@H](O)CSc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)c(OC)c1	514400905	DQCKGLPPFLQVAG-GYLQWBMOSA-N	528.650	3.990	0	20	KHAD	
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1	514401519	XZWOERIFYFNRQE-QHCPKHFHSA-N	518.427	3.630	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(Cc4cccs4)n3C3CC3)CC2)cc1C	514404369	FFXRNFPRAQAHNR-UHFFFAOYSA-N	531.729	3.507	0	20	KHAD	
CCc1cccc[n+]1/C(C(=S)NCC(F)(F)F)=C(/O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O	725760771	SZSRJUHDRYWDET-CQSZACIVSA-O	500.588	3.610	0	20	KHAD	
CS(=O)(=O)N1CCCc2cc(/C(O)=C(/C(=S)NCCc3cccs3)[n+]3ccccc3)ccc21	727813399	KFNLZMFFVHKMRK-UHFFFAOYSA-O	500.691	3.791	0	20	KHAD	
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(=N)n(CCC(=O)O)cnc32)C1	2048529285	RTUOSFUOMKGCIT-HXUWFJFHSA-N	512.570	3.996	0	20	KHAD	
CCCCCN(C(=O)CSc1nncn1CCc1cccs1)c1c(O)nc(=O)n(CCCC)c1N	514391379	INCBYJZPTXMIOY-UHFFFAOYSA-N	519.697	3.542	0	20	KHAD	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N[C@@H](C)C(=O)NCCCOC)cc1	514395440	KKDUESUPTNCVMH-HNNXBMFYSA-N	514.442	3.602	0	20	KHAD	
CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1cc(OC)c(OC)c(OC)c1	514403148	VWKJXWYCFISALZ-UHFFFAOYSA-N	535.663	3.517	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	514291153	CQJFLEWTJQPUPJ-SQJMNOBHSA-N	535.663	3.784	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)cc1	514296868	OWFMWNIGGJJHOK-QGZVFWFLSA-N	517.677	3.584	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)CC2)cc1	514297364	VLXKVVRRFAWZQU-VWLOTQADSA-N	518.079	3.897	0	20	KHAD	
COCCCn1c(SCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)nc2cc(Cl)ccc2c1=O	514299515	HDVPYBVRMGTODA-UHFFFAOYSA-N	536.075	3.774	0	20	KHAD	
CC(C)OCCCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc2c1=O	514301835	DQUCHEZHMIFFFS-DLBZAZTESA-N	567.133	3.870	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514375229	MZKBULWPXXXDGD-UHFFFAOYSA-N	602.765	3.927	0	20	KHAD	
O=C(CSc1nnc(N2CCCC2)n1-c1ccccc1Cl)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	514382759	DEPSBZUHFBJPIJ-IBGZPJMESA-N	538.139	3.961	0	20	KHAD	
O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1	514383857	MVNTYMFWKZZIEB-UHFFFAOYSA-N	503.675	3.781	0	20	KHAD	
C[C@H](Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)C(=O)NC(c1ccccc1)c1ccccc1	514393326	WUCUYIFPAKGAST-REWPJTCUSA-N	507.660	3.680	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)N(C)Cc3ccccc3)n2C)c1	514402912	HCTGLIZIHJAHKI-GOSISDBHSA-N	501.678	3.652	0	20	KHAD	
O=C1CSc2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3ccnc(Cl)c3)CC4)ccc2N1	1816971506	QJQJBSDJDIKGBQ-ZDUSSCGKSA-N	500.005	3.775	0	20	KHAD	
CCCCCN(C(=O)CSc1nnc(-c2ccco2)n1CC)c1c(O)nc(=O)n(CCCC)c1N	514291355	DOQSMMOXYFURGS-UHFFFAOYSA-N	503.629	3.518	0	20	KHAD	
CCn1c(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376820	SHZJNGCPYQQJAM-UHFFFAOYSA-N	672.874	3.813	0	20	KHAD	
COc1ccc(C(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1S(=O)(=O)N1CCCCCC1	514394317	TVKRMYNFLOWYAL-UHFFFAOYSA-N	553.685	3.576	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(OC)c2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1	514292328	MDJHOHPHYMOQPA-IBGZPJMESA-N	518.661	3.503	0	20	KHAD	
CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)o1	514300693	QKIASNBWGHVMOD-CALCHBBNSA-N	532.644	3.664	0	20	KHAD	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2)NC12CC3CC(CC(C3)C1)C2	514375529	RBHVBKXJYAXQPU-UHFFFAOYSA-N	651.811	3.920	0	20	KHAD	
CCn1c(SCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514376004	ZAIAWTVGXOXOHX-OAQYLSRUSA-N	591.781	3.502	0	20	KHAD	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccco1	514376780	RDPZASOGKPNWPR-SAJDGTNDSA-N	529.688	3.634	0	20	KHAD	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1	514379594	ALUMAXPWZWVKCH-KDURUIRLSA-N	564.458	3.762	0	20	KHAD	
CCOc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCCC1	514382787	VTNAURNPCFYGIU-UHFFFAOYSA-N	502.589	3.633	0	20	KHAD	
CCOc1ccc(Oc2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1	514385614	OCDLNBXNLSUVTL-GOSISDBHSA-N	524.661	3.671	0	20	KHAD	
O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	514405254	ULFLSTWWDGHYAD-HSZRJFAPSA-N	507.528	3.886	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514291525	FVSMRGBZYALQTN-KRWDZBQOSA-N	517.681	3.646	0	20	KHAD	
CCCn1c(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292042	JKJLDPCNUSZXQL-UHFFFAOYSA-N	697.836	3.852	0	20	KHAD	
COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	514391702	PHWGKWKDWMDUFW-VWPQPMDRSA-N	513.660	3.853	0	20	KHAD	
Cc1ccc(-n2c(SCC(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)nnc2-c2ccncc2)cc1	514392439	XCCLBWBENKXLQU-UHFFFAOYSA-N	562.700	3.920	0	20	KHAD	
CC(C)[C@@H](Sc1nc2ccccc2c(=O)n1CCC1=CCCCC1)C(=O)N[C@H]1CCS(=O)(=O)C1	514403414	UXVZEZZYPZKIRM-SIKLNZKXSA-N	503.690	3.707	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(N3CCCC3)cc2C)c(C(=O)OC)c1C	514380980	ULCLIKGZHWPUSO-LJQANCHMSA-N	583.754	3.577	0	20	KHAD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CC[C@@H](C)C4)c1C	514382981	DGUFPCMFASIWIT-RHSMWYFYSA-N	576.766	3.757	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnnn2-c2c(C)n(C)n(-c3ccccc3)c2=O)sc2c1CC[C@@H](C)C2	514390256	DABZOILUYDEAJB-OAHLLOKOSA-N	567.697	3.554	0	20	KHAD	
CC(=O)c1ccc(NC(=O)CC[C@@H](NC(=O)C(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1	1875251710	KQUAHTFWXYRQTE-RUZDIDTESA-N	514.534	3.533	0	20	KHAD	
CC[C@@H](c1nnc(S[C@H](C)C(=O)c2ccc(Br)cc2)n1CCN1CCOCC1)N(C)C	514375958	XSFQHUCTZPFSKI-APWZRJJASA-N	510.502	3.749	0	20	KHAD	
CCOc1ccc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)cc1S(=O)(=O)N(CC)CC	514377673	DSYFQRBTENVTCY-UHFFFAOYSA-N	500.621	3.734	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CCC(N)=O)c3ccccc3OC)n2CC)cc1	514389533	IVUQBJLKGSYYLT-UHFFFAOYSA-N	510.664	3.821	0	20	KHAD	
O=C(CN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1)Nc1ccccc1	514394019	FRVSMYQYACIKMI-UHFFFAOYSA-N	587.064	3.979	0	20	KHAD	
CN1CCN(c2ccc(-c3cccc(CN4CCN(CCN)CC4)c3)cc2NC(=O)c2cnc(O)cc2C(F)(F)F)CC1	2090608641	XQJRWIQMMZCHHF-UHFFFAOYSA-N	597.686	3.553	0	20	KHAD	
CCCCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)nnc12	514375719	VRQPEGRIRPIOQM-UHFFFAOYSA-N	554.698	3.750	0	20	KHAD	
CCCCn1c(S[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376411	LDJRRFOACBLLON-MRXNPFEDSA-N	613.684	3.510	0	20	KHAD	
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c1C	514377450	VWUZFYOVIGICRG-QFIPXVFZSA-N	502.615	4.000	0	20	KHAD	
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1	514387447	HSVWEEKHAIECIQ-UHFFFAOYSA-N	512.558	3.752	0	20	KHAD	
CCCCn1c(SCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)nnc1[C@@H](CC)N(C)C	514290916	BARTWVAFLBMEQB-OAQYLSRUSA-N	549.767	3.774	0	20	KHAD	
COC(=O)c1c(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)sc2c1CCC2	514292459	MJRYHTVBNXITHH-UHFFFAOYSA-N	643.769	3.675	0	20	KHAD	
C/C=C\c1ccc(OC[C@H](O)CN2CCN(C[C@H](O)COc3ccc(/C=C/C)cc3OC)CC2)c(OC)c1	514295324	DFBJHQCIJMVSOD-FHOQHBHZSA-N	526.674	3.567	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc3c(c1)CCN3C(C)=O)n2CC	514301290	YDBGBNAOGMIGPL-UHFFFAOYSA-N	511.648	3.567	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514380055	ICTUIKNSQJMRBL-UXHICEINSA-N	515.632	3.723	0	20	KHAD	
O=C(CSc1nc2ccccc2n1CCc1ccccc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514383723	JEXFRLNQUZMCMV-FCHUYYIVSA-N	513.685	3.566	0	20	KHAD	
C[C@H](Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514295498	BVLVZNMTVBADAH-YADHBBJMSA-N	584.768	3.954	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1	514296218	KWACNKORKDNAHF-UHFFFAOYSA-N	547.621	3.775	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc([C@H](C)N2CCCCC2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514296760	KPSBOMPVWHTQLQ-RBBKRZOGSA-N	519.737	3.578	0	20	KHAD	
CCOC(=O)c1sc2ncnc(N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)c2c1C	514299400	FDFJNGFVVGUXAV-UHFFFAOYSA-N	507.538	3.956	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(-c2cccs2)n1CC	514376019	ZJZNBWCMIYOCKT-UHFFFAOYSA-N	564.759	3.624	0	20	KHAD	
COc1cccc(NC(=O)COc2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)cc2)c1	514381006	YVJKJVRFCXSOSW-UHFFFAOYSA-N	608.717	3.976	0	20	KHAD	
COc1ccc([C@@H]2CCCN2C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(OC)c1	514391344	HNDRNMHIZQMKFU-SFHVURJKSA-N	504.513	3.740	0	20	KHAD	
COc1ccc(-n2c(S[C@H](C)C(=O)N3CCC(C(N)=O)CC3)nc3sc4c(c3c2=O)CCCC4)cc1	514395035	AWZMXVQKYAVRLF-OAHLLOKOSA-N	526.684	3.539	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCO[C@H](c3ccc(F)cc3)C1)n2CC	514402287	NLZRPTKXYQOFCQ-DEOSSOPVSA-N	516.639	3.759	0	20	KHAD	
C[C@H](c1nnc(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n1-c1ccc(F)cc1)N(C)C	514375730	UUJHIHIAOGPUPM-SIGOSDGXSA-N	500.644	3.916	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CCC(n3c(O)nc4ccccc43)CC1)n2CC(C)C	514386957	AOZOXJOYYJFSIO-UHFFFAOYSA-N	535.649	3.606	0	20	KHAD	
CN(CC1CCC(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C	514402942	UEHCUZOGURANPU-YVMSVADZSA-N	570.818	3.517	0	20	KHAD	
CCO[C@@H](C)c1nc(CC(=O)N2CCN([C@@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)cs1	514404501	FYYRGJQZDQSXGA-HFZDXXHNSA-N	506.672	3.985	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nnsc1C1CC1)CC2)c1c[nH]c2nccc-2c1Cl	1816880009	HXHSIMHFSZWKDT-SNVBAGLBSA-N	500.009	3.893	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	514291308	DDDRMXXLTGANGG-HDICACEKSA-N	587.724	3.822	0	20	KHAD	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)CC1	514298032	ZLSNVBVMDDDYSD-UHFFFAOYSA-N	631.755	3.519	0	20	KHAD	
CCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1C1CCCCCC1)[C@H]1CCS(=O)(=O)C1	514375475	RHOZSCUPHFTIBE-QHCPKHFHSA-N	611.856	3.999	0	20	KHAD	
COc1cc(Br)c(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@@H]2CCCO2)cc1OC	514381399	DENKJPMNPJAUGY-INIZCTEOSA-N	566.474	3.683	0	20	KHAD	
CCCCCn1c(S[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc2c1=O	514389044	XTKKJBNKVLVSCE-INIZCTEOSA-N	537.107	3.727	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccccc1C(=O)N1CCCC1)n2CC	514389066	XZVSBFOVDFAETN-UHFFFAOYSA-N	525.675	3.894	0	20	KHAD	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3nnn(OCc4nnc(-c5ccccc5Br)o4)c3c2)C1	514293756	WVXKAGPQXPGOSF-HUUCEWRRSA-N	547.435	3.539	0	20	KHAD	
CC(C)CCN(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514297668	YVPDVVWKWIPFRW-HSZRJFAPSA-N	506.603	3.830	0	20	KHAD	
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)N1CCN(C(=O)c2cccs2)CC1	514299046	CRGLQFOJOIRVAY-GOSISDBHSA-N	536.683	3.744	0	20	KHAD	
CCn1c(CCC(=O)N2CC[C@@H](C)Sc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514390365	HTCVGRMOIXPACP-LJQANCHMSA-N	528.700	3.927	0	20	KHAD	
CCCn1c(CS[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395044	BBXYPKZGEIHCEJ-DENIHFKCSA-N	558.726	3.729	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1	514380642	RFMYJOVMSMJGPF-BGYRXZFFSA-N	567.730	3.555	0	20	KHAD	
CCOc1cccc2cc([C@H](C)NC(=O)[C@@H](CCSC)NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)oc12	514387470	NCDDGIWPQJWWPV-WMZHIEFXSA-N	589.736	3.581	0	20	KHAD	
O=C(CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2	514394325	TZMFVRXNPRDWLZ-QUECEVDISA-N	577.707	3.904	0	20	KHAD	
C[C@H](Sc1nnc(CCC(N)=O)n1C[C@H]1CCCO1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1	514395401	JMJXDDSKQIWHGZ-SCWSEQNSSA-N	557.076	3.980	0	20	KHAD	
O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	514291930	JLOYBVMTHHYZMF-UHFFFAOYSA-N	548.090	3.609	0	20	KHAD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CC[C@H](C)C4)c1C	514383208	DGUFPCMFASIWIT-YOEHRIQHSA-N	576.766	3.757	0	20	KHAD	
CCCn1c(CCC(=O)NCCCn2cnc3ccccc32)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514388172	VXZMTIUYXUSGRB-UHFFFAOYSA-N	522.675	3.720	0	20	KHAD	
COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	514391698	PHWGKWKDWMDUFW-ONTIZHBOSA-N	513.660	3.853	0	20	KHAD	
Cc1nnsc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)sc2C1	1821555136	WFHQYEHZIUZLRQ-ZDUSSCGKSA-N	500.009	3.886	0	20	KHAD	
CN(Cc1cccc(Cl)c1)C(=O)CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	514403124	IROPHUQNVZETDN-UHFFFAOYSA-N	542.123	3.622	0	20	KHAD	
CCn1c(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	514404771	MEDCFDZDUNMYFP-WOJBJXKFSA-N	579.741	3.879	0	20	KHAD	
Cn1nccc1-c1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccncn4)sc3C2)sc1Cl	1817432566	SWAUWTSHGIRYOT-NSHDSACASA-N	500.009	3.588	0	20	KHAD	
CNc1nsnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnc4ccc(Cl)cc4c3)sc2C1	1823989318	ORRDSSDHHNGZMY-ZDUSSCGKSA-N	500.009	3.778	0	20	KHAD	
CCCCN(C(=O)CSc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514293934	XSTTZTNJOLUNOD-UHFFFAOYSA-N	616.748	3.909	0	20	KHAD	
CCOc1cc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)ccc1OCC(=O)N1CCCCC1	514294288	ZRIHYGZSAKNDGF-UHFFFAOYSA-N	532.435	3.916	0	20	KHAD	
CN(C)S(=O)(=O)c1ccc(OCCSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1	514405597	YEXLSBYELWKTEE-FQEVSTJZSA-N	506.625	3.685	0	20	KHAD	
CC[C@H](C)n1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514291424	FCJOWSNSJHPHGI-KRWDZBQOSA-N	548.691	3.658	0	20	KHAD	
CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1	514292323	MCJRDLGMXJKETE-DNVCBOLYSA-N	513.664	3.859	0	20	KHAD	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCN(C(=O)C(C)C)CC2)cc1	514298113	YENUAGTYGNZGON-UHFFFAOYSA-N	538.464	3.589	0	20	KHAD	
CCOc1ccccc1CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514299142	ASTAQHKVJPPKGD-UHFFFAOYSA-N	516.538	3.619	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(C)n(CCCOC)c3C)nnc12	514375643	UHTOXLNCDROQJI-UHFFFAOYSA-N	511.648	3.901	0	20	KHAD	
Cc1ccc(C)c(OC[C@H](O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)c1	514380794	QMBSALRKGWWNOQ-QHCPKHFHSA-N	584.720	3.756	0	20	KHAD	
COCCCn1c(SCC(=O)N(C)[C@@H]2CCCc3ccccc32)nc2cc(C(=O)OC)ccc2c1=O	514382883	BIIZWJHXZVFFNL-HSZRJFAPSA-N	509.628	3.848	0	20	KHAD	
COc1ccc(-c2nnc(SCC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)n2C2CCCCC2)cc1OC	514384728	UCBYZKKOJNGHON-UHFFFAOYSA-N	558.749	3.619	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nc(CN3CCOCC3)nc3ccccc23)ccc1C	514391696	NBWDTCGTWJQGDE-UHFFFAOYSA-N	543.715	3.532	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2cnc3c(cnn3C(C)C)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514403644	WRKLPSPHOZHKBA-UHFFFAOYSA-N	553.689	3.754	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1	514405390	VDHGQFPFVJTKNM-UHFFFAOYSA-N	512.632	3.613	0	20	KHAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1sccc1S(=O)(=O)N1CCCCC1	514393028	LHKTVLYVVGYTMN-UHFFFAOYSA-N	514.467	3.704	0	20	KHAD	
CC(C)[C@@H](NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccc2c(c1)OCCCO2	514401485	WIDMWFNUWWJIEM-HHHXNRCGSA-N	548.606	3.936	0	20	KHAD	
Cn1c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5c(Cl)cncc5s4)sc3C2)cccc1=O	1815843084	QTDJTRYHAXFVEC-LLVKDONJSA-N	500.005	3.645	0	20	KHAD	
C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1	514291653	IACDPCJHOQHADL-CVDCTZTESA-N	590.772	3.578	0	20	KHAD	
COc1ccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1S(=O)(=O)NC1CCCC1	514293686	VSFOPFJDVAVOQK-UHFFFAOYSA-N	514.431	3.934	0	20	KHAD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1	514299704	OPILYHBIKIFQQE-UHFFFAOYSA-N	570.634	3.673	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)Nc1nc2ccc(OC)cc2s1)c1c(O)nc(=O)n(CCCC)c1N	514377228	OBODFCNRFUVCOZ-UHFFFAOYSA-N	530.651	3.892	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1	514382343	JWCBWJWFGVRPIQ-UHFFFAOYSA-N	504.552	3.856	0	20	KHAD	
COc1ccc(CCn2c(C)cc(C(=O)CSc3nnc(CCC(N)=O)n3C[C@@H]3CCCO3)c2C)cc1OC	514395372	JBUNPMUOOHHXML-NRFANRHFSA-N	555.701	3.528	0	20	KHAD	
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1	514401345	UUDCNHFDRJKAGN-UHFFFAOYSA-N	549.649	3.847	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3cnc4cc(Cl)ccn34)sc2C1)c1nnsc1C1CC1	1816073731	WOYFYDHPWYKQES-GFCCVEGCSA-N	500.009	3.713	0	20	KHAD	
CNc1nsnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4c(Cl)ccnc4c3)sc2C1	1823896857	YXGJJBMNTXEELW-NSHDSACASA-N	500.009	3.778	0	20	KHAD	
COCCCn1c(SCC(=O)N2CCN(C)CC2)nc2scc(-c3ccccc3Cl)c2c1=O	514291037	CHZWXAFBHQZGPK-UHFFFAOYSA-N	507.081	3.681	0	20	KHAD	
CCn1c(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CC[C@@H](C)C3	514299251	DYIRACBZOKDKDB-CVEARBPZSA-N	551.781	3.972	0	20	KHAD	
COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)NCc1ccccc1CN1CCOCC1)CC2	514304422	SZORDMWIPBBDBS-GDLZYMKVSA-N	521.683	3.861	0	20	KHAD	
O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccncc2)CC1	514390531	NCWVOQRBELDXAR-NBZVVWIMSA-N	551.691	3.726	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1	514403432	VHEKIIYNGMUMEG-MJGOQNOKSA-N	502.637	3.898	0	20	KHAD	
O=C(CSCc1nc(O)c2c3c(sc2n1)CCCC3)Nc1cccc(S(=O)(=O)N2CCCC2)c1	514297786	XJLHRVIEKCYLRX-UHFFFAOYSA-N	518.686	3.932	0	20	KHAD	
CCCCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)nnc12	514374994	JNRARTBNCFXKCA-UHFFFAOYSA-N	542.687	3.524	0	20	KHAD	
Cc1occc1-c1nnc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1	514384840	ZIVXEJZWABMWEM-OAQYLSRUSA-N	514.673	3.945	0	20	KHAD	
O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	514393511	DBSMIWOWQSNIPX-QGZVFWFLSA-N	576.469	3.707	0	20	KHAD	
CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N(CCOC)c4c(O)nc(=O)n(CC(C)C)c4N)nnc23)cc1	514291852	IIPUBUMSTMJPLA-HXUWFJFHSA-N	646.774	3.819	0	20	KHAD	
COc1cc(Br)c(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1OC	514383195	IBMCHVZAKIBPGP-UHFFFAOYSA-N	533.466	3.750	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1)[C@H]1CCS(=O)(=O)C1	514383816	LYLVACIVUISONR-AWEZNQCLSA-N	508.449	3.719	0	20	KHAD	
COCCCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](c3ccc(OC)cc3)C(C)C)nnc12	514402596	CWWFPLDXVMHYGY-QHCPKHFHSA-N	509.632	3.695	0	20	KHAD	
CN(Cc1nc2ccccc2s1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1	514404152	AGFJRHVWUYBAHX-FQEVSTJZSA-N	501.674	3.786	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccccc3)n2C)c1	514293058	RGRNSGQTMPEGGL-ZWKOTPCHSA-N	501.678	3.871	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)cc1	514299273	JIMKLOYYUSUZJF-UHFFFAOYSA-N	579.741	3.890	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514376724	QBSAFQOFYNRPSJ-UHFFFAOYSA-N	644.738	3.756	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)N(Cc3ccco3)CC(F)(F)F)nnc12	514392135	USFFCCWKKIQZMH-UHFFFAOYSA-N	523.537	3.747	0	20	KHAD	
Cc1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc(S(=O)(=O)N2CCC(C)CC2)c1C	514393010	KJVIPZLFXUNMAL-UHFFFAOYSA-N	505.662	3.516	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)Nc2cc(F)ccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395004	AIDKMIHFGBWQMZ-MRXNPFEDSA-N	506.625	3.644	0	20	KHAD	
NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)c1	479842133	YRTSZWKHYODVEH-UHFFFAOYSA-N	500.005	3.966	0	20	KHAD	
CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)c(C(=O)OCC)c1C	514292223	IRAJAIUHCRSCIB-UHFFFAOYSA-N	550.655	3.652	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1	514301883	GCAZWORAEGNZRT-NRFANRHFSA-N	592.788	3.752	0	20	KHAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1	514383263	FQUKPXJQHAMKBW-UHFFFAOYSA-N	590.797	3.811	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)cc1S(=O)(=O)N(CC)CC	514386225	IDWGAXSLEHDHBR-UHFFFAOYSA-N	530.676	3.835	0	20	KHAD	
Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1C	514401642	AXIMLKWVXKZOTJ-UHFFFAOYSA-N	507.660	3.893	0	20	KHAD	
C[C@]1(c2ccccc2C(=O)O)[C@@H](c2ccccc2C(=O)O)[C@H](COC(=O)c2ccccc2)O[C@H]1n1ccc(O)nc1=O	2048529380	UTAKMXJZJMIWGV-JTOZTLTGSA-N	570.554	3.841	0	20	KHAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	514295029	FTUHCPRWVQHIRV-UHFFFAOYSA-N	516.538	3.779	0	20	KHAD	
CCn1c(SCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514374382	AXWXAEYOSYVQBN-UHFFFAOYSA-N	610.684	3.958	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc(Br)cc2F)c(O)nc1=O	514380825	VAGBCDHVFSTZHF-UHFFFAOYSA-N	526.407	3.641	0	20	KHAD	
COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	514391701	PHWGKWKDWMDUFW-SJBKTWHCSA-N	513.660	3.853	0	20	KHAD	
CCOc1ccc(OC[C@H](O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2CCCOC)cc1	514392255	WDDAOBDMNJUOGW-IBGZPJMESA-N	503.621	3.930	0	20	KHAD	
CC(=O)N1CCN(C(=O)[C@H](C)Sc2nc3scc(-c4ccc(C)cc4)c3c(=O)n2C[C@@H]2CCCO2)CC1	514395075	BTVFNFFDLDETRW-RXVVDRJESA-N	540.711	3.784	0	20	KHAD	
CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccc2c(c1)OCCO2	514404419	GXURTFKOGWBQEL-SANMLTNESA-N	530.643	3.533	0	20	KHAD	
COc1ccc(OCc2nnc(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)n2-c2ccccc2F)cc1	514375539	RJJPMMOMSRXXBG-LJQANCHMSA-N	562.689	3.758	0	20	KHAD	
Cc1cc(C)c(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)n2)cc1C	514381364	BUJSKNPTPHPRFB-UHFFFAOYSA-N	556.710	3.845	0	20	KHAD	
CCO[C@H](C)c1nc(CC(=O)N2CCN([C@@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)cs1	514404503	FYYRGJQZDQSXGA-QFQXNSOFSA-N	506.672	3.985	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4cc(OC)ccc4OC)cs3)CC2)c(C(=O)OC)c1C	514294762	AUUXRNQSENSPQO-UHFFFAOYSA-N	623.731	3.810	0	20	KHAD	
CCOc1ccc(NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1	514300579	YZXOFVBEMVSTCG-JOCHJYFZSA-N	569.771	3.607	0	20	KHAD	
CC(C)CN(CC(C)C)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1	514376273	FRZDLVDOIJZLMF-UHFFFAOYSA-N	575.757	3.840	0	20	KHAD	
COCCN(C(=O)CSc1nnc(COc2ccccc2F)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1	514385362	FMBRIETWHQMCND-LLVBAIKDSA-N	580.748	3.748	0	20	KHAD	
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1nc2ccccc2n1C(F)F	514392338	VVPMLDZPZOLHPC-INIZCTEOSA-N	534.585	3.871	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N(C)Cc2ccccc2OC(F)(F)F)c(O)nc1=O	514404699	IZSWDAPRDSYLJD-UHFFFAOYSA-N	541.571	3.658	0	20	KHAD	
COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O	514405377	UPSDYTNQEHQPML-RTBURBONSA-N	564.458	3.762	0	20	KHAD	
Cc1ncc(/C=C/C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(Cl)nc5n[nH]cc45)sc3C2)s1	1816068899	OLDAXKUBLHURKM-JOAKQRRISA-N	500.009	3.772	0	20	KHAD	
CCOc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)cc1S(=O)(=O)N(CC)CC	514292385	KRJBTZRZIHYZIN-HXUWFJFHSA-N	507.678	3.606	0	20	KHAD	
CCCCN(C(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1c(O)nc(=O)n(CCC)c1N	514295617	LPESRPCOTFYBPC-UHFFFAOYSA-N	541.674	3.668	0	20	KHAD	
CCOC(=O)c1sc2nc(CN(C)C)nc(N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)c2c1C	514299110	DNILZAZUXZWZEJ-UHFFFAOYSA-N	524.691	3.616	0	20	KHAD	
CCc1cccc(CC)c1-n1c(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccnc1	514299350	DHVXQRCTNIVEAW-DNQXCXABSA-N	569.753	3.741	0	20	KHAD	
O=C(Nc1ccc(CN2CCOCC2)cc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514299413	FIROPXMBTYHKIY-UHFFFAOYSA-N	512.459	3.865	0	20	KHAD	
C[C@H](Sc1nc2ccc(Br)cc2c(=O)n1CCC1=CCCCC1)C(=O)N[C@H]1CCS(=O)(=O)C1	514387983	KYGAYJOPYDGOTN-YJBOKZPZSA-N	554.532	3.833	0	20	KHAD	
CCn1c(SCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)nnc1-c1ccc(Cl)cc1	514296697	NQIPLSWNJBDOEL-JOCHJYFZSA-N	516.067	3.909	0	20	KHAD	
O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514387260	DXJPOGRISXKOEL-JOCHJYFZSA-N	519.664	3.804	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccc(Cl)cc3)c3nccn3C)CC2)cc1C	514387960	KKWXSUDASJNAOV-HSZRJFAPSA-N	501.052	3.997	0	20	KHAD	
COc1ccc(CC(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)cc1S(=O)(=O)N1CCOCC1	514389240	DLBRDNULCAHTHH-QGZVFWFLSA-N	515.657	3.568	0	20	KHAD	
CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)cc1	514293440	UURBRSCLKRDFSX-UHFFFAOYSA-N	607.737	3.529	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nnc(COc2ccc(OC)cc2)n1-c1ccccc1F)[C@@H]1CCS(=O)(=O)C1	514389061	XYCJBZRYDOVAJF-QZTJIDSGSA-N	548.662	3.510	0	20	KHAD	
CCOc1ccc([C@@H](CNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c2c[nH]c3ccccc23)cc1OC	514389205	CBJOSGMLHOXNHJ-BHIFYINESA-N	503.599	3.999	0	20	KHAD	
COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1Br	514403276	XSMJDIJSSAGBEL-UHFFFAOYSA-N	541.464	3.837	0	20	KHAD	
C[C@@H](C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCc4cc(OCCCC(=O)O)ccc43)N2C1=O)N(C)C(=O)OC(C)(C)C	2048526635	DEMXROZKCRNOIT-KYLNZKAQSA-N	658.793	3.538	0	20	KHAD	
Cc1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)CN3C(=O)N[C@@]4(C[C@@H](C)CC(C)(C)C4)C3=O)s2)c(=O)n(-c2ccccc2)n1C	514300294	NMXJGORERSQQHQ-FNLTVNSOSA-N	640.792	3.531	0	20	KHAD	
COc1cc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2C2CCCCC2)cc(OC)c1OC	514374737	GDWXCQQLMAXNNK-UHFFFAOYSA-N	561.686	3.854	0	20	KHAD	
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)c1	514377253	PARZUXJHDPCDLE-UHFFFAOYSA-N	523.577	3.658	0	20	KHAD	
COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1	514378782	JRAPDEJHDHBQPL-UHFFFAOYSA-N	635.786	3.926	0	20	KHAD	
CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1	514385625	OMJQBQRCAKLAJT-JOCHJYFZSA-N	532.504	3.856	0	20	KHAD	
C[C@@H](Sc1nc2ccc(Br)cc2c(=O)n1CCC1=CCCCC1)C(=O)N[C@@H]1CCS(=O)(=O)C1	514387980	KYGAYJOPYDGOTN-CRAIPNDOSA-N	554.532	3.833	0	20	KHAD	
CCc1ccc(OCc2nnc(S[C@@H](C)C(=O)N(CC)[C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2)cc1	514391040	DYHDDVXYABPOQV-REWPJTCUSA-N	542.727	3.984	0	20	KHAD	
CC(C)NC(=O)CN1CCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)CC1	514393132	OSQUEAOEXWHAPL-UHFFFAOYSA-N	509.651	3.625	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)oc(C)c1C(C)=O	514403076	QWTKKDYNCBVCIO-MRXNPFEDSA-N	513.572	3.587	0	20	KHAD	
CCOC(=O)c1sc2nc(CN(C)C)nc(N(C)CC(=O)Nc3cc(Cl)ccc3OC)c2c1C	514297755	UMDKISAIDITOLM-UHFFFAOYSA-N	506.028	3.975	0	20	KHAD	
CN(Cc1ccccc1Br)C(=O)CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1	514304722	XRGHXVZDVXJTQA-SFHVURJKSA-N	508.486	3.961	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1	514378116	RVGBVISEUOKUKX-IBGZPJMESA-N	535.688	3.543	0	20	KHAD	
COc1cc(OC)c(OC)cc1CNC(=O)CSc1nc2ccccc2c(=O)n1CCCOC(C)C	514386005	AMADOWOZQOVOBX-UHFFFAOYSA-N	515.632	3.646	0	20	KHAD	
O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	514389351	FBRRCXNRGRRTTH-CQSZACIVSA-N	503.572	3.715	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nc3ccccc3c(=O)n2C2CC2)c1	514400829	BOISZZAMOGPCCH-UHFFFAOYSA-N	516.645	3.501	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(CCOC)c1nc3ccccc3s1)n2C	514402865	SFDRWJFCUXHIJM-UHFFFAOYSA-N	529.688	3.826	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(F)cc1Br	514300021	LDGFWOCXPZAAFS-UHFFFAOYSA-N	501.374	3.649	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514381997	CPDXLQJOBSWOGZ-UHFFFAOYSA-N	563.746	3.655	0	20	KHAD	
O=C(Nc1ccccc1)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1	514385712	SBHXAOXETZOHPN-UHFFFAOYSA-N	509.672	3.843	0	20	KHAD	
O=C(CN1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1)Nc1ccc(OC(F)(F)F)cc1	514401379	WGXDGWLUMSMJNM-UHFFFAOYSA-N	524.927	3.762	0	20	KHAD	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nnc(N2CCOCC2)n1-c1cccc(C)c1	514404599	JNWMEHGXTRYOJJ-UHFFFAOYSA-N	511.648	3.570	0	20	KHAD	
CC(C)C[C@@H](NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCCOCCOCCN	2332239630	YRJDBNNKOCUVLA-GMTSZFNJSA-N	661.796	3.563	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1	514299369	DJBGYTCLBLGBFB-SFHVURJKSA-N	545.687	3.723	0	20	KHAD	
Cc1cccc(N2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4[C@@H]3CCS(=O)(=O)C3)CC2)c1C	514300191	UWKQXWAOTPLDTC-OAQYLSRUSA-N	507.660	3.556	0	20	KHAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)CC1	514302337	CZMPFYMIGQWWKU-UHFFFAOYSA-N	513.067	3.573	0	20	KHAD	
COc1ccc(Cc2nnc(S[C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)cc1	514375906	ZUYWAIHDOREBDC-QGZVFWFLSA-N	516.645	3.963	0	20	KHAD	
COc1ccc([C@H]2CCCCCN2C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)cc1	514388673	WDQHYPSTQBFKQZ-RUZDIDTESA-N	540.686	3.679	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3cc(Cl)ccn13)CC2)c1nnsc1C1CC1	1817706611	LMPCEIHAXGHDKI-LBPRGKRZSA-N	500.009	3.713	0	20	KHAD	
Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1csnn1)CC2	1820730529	CSRBYZKMRNXSFC-ZDUSSCGKSA-N	500.009	3.588	0	20	KHAD	
CNc1nsnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnc4cccc(Cl)c4c3)sc2C1	1824312378	XGWAVQHWDFEKMB-NSHDSACASA-N	500.009	3.778	0	20	KHAD	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1)NC1CCCCC1	514290801	ABDBUNLUBSGQRQ-UHFFFAOYSA-N	573.716	3.694	0	20	KHAD	
CCCn1c(SCC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCC)nc2sc3c(c2c1=O)CCC3	514374707	GKOSANXHIXURIX-UHFFFAOYSA-N	534.685	3.733	0	20	KHAD	
CCOc1cc(C(=O)N(CC)CC(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCC(=O)N1CCCCC1	514378236	CMLOXYMFYMKINZ-UHFFFAOYSA-N	524.618	3.536	0	20	KHAD	
CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)n1CCN1CCOCC1)N(C)C	514387636	GXQVCSPFOTWXPU-FXAWDEMLSA-N	539.544	3.813	0	20	KHAD	
Cc1nc(-c2ccc(CCNC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)s2)cs1	514389811	NHPQVFUDMJOQLQ-UHFFFAOYSA-N	533.697	3.711	0	20	KHAD	
O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1	514404992	PGYONTJDWXKNDL-UHFFFAOYSA-N	588.446	3.853	0	20	KHAD	
Nc1nc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(-n4cccn4)cc2Cl)CC3)cs1	1815133004	YRUQCHASFOWXLK-NSHDSACASA-N	500.009	3.561	0	20	KHAD	
CCn1c(CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292592	MCJFJXSYBXCDTC-OAQYLSRUSA-N	586.715	3.946	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)NCc2cc(OC)c(OC)cc2OC)n1-c1ccc(OC)cc1)N(C)C	514301687	BZIXZZLJTKPNGX-HXUWFJFHSA-N	529.663	3.723	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nc3sc(C)c(CC)c3c(=O)n2C[C@@H]2CCCO2)sc(C(N)=O)c1C	514375819	WKLQOCOHJCRBPV-AWEZNQCLSA-N	578.738	3.884	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1	514380644	RFMYJOVMSMJGPF-WOJBJXKFSA-N	567.730	3.555	0	20	KHAD	
O=C(CSc1nnc(CN2CCCC2)n1Cc1ccccc1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	514390257	DAKOJYIXKBNWNN-UHFFFAOYSA-N	580.780	3.778	0	20	KHAD	
CCc1ccc(OCc2nnc(S[C@H](C)C(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2)cc1	514391035	DYHDDVXYABPOQV-NFBKMPQASA-N	542.727	3.984	0	20	KHAD	
C[C@H]1CN(C(C)(C)CNC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)C[C@@H](C)O1	514392944	IIGLSZUFAXNRDT-IYBDPMFKSA-N	595.398	3.616	0	20	KHAD	
O=C1CSc2ncc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3ccc(Cl)cc3)CC4)cc2N1	1824222766	LDDOXCDZBYVKRB-AWEZNQCLSA-N	500.005	3.775	0	20	KHAD	
O=C(CSc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514293051	PCVNOJMHJQGWLD-UHFFFAOYSA-N	646.239	3.868	0	20	KHAD	
CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)CC1	514298898	AIYFRNJZUQHOGT-MRXNPFEDSA-N	501.454	3.737	0	20	KHAD	
Cc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C(=O)NC1CC(C)(C)NC(C)(C)C1	514299812	JCJAYRPPQSWTPE-UHFFFAOYSA-N	539.702	3.633	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H](c1ccc3c(c1)OCCO3)C(C)C)n2C	514300828	RSGNOTLBOZWUSR-MHZLTWQESA-N	528.675	3.821	0	20	KHAD	
COc1cc(NC(=O)CSc2nnc(N3CCC[C@@H](C)C3)n2Cc2ccco2)cc(OC)c1OC	514392959	IWHYBNRSYABHQR-MRXNPFEDSA-N	501.609	3.912	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3c(Cl)cccn13)CC2)c1nnsc1C1CC1	1817706408	GKRKVRLFQONONG-LLVKDONJSA-N	500.009	3.713	0	20	KHAD	
CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1	514292701	OXQOWXSQXLPHDG-UHFFFAOYSA-N	536.672	3.794	0	20	KHAD	
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1	514386786	BYSKGOZWBXQTNE-UHFFFAOYSA-N	541.670	3.790	0	20	KHAD	
C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1nc2ccccc2n1C(F)F	514392339	VVPMLDZPZOLHPC-MRXNPFEDSA-N	534.585	3.871	0	20	KHAD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	514404206	CAAZSDODIBIRLM-UHFFFAOYSA-N	511.566	3.902	0	20	KHAD	
O=C1CSc2ncc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc(Cl)c5)sc4C3)cc2N1	1822067324	NZVCECOIKYDCHD-CQSZACIVSA-N	500.005	3.775	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)n1-c1ccc(OC)cc1)N(C)C	514294364	XNMISYBXGMBOHS-OHUGHZGNSA-N	602.783	3.817	0	20	KHAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cccc(I)c3)c12	514300184	UPOIIZPIXCTXJK-MRXNPFEDSA-N	536.395	3.834	0	20	KHAD	
CCOc1cc(-c2nnc(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)o2)cc(OCC)c1OCC	514302247	NIRFYZFOCDLINQ-GOSISDBHSA-N	541.692	3.697	0	20	KHAD	
CCOc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N(CC)CC	514377764	IECBQFJOMYCKDV-UHFFFAOYSA-N	523.677	3.543	0	20	KHAD	
COc1ccc(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1S(=O)(=O)N(C)Cc1ccccc1	514388492	VJGCTQAHRSBXQN-UHFFFAOYSA-N	537.686	3.700	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(=O)n4ccsc4n3)n2CC(C)C)c1	514291047	CLIOHYIEGBVAJJ-UHFFFAOYSA-N	532.717	3.993	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCc3nc4ccc(S(=O)(=O)N(CC)CC)cc4[nH]3)nnc12	514302082	AUNINUHWKOJBFF-UHFFFAOYSA-N	569.713	3.670	0	20	KHAD	
COCCCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nc2cc(C(=O)OC)ccc2c1=O	514304710	XBWXQNXFGLVBOH-UHFFFAOYSA-N	594.612	3.806	0	20	KHAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)CC1	514383166	ZSTDCDUVNFUJTB-UHFFFAOYSA-N	576.719	3.796	0	20	KHAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3	514386669	XUGKZIJSVCERHJ-UHFFFAOYSA-N	535.489	3.744	0	20	KHAD	
CCCn1c(CSCCC(=O)Nc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401797	DXTFCCOTHCPESV-UHFFFAOYSA-N	502.662	3.729	0	20	KHAD	
CCOc1ccccc1OCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C	514405730	YSUUGTNHXROGMH-UHFFFAOYSA-N	506.621	3.691	0	20	KHAD	
CCCn1c(CCC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514405738	YVMRTIKXXNUUEH-HXUWFJFHSA-N	574.773	3.727	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nnsc1C1CC1)CC2)c1cn2c(Cl)cccc2n1	1818123104	JBGBKPUZXUEDLF-LLVKDONJSA-N	500.009	3.713	0	20	KHAD	
O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514292680	OMSKGEROSVGJLX-UHFFFAOYSA-N	551.591	3.705	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1	514298778	FPNZFQOYMKPVNQ-UHFFFAOYSA-N	533.094	3.690	0	20	KHAD	
CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)sc2c1CCSC2	514301711	CPHAXYZIFNLGLP-UHFFFAOYSA-N	524.686	3.762	0	20	KHAD	
O=C(CSc1nc(-c2cccs2)nc2ccccc12)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514302244	NFLGLUJGXUIGFI-SJORKVTESA-N	503.671	3.645	0	20	KHAD	
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	514377289	QEMZAKZFMZYCAP-FQEVSTJZSA-N	580.050	3.870	0	20	KHAD	
COCCCN(C(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514379846	VKYRCHBCARCYFY-UHFFFAOYSA-N	511.019	3.567	0	20	KHAD	
CCCCn1c(CCC(=O)N(CC)Cc2cccc(F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514385055	YLIPOLPBNIFZBM-UHFFFAOYSA-N	530.666	3.978	0	20	KHAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)OC	514386918	IIKGDWGCQZUXLC-HXUWFJFHSA-N	540.535	3.849	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1	514392893	GRQPMMKOXZIJNX-UHFFFAOYSA-N	549.740	3.649	0	20	KHAD	
C/C=C/c1ccc(OC[C@H](O)CSc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)c(OC)c1	514400904	DQCKGLPPFLQVAG-CRTIWDKESA-N	528.650	3.990	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CSCC(=O)N(C)C2CCCCC2)c1	514291612	GRCIHPKSRHKBDO-UHFFFAOYSA-N	524.753	3.780	0	20	KHAD	
CC(=O)N[C@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccc(Br)cc1	514300657	QPWHBLBAMNBEJM-OAQYLSRUSA-N	555.395	3.818	0	20	KHAD	
CCCCN1C(=O)CC[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)[C@H]1c1ccccc1OC	514400902	DPSFRZFRPAOEKE-NEKDWFFYSA-N	573.712	3.833	0	20	KHAD	
COCCCn1c(SCC(=O)NC(=O)N[C@@H](C)COC)nc2scc(-c3ccccc3Cl)c2c1=O	514403100	ICEGJJTUXOKDOH-AWEZNQCLSA-N	539.079	3.768	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c3cc(Cl)ccc13)CC2)c1nnsc1C1CC1	1817708230	FPHIENJFQQWDJF-NSHDSACASA-N	500.009	3.941	0	20	KHAD	
CCCCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C(C)C)c1c(O)nc(=O)n(CCC)c1N	514292647	PAJGSLDOJXGQAJ-UHFFFAOYSA-N	534.708	3.836	0	20	KHAD	
CN(C)C(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)cc1	514292982	PSUJXHQAWKHCGF-SFHVURJKSA-N	526.684	3.948	0	20	KHAD	
O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514293913	ZYQIFTXKNQHTJT-UHFFFAOYSA-N	608.540	3.851	0	20	KHAD	
C[C@@H](NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)[C@H]1C[C@H]2CC[C@H]1C2	514293962	YDTPAPOTDHVBPU-OEMYIYORSA-N	504.678	3.944	0	20	KHAD	
CCOc1cc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)cc(Br)c1OCC(=O)N(C)C	514297768	RZZNYCAKYUJJFM-UHFFFAOYSA-N	553.479	3.602	0	20	KHAD	
CCOc1ccc(NC(=O)[C@H](CCSC)NC(=O)c2ccccc2OC)cc1S(=O)(=O)N1CCCCC1	514298825	HPPPGHIHPXGEES-NRFANRHFSA-N	549.715	3.759	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1	514386964	AURMZBUUQZLKBR-OAQYLSRUSA-N	507.653	3.660	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4cc(Cl)ccc34)sc2C1)c1snnc1C1CC1	1819275536	WOWZNOWKMYFGFD-LLVKDONJSA-N	500.009	3.941	0	20	KHAD	
CCn1c(SCC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)nnc1-c1cccc(C)c1	514299272	JHXYIEDXFNMNTC-UHFFFAOYSA-N	506.676	3.765	0	20	KHAD	
CCn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	514404769	MEDCFDZDUNMYFP-UXHICEINSA-N	579.741	3.879	0	20	KHAD	
CCOC(=O)c1sc2nc(C)nc(Sc3nnc([C@@H](CC)N(C)C)n3CCN3CCOCC3)c2c1C	514298808	GTGMNVZCFSECOG-QGZVFWFLSA-N	533.724	3.572	0	20	KHAD	
O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514299881	JRFPFDWYCOXWSP-RBUKOAKNSA-N	565.783	3.739	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)nnc1-c1ccc(OC)c(OC)c1	514301866	FMJIXVKTOFJWMH-GOSISDBHSA-N	577.729	3.805	0	20	KHAD	
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(C3CC3)n2CCC(N)=O)cc1OC	514303067	SNCQSAJESOWSHZ-GOSISDBHSA-N	540.671	3.580	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1	514375734	UYPUWSAFVMPGTE-QFIPXVFZSA-N	513.689	3.854	0	20	KHAD	
Cc1ccc(NC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccccc2C(F)(F)F)cc1S(N)(=O)=O	514385007	WQRHUGOCHBMODX-UHFFFAOYSA-N	568.647	3.959	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2ccc3ccccc3n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514390834	WJMBRVVHUKLZMI-UHFFFAOYSA-N	521.643	3.977	0	20	KHAD	
CCCCn1c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)nnc1[C@@H](CC)N(C)C	514404516	GIOGGGVLAXVHFU-QGZVFWFLSA-N	517.121	3.725	0	20	KHAD	
Cc1cc(N(C(=O)c2ccc(F)nc2F)[C@@H](C(=O)NCC2CC2)C2=NO[C@@H]3OCC[C@H]23)ccc1OC1CCOCC1	2088606493	YTGOBFFQXAGZCF-ROQFYEMFSA-N	570.593	3.516	0	20	KHAD	
COc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2C)cc1S(=O)(=O)N1CCCCC1	514291410	FSQQIEUFGFUPLE-UHFFFAOYSA-N	515.661	3.705	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)sc(C(N)=O)c1C	514293444	RTMYMAMTJGNFFM-MRXNPFEDSA-N	547.634	3.640	0	20	KHAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)N(CC)CC(=O)Nc3ccc(NC(C)=O)cc3)nc(=O)c2c1C	514295571	FGOYKHUGPMCJGR-UHFFFAOYSA-N	573.697	3.539	0	20	KHAD	
CCCCCN(C(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1)c1c(O)nc(=O)n(CCCC)c1N	514379056	NCYDZNUPJCYYMI-UHFFFAOYSA-N	581.743	3.829	0	20	KHAD	
CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1	514380811	RBNGFZMTQVXALD-FCHUYYIVSA-N	538.483	3.629	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1	514387180	KGIYIGIQMQZZSF-UHFFFAOYSA-N	514.570	3.995	0	20	KHAD	
CCCCn1c(SCC(=O)c2ccc(CCNC(C)=O)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514299955	MBSKCNWSTMZDIH-UHFFFAOYSA-N	516.689	3.740	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1cc(Br)ccc1F	514376073	BDOSFTLERCBVEB-UHFFFAOYSA-N	526.428	3.852	0	20	KHAD	
Cc1c(NC(=O)CSCC(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c(=O)n(-c2ccccc2)n1C	514380833	VIJJPQPYJQOMTM-UHFFFAOYSA-N	679.665	3.727	0	20	KHAD	
CCCCc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	514380978	UJRBXPKHELXAPZ-XMMPIXPASA-N	533.716	3.540	0	20	KHAD	
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)N2CCCC2)cc1	514292151	LXFLCTPGDDWTBY-FQEVSTJZSA-N	556.548	3.873	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1	514292605	OHPUVMGADRTTFD-UHFFFAOYSA-N	566.105	3.988	0	20	KHAD	
COc1ccc(NC(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)cc1S(=O)(=O)N1CCCCC1	514293827	WRTKVURFWVOKDK-UHFFFAOYSA-N	570.741	3.777	0	20	KHAD	
CC(C)CCN(C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514296407	PDNPFFNGEHTQSO-UHFFFAOYSA-N	635.791	3.653	0	20	KHAD	
O=C(CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)Nc1ccc(Br)c(C(F)(F)F)c1	514302711	QUYRZEXUUFYOAW-AWEZNQCLSA-N	550.401	3.806	0	20	KHAD	
O=C(CSc1ncnc2ccccc12)N1CCC(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1	514379938	XGFYAWOEKFWDTK-UHFFFAOYSA-N	607.680	3.512	0	20	KHAD	
CCOc1cc2c(cc1CNC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)O[C@@H](C)C2	514384794	XFHCHORVLQUINK-PKOBYXMFSA-N	538.670	3.583	0	20	KHAD	
C[C@H]1CCc2c(sc3nc([C@@H](C)N4CCC(C(=O)Nc5ccc(S(N)(=O)=O)cc5)CC4)nc(O)c23)C1	514401082	LITPCNPARKMYQR-LSDHHAIUSA-N	529.688	3.581	0	20	KHAD	
CSc1ncccc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)cc3nn[nH]c13)CC2	1820980708	UKDDVJPAWBZSNY-NSHDSACASA-N	500.009	3.724	0	20	KHAD	
CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO[C@@]4(c5ccc(Cl)c(Cc6ccc(OCC)cc6)c5)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1	2048532153	JCJKULUVIFDVLR-TZOXASSXSA-N	815.740	3.838	0	20	KHAD	
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)n2C)cc1	514292509	NCGAIWIFSAJYER-UHFFFAOYSA-N	515.661	3.705	0	20	KHAD	
CCCCCN(C(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1)c1c(O)nc(=O)n(CCCC)c1N	514296172	QDZMAMGHUMHDPP-GOSISDBHSA-N	503.669	3.923	0	20	KHAD	
CN(C)[C@H](CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1)c1ccccc1	514375039	KHVUNPIJUFDPCS-AREMUKBSSA-N	598.795	3.592	0	20	KHAD	
CCc1cccc(CC)c1NC(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC	514375722	UNGNALMKQVFHJN-UHFFFAOYSA-N	516.689	3.933	0	20	KHAD	
COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(-c3ccc(F)cc3)n1C[C@H]1CCCO1)CC2	514381140	ZBKRTLMIKAKYCT-OAQYLSRUSA-N	512.607	3.957	0	20	KHAD	
O=C(CN1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)CC1)Nc1ccc(F)cc1	514385741	SUEVQGIJHGVLME-JOCHJYFZSA-N	577.686	3.620	0	20	KHAD	
CC[C@H](C)[C@H](NC(=O)CN(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C)C(=O)OC	514386937	ACTLINKDUKAWEL-JMQGSBJISA-N	524.662	3.503	0	20	KHAD	
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	514393386	YXKKGPYKOVWEHZ-UHFFFAOYSA-N	509.550	3.981	0	20	KHAD	
O=C(Nc1cccc(Cl)c1-n1cncn1)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1	642143976	OBAMRZKKDOZXDN-UHFFFAOYSA-N	500.005	3.982	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc3ccccc3c(=O)n2CCC2=CCCCC2)c(O)nc1=O	514292349	LJYRUFCLSZVHOS-UHFFFAOYSA-N	582.727	3.703	0	20	KHAD	
O=C(CSc1nnc(-c2ccccc2Br)o1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	514302554	GKQGALGTAUPHSX-OAHLLOKOSA-N	514.467	3.940	0	20	KHAD	
Cc1cc(-c2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3csnn3)CC4)n[nH]2)ccc1Cl	1815841396	BQCBZCRGYKMUNI-GFCCVEGCSA-N	500.009	3.886	0	20	KHAD	
CCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514293412	UQIKTUXUOZDPAB-FQEVSTJZSA-N	636.800	3.944	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	514297438	WEKBFZMEZFCXHL-GOSISDBHSA-N	590.020	3.793	0	20	KHAD	
CCCCN(C(=O)CSc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCCC)c1c(O)nc(=O)n(CC(C)C)c1N	514375217	MSKPWXOGWHUYHT-UHFFFAOYSA-N	607.803	3.513	0	20	KHAD	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1)Nc1ccnn1C1CCCC1	514376417	LKUBFPRFMBAPTE-UHFFFAOYSA-N	597.723	3.650	0	20	KHAD	
CCOc1ccc(-n2c(COc3ccc(Cl)cc3C)nnc2S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1	514387940	JVJCKKBHDJBLFH-MJGOQNOKSA-N	565.117	3.991	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCC[C@H](c2nnc3n2CCCCC3)C1	514391600	MBKHBOHGXYDASC-DEOSSOPVSA-N	521.687	3.965	0	20	KHAD	
O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1	514394066	HHRWYIAHEWSULG-VWLOTQADSA-N	540.686	3.905	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c(O)nc1=O	514394978	ZEKZVHHUYRMUNL-MRXNPFEDSA-N	507.582	3.598	0	20	KHAD	
CCn1c(CCC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376989	JQOPVUOOHKDZAQ-UHFFFAOYSA-N	585.708	3.789	0	20	KHAD	
COCCCn1c(SCCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nnc1-c1ccc(OC)c(OC)c1	514391514	KCWZURZXYXKTML-UHFFFAOYSA-N	589.740	3.904	0	20	KHAD	
CC(C)(C)N(C(=O)O)[C@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F	114421444	FYHQGRMJSGKZPN-LBPRGKRZSA-N	507.435	3.836	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)n1-c1ccc(OC)cc1)N(C)C	514293077	POBYWQQBFCCBJB-QHCPKHFHSA-N	512.655	3.869	0	20	KHAD	
Cc1ccccc1OCc1nnc(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)n1-c1ccccc1	514375816	XAFQJJFPQPGYJE-QFIPXVFZSA-N	528.700	3.919	0	20	KHAD	
Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(S(=O)(=O)N5C[C@H](C)O[C@H](C)C5)cc4)CC3)c2c1C	514383938	HYRVBFRZWAKRGF-CALCHBBNSA-N	543.715	3.961	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)n1CCN1CCOCC1)N(C)C	514386362	MCFVMVXYEXFBSV-XUZZJYLKSA-N	546.738	3.822	0	20	KHAD	
Cc1noc(C)c1S(=O)(=O)N1CCCN(c2nc(-c3cccnc3)nc3sc4c(c23)CCC4)CC1	514390331	GFVXOGLAOQCMJX-UHFFFAOYSA-N	510.645	3.748	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c(O)nc1=O	514395635	PHIPDWBKVSVTSY-INIZCTEOSA-N	566.688	3.566	0	20	KHAD	
Cn1nccc1-c1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cncnc2)CC3)sc1Cl	1816061265	RNBOBWVBYKJWKK-LBPRGKRZSA-N	500.009	3.588	0	20	KHAD	
C=CC(=O)NCc1ccccc1C(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)c(OC)c2)C1=O	2088604740	XVWPONHOELZNEW-DEDYPNTBSA-N	531.537	3.565	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514378721	VYQPWCMGHDNMDB-UHFFFAOYSA-N	647.820	3.612	0	20	KHAD	
COc1ccc(Cl)cc1-c1nc(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)n[nH]1	514384582	QWOKBUQXYAHRSZ-AWEZNQCLSA-N	513.066	3.503	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCC[C@H](C)C3)n2[C@H](C)COC)c1	514292338	KHQXBZPXWAFWPP-RBUKOAKNSA-N	523.725	3.534	0	20	KHAD	
O=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2	514301357	ZTSAHMHYBUEMAW-KRWDZBQOSA-N	507.494	3.788	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514377115	XOEWTGQRTNKUBT-TZIWHRDSSA-N	513.685	3.770	0	20	KHAD	
COc1ccc(CSc2nnc(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)s2)cc1	514384762	WILGJIXGGSGJKF-KRWDZBQOSA-N	513.732	3.889	0	20	KHAD	
O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccncc2)CC1	514390530	NCWVOQRBELDXAR-FAOMPSFFSA-N	551.691	3.726	0	20	KHAD	
Cn1c(CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514390969	DRNNDJVDZMZENW-HSZRJFAPSA-N	538.670	3.815	0	20	KHAD	
COC(=O)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@@](C)(OC(=O)[C@@H](C[C@H]1CCNC1=O)NC(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@H]1CCNC1=O	1911530815	QZTPJSZXBIOROJ-RFOYOVRXSA-N	877.090	3.821	0	20	KHAD	
O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	514293083	RNKIBZZPGRXTGO-RBUKOAKNSA-N	524.734	3.626	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n1-c1ccc(OC)cc1)N(C)C	514294366	XNMISYBXGMBOHS-ZYLNGJIFSA-N	602.783	3.817	0	20	KHAD	
Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2nc3n(c(=O)c12)CCCCC3	514296303	NZRYBJWGUWFBIA-IYBDPMFKSA-N	530.672	3.543	0	20	KHAD	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1)Nc1cccc(F)c1	514375218	MTKFODKZICJRHU-UHFFFAOYSA-N	545.662	3.951	0	20	KHAD	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1)NCC1CCCCC1	514375434	PZKPESDRRROVOB-UHFFFAOYSA-N	547.747	3.870	0	20	KHAD	
O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F	514378139	SKALTJIUSNKSJW-UHFFFAOYSA-N	606.641	3.766	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2OC)cc1S(=O)(=O)N(CC)CC	514378877	YRBOLJYVQXYLAJ-UHFFFAOYSA-N	533.676	3.744	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1	514381499	HFNMDEYSHKSSGH-FQEVSTJZSA-N	502.605	3.745	0	20	KHAD	
C[C@H](Sc1nc2ccc(Br)cc2c(=O)n1CCC1=CCCCC1)C(=O)N[C@@H]1CCS(=O)(=O)C1	514387981	KYGAYJOPYDGOTN-MAUKXSAKSA-N	554.532	3.833	0	20	KHAD	
COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc(OC)c1Br	514405350	SWOLSMPDXFBHES-UHFFFAOYSA-N	568.490	3.730	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3cnc4c(Cl)cccn34)sc2C1)c1nnsc1C1CC1	1816078192	PUSDYHJYRQUCAL-LLVKDONJSA-N	500.009	3.713	0	20	KHAD	
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O	514298080	XTFQFIWOPJQPQM-MYYSRTQBSA-N	535.022	3.589	0	20	KHAD	
CCc1cc2c(=O)n(CCc3ccccc3)c(S[C@@H](C)C(=O)N(CC)[C@H]3CCS(=O)(=O)C3)nc2s1	514389029	XQMUWRHTDACTQD-HKUYNNGSSA-N	533.741	3.779	0	20	KHAD	
CC(C)CCNC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1	514395237	GDUUUTGVGFUGKQ-FQEVSTJZSA-N	575.732	3.796	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1snnc1C1CC1)CC2)c1cn2ccc(Cl)cc2n1	1818588481	DNGMLSHQHAXKKO-GFCCVEGCSA-N	500.009	3.713	0	20	KHAD	
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1	514293366	QQWDSRRVVNYZKG-HXUWFJFHSA-N	573.716	3.647	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@@H](Cc3ccccc3)C(C)=O)n2[C@@H](C)COC)c1	514374923	IGLDGBMZMWRXGX-CPJSRVTESA-N	587.768	3.592	0	20	KHAD	
O=C(CSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514384372	NXZWKPWTVGTHED-VQTJNVASSA-N	559.735	3.611	0	20	KHAD	
COCCCn1c(SCC(=O)NCCOc2ccc(Cl)cc2)nnc1-c1ccc(OC)c(OC)c1	514385668	PXKOONXMAZOKIJ-UHFFFAOYSA-N	521.039	3.940	0	20	KHAD	
COc1ccc([C@H](CNC(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)N2CCOCC2)cc1OC	514394603	PDXGJAUXDDKGPX-HKUYNNGSSA-N	546.715	3.842	0	20	KHAD	
Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(-c3ccccc3Cl)[nH]n1)CC2	1817604409	LKKPDHCOCUPPAS-NSHDSACASA-N	500.009	3.886	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCc3ccccc3F)n2[C@@H](C)COC)c1	514297345	SBFVXMAHMYPMKW-SFHVURJKSA-N	549.694	3.731	0	20	KHAD	
CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1	514300680	QBJPIPJLKCJAHH-UHFFFAOYSA-N	580.629	3.727	0	20	KHAD	
CN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3OCC(F)(F)F)cc2C1=O	514377884	MUIUFNFIQRSMTH-UHFFFAOYSA-N	539.532	3.671	0	20	KHAD	
CCCn1c(CCC(=O)NCc2cnn(-c3ccccc3)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514391795	OPHDCIOJJAHFFE-UHFFFAOYSA-N	520.659	3.666	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)nc2cc(C(=O)OC)ccc2c1=O	514395437	KHKLWWUVXNVYOA-IAGOWNOFSA-N	543.642	3.595	0	20	KHAD	
CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1ccc(OC)c(OC)c1	514401845	GNWYRSVNCCNKMU-UHFFFAOYSA-N	505.637	3.508	0	20	KHAD	
CCN(C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	514292416	LWYCBJFWVFYMMQ-LJQANCHMSA-N	522.693	3.595	0	20	KHAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1S(=O)(=O)N1CCCc2ccccc21	514376377	JPMUYISARQKFAE-UHFFFAOYSA-N	640.784	3.710	0	20	KHAD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CC[C@@H](C)C4)c1C	514382974	DGUFPCMFASIWIT-PBHICJAKSA-N	576.766	3.757	0	20	KHAD	
CCc1cccc[n+]1/C(C(=S)NCC(F)(F)F)=C(/O)c1ccc2c(c1)CCCN2S(C)(=O)=O	725759479	CTOOTSOEJXVXLR-UHFFFAOYSA-O	500.588	3.612	0	20	KHAD	
Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)CC2)c1C	4794078	PWPFDTXQVPOXSX-UHFFFAOYSA-N	526.522	3.877	0	20	KHAD	
CCOCCCn1c(SCC(=O)Nc2nc(CC(=O)OCC)cs2)nc2cc(Cl)ccc2c1=O	514298295	ZKWKSTYEVQQNAQ-UHFFFAOYSA-N	525.052	3.769	0	20	KHAD	
CCOc1cc(C(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)ccc1OCC(=O)N1CCCCC1	514299459	GQTANHHIASAONQ-UHFFFAOYSA-N	513.610	3.582	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1	514384343	OOGURAPOBOLHLR-WOJBJXKFSA-N	550.703	3.633	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)NC(C)(C)C	514296073	JGHYCWOARUVTAY-UHFFFAOYSA-N	544.095	3.852	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(-c1ccc(OCC(=O)N3CCCC3)c(OC)c1)n2Cc1ccccc1OC	514298291	ZJWRMDDXTGVBFU-UHFFFAOYSA-N	561.639	3.832	0	20	KHAD	
CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1	514298637	DGVCSWGNIFEQPG-UHFFFAOYSA-N	532.059	3.595	0	20	KHAD	
CCOCCCn1c(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nc2ccc(Br)cc2c1=O	514381542	ISTUQEGMIJYPRU-INIZCTEOSA-N	597.557	3.955	0	20	KHAD	
Cc1cc(Br)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514294079	YDRMPWLLOIEKQJ-UHFFFAOYSA-N	509.422	3.958	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)CSc2nnc(C)n2-c2ccccc2OC)cc1	514380777	QCHYWRZQGAWDKD-KRWDZBQOSA-N	517.677	3.584	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)CSc2nnc(C)n2-c2ccccc2OC)cc1	514380778	QCHYWRZQGAWDKD-QGZVFWFLSA-N	517.677	3.584	0	20	KHAD	
COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)N3CCN(Cc4csc(C)n4)CC3)c2)cc1Cl	514393774	JTYWSOZVABZSFR-UHFFFAOYSA-N	565.117	3.905	0	20	KHAD	
C[C@@H](c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	514401079	LITPCNPARKMYQR-CABCVRRESA-N	529.688	3.581	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C	514291253	CGJDDGPIFYRYQY-YADARESESA-N	514.692	3.865	0	20	KHAD	
CCn1c(CCC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293540	RXJNVLKRSFTGEX-UHFFFAOYSA-N	599.113	3.904	0	20	KHAD	
O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCN(C(=O)CCC(=O)N2CCc3sccc3C2)CC1	514390743	UQORISBYKVLVCD-LJAQVGFWSA-N	530.694	3.615	0	20	KHAD	
CCOC(=O)c1sc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@H]2CCCO2)cc1C	514394137	QQOXVBLCPKBQHV-QGZVFWFLSA-N	507.682	3.971	0	20	KHAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c(Br)c1	514402993	VGFJXPHZNLNQBN-INIZCTEOSA-N	511.442	3.512	0	20	KHAD	
CC1CCN(c2nnc(S[C@H](C)C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)n2C2CC2)CC1	514404729	KGDJHYHJNLAGRQ-QGZVFWFLSA-N	506.698	3.655	0	20	KHAD	
CCCCCN(C(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1c(O)nc(=O)n(CCCC)c1N	514375208	MJVOYABSJQFIPZ-IBGZPJMESA-N	570.716	3.536	0	20	KHAD	
CCCCn1c(CCC(=O)N(CC)Cc2ccc3c(c2)OCO3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514385021	XAYUXKMMSBTGQM-UHFFFAOYSA-N	556.685	3.567	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1CCN(Cc3ccccc3)CC1)n2CC	514391135	HJEBWZFZOVQBPM-UHFFFAOYSA-N	525.719	3.800	0	20	KHAD	
Nc1ncc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(-n4cccn4)cc2Cl)CC3)s1	1815195895	BIQNEHNZRHNJKW-NSHDSACASA-N	500.009	3.561	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3nnsc3C3CC3)sc2C1)c1cn2ccc(Cl)cc2n1	1817708536	VFWLHJBDRXWREU-GFCCVEGCSA-N	500.009	3.713	0	20	KHAD	
COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CSc3ncnc4sc5c(c34)CCCC5)nc(=O)c12	514384221	RBLGJDXMSUCQPM-UHFFFAOYSA-N	516.626	3.663	0	20	KHAD	
COc1ccc(CN2CCN(C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)CC2)c(OC)c1OC	514392809	CSJYILHUABCYRW-UHFFFAOYSA-N	501.530	3.923	0	20	KHAD	
CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)[C@H]1c1ccccc1OC	514400903	DPSFRZFRPAOEKE-QDPGVEIFSA-N	573.712	3.833	0	20	KHAD	
COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)c1c(O)nc(=O)n(CC(C)C)c1N	514291832	HJPTUXCNABUUJL-UHFFFAOYSA-N	602.783	3.724	0	20	KHAD	
CCn1c(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3	514301402	ZPPZDZQOCNBILT-HNNXBMFYSA-N	537.754	3.726	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(Br)cc2)o1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	514375790	VYPKXMKUXBYSBD-KRWDZBQOSA-N	514.467	3.940	0	20	KHAD	
C[C@@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccco2)CC1	514384252	RRDBPKOJIQOIRT-QGZVFWFLSA-N	515.039	3.579	0	20	KHAD	
Cc1cc(C)c(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c(C)c1	514380042	HZNZUJDZEOYZRW-UHFFFAOYSA-N	515.554	3.624	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nncn1-c1ccccc1C	514386417	OFXAIKMNLGGBAD-UHFFFAOYSA-N	515.661	3.880	0	20	KHAD	
COCc1nc(OC)c2c(C)c(C(=O)N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)sc2n1	514391029	XWRRZVNYVKNWEJ-UHFFFAOYSA-N	545.470	3.608	0	20	KHAD	
Cc1cn2c(=O)c(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc(Cl)c5)sc4C3)cnc2s1	1822063881	HSOFNNBTCJAYLU-AWEZNQCLSA-N	500.005	3.714	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1)n2C	514293241	UGUNFDYHLWNZPQ-HHHXNRCGSA-N	555.745	3.888	0	20	KHAD	
Cc1cccc(-n2c(S[C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)nc3cc(Cl)ccc3c2=O)c1C	514387693	ITAAYDOJGWPEQP-AEFFLSMTSA-N	520.076	3.782	0	20	KHAD	
CCCc1noc(CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2[C@H](C)COC)n1	514394008	FGFNGSPHMWRMOJ-MRXNPFEDSA-N	508.670	3.811	0	20	KHAD	
COCCCN(CC(=O)Nc1cccc(C(=O)N(C)C)c1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	514395926	XGWHMVBDVUBYNU-UHFFFAOYSA-N	535.972	3.727	0	20	KHAD	
CCn1c(CSc2nnc(-c3ccco3)n2CC(C)C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514294253	ZWVBPLZYGBEHHK-UHFFFAOYSA-N	530.676	3.877	0	20	KHAD	
CCCCCn1c(CCC(=O)Nc2cc(NC(C)=O)ccc2OC)nc2c1c(O)nc(=O)n2CCCC	514302301	OLIMIEVOSIOCFV-UHFFFAOYSA-N	512.611	3.827	0	20	KHAD	
CC(C)[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1	514303027	JDTOAYBVKVYRIL-UGKGYDQZSA-N	519.092	3.932	0	20	KHAD	
COc1cc(OC)c(OC)cc1C=c1sc(=CC(=O)C(C)(C)C)n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O	514382022	YUKRYXWYHDRNDL-UHFFFAOYSA-N	552.693	3.724	0	20	KHAD	
COc1cc(CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)ccc1OC(F)F	514384690	SLZINYWNXVORPP-UHFFFAOYSA-N	511.591	3.809	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1	514388557	PEECNDBAUWTXEB-RDJZCZTQSA-N	500.086	3.612	0	20	KHAD	
O=C(c1ccccc1)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1	514393548	DZDFNUSWICGOPP-FQEVSTJZSA-N	519.461	3.971	0	20	KHAD	
CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1S(=O)(=O)N1CCCCC1	514402523	BJLLMVOYTJKHHC-UHFFFAOYSA-N	523.677	3.541	0	20	KHAD	
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	514403751	PIYDVPLLZUPWSN-UHFFFAOYSA-N	537.682	3.792	0	20	KHAD	
CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1-c1cccc(C)c1	514404762	LXXCSIDDHLXLEL-FQEVSTJZSA-N	522.675	3.552	0	20	KHAD	
CCCCCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1c(O)nc(=O)n(CCCC)c1N	514379738	XXVOOKSEYFEMHC-UHFFFAOYSA-N	533.695	3.733	0	20	KHAD	
CCOC(=O)c1sc2[nH]c([C@H](C)Sc3nnc(N4CCOCC4)n3Cc3ccccc3)nc(=O)c2c1C	514383089	FVKWEBZYTFBXEJ-INIZCTEOSA-N	540.671	3.799	0	20	KHAD	
CCOC(=O)c1sc2[nH]c([C@@H](C)Sc3nnc(N4CCOCC4)n3Cc3ccccc3)nc(=O)c2c1C	514383090	FVKWEBZYTFBXEJ-MRXNPFEDSA-N	540.671	3.799	0	20	KHAD	
CCCCCn1c(SCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCC3	514391547	MIWGQUILQMJUOA-MRXNPFEDSA-N	549.744	3.732	0	20	KHAD	
CC[C@H](O)c1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	2048528997	XKPLPNZCIVWPTP-GVYVVWIYSA-N	616.715	3.972	0	20	KHAD	
Cc1cccc(OC[C@H](O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C2CCCC2)c1	514293746	WOZPSDGCWNZGMW-QHCPKHFHSA-N	558.726	3.922	0	20	KHAD	
CCCCn1c(CCC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514294907	CXQRZAWDFFPQMT-UHFFFAOYSA-N	672.657	3.630	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c(O)nc1=O	514377968	APGLOGAJSQYCJG-UHFFFAOYSA-N	574.531	3.728	0	20	KHAD	
COc1ccc2cc(CNC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)ccc2c1	514393091	NKUKBXNXBIAVBC-UHFFFAOYSA-N	510.612	3.727	0	20	KHAD	
CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1=O	514291728	GNGFEAOVLKSVPG-FGZHOGPDSA-N	506.647	3.865	0	20	KHAD	
COc1cc(OC)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1Cl	514300336	OZQZTYGEHJBXRK-AWEZNQCLSA-N	504.996	3.900	0	20	KHAD	
CCCCCN(C(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1c(O)nc(=O)n(CCCC)c1N	514291837	HKLDVDRBVBIQTR-UHFFFAOYSA-N	504.588	3.836	0	20	KHAD	
CCc1c(C)sc2nc(S[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)n(C[C@H]3CCCO3)c(=O)c12	514293927	UXPGYPLVUOXXIU-UYAOXDASSA-N	606.792	3.648	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)cc1	514299776	ICWKQRBXEDQDBT-OPAMFIHVSA-N	524.481	3.924	0	20	KHAD	
COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(C3CC3)n2CCC(N)=O)cc1OC	514303068	SNCQSAJESOWSHZ-SFHVURJKSA-N	540.671	3.580	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CCCOC)sc(C(=O)NC)c1C	514375885	YVEIWQOOQCOWPJ-UHFFFAOYSA-N	567.089	3.723	0	20	KHAD	
CCC[C@H]1NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(OC(F)F)c(OC)c2)C1=O	514376825	SJNUZPDGGGCDNL-GDBMZVCRSA-N	506.531	3.756	0	20	KHAD	
Cc1cc(NC(=O)CSc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)n([C@H]2CCS(=O)(=O)C2)n1	514391512	LUSDFALFZMTORG-ZDUSSCGKSA-N	548.594	3.776	0	20	KHAD	
Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)cc1S(=O)(=O)N(C)C	514403592	VNVZCFVQJUOXHH-UHFFFAOYSA-N	532.688	3.501	0	20	KHAD	
Cc1cc(CN2CCN(C(=O)Nc3ccc(NC(=O)[C@@H](C)n4nc(C)cc4C)c(Cl)c3)CC2)on1	519502498	XNDWABVZHCGOCP-GOSISDBHSA-N	500.003	3.999	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)Cc3ccc(OCC)cc3)nnc12	514292543	NOIJXFTYIMNMDD-UHFFFAOYSA-N	509.632	3.620	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1C)[C@H]1CCS(=O)(=O)C1	514387333	CSAAGGPUHKEXFX-AEFFLSMTSA-N	520.076	3.864	0	20	KHAD	
CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)ccc1OCC(=O)N1CCCCC1	514291752	HEDYZUBIAQKYHH-UHFFFAOYSA-N	517.648	3.758	0	20	KHAD	
COc1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2C)cc1S(=O)(=O)N1CCCCC1	514293930	XPUZJQDQNYXPJB-UHFFFAOYSA-N	515.661	3.798	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1C(C)C)[C@H]1CCS(=O)(=O)C1	514388980	WTVAMHVAWAFCNX-ICSRJNTNSA-N	513.689	3.969	0	20	KHAD	
Cc1ccn2c(=O)c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3ccc(Cl)s3)CC4)cnc2c1	1818514035	FDIURZVZWOCROR-LBPRGKRZSA-N	500.005	3.714	0	20	KHAD	
Cc1cc(C)c(NC(=O)CNC(=O)CNc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)c(C)c1	514299918	KQNGKDUNMFMGPH-UHFFFAOYSA-N	530.691	3.740	0	20	KHAD	
COc1ccc(NC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1S(=O)(=O)N1CCCCC1	514378151	SUEUMZFBOBZAEC-CJFMBICVSA-N	533.647	3.538	0	20	KHAD	
CCOc1cc(C(=O)N(CC)Cc2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCC(=O)N1CCCCC1	514379797	ZBWAJBMGWWJIOF-UHFFFAOYSA-N	552.628	3.805	0	20	KHAD	
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1-c1ccccc1C	514382758	DDSRAAFBWLCYBW-HXUWFJFHSA-N	522.675	3.552	0	20	KHAD	
Cc1ccn2c(CN3CCN(C(=O)C4CCN(c5ccc(C(F)(F)F)cn5)CC4)CC3)c(C)nc2c1	514388197	WKLICKLZUBBZMT-UHFFFAOYSA-N	500.569	3.926	0	20	KHAD	
CCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)nnc1[C@H](CC)N(C)C	514291966	JBUAZCZAQLAOGZ-IPJJNNNSSA-N	552.767	3.620	0	20	KHAD	
COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)CCC(=O)N2c2ccc(OC)cc2)cc1	514296945	TVVMWEMMYYQKQP-YZNIXAGQSA-N	609.701	3.856	0	20	KHAD	
CCn1c(Cc2ccccc2)nnc1SCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC	514375949	XQQUIYOHIVSKSX-UHFFFAOYSA-N	526.688	3.572	0	20	KHAD	
C[C@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccco2)CC1	514384250	RRDBPKOJIQOIRT-KRWDZBQOSA-N	515.039	3.579	0	20	KHAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CCCOC(C)C)c(O)nc1=O	514386113	DJFBUGMTYHUSAF-UHFFFAOYSA-N	579.123	3.655	0	20	KHAD	
COc1ccc([C@H]2CCCN2C(=O)CSc2nnc(N3CCOCC3)n2-c2ccc(C)cc2)cc1OC	514395731	RMNZHKZVCMLHOW-JOCHJYFZSA-N	523.659	3.885	0	20	KHAD	
Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1	514403225	KIYCFAGLZZMGDH-OAHLLOKOSA-N	506.053	3.994	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c(O)nc1=O	514294905	DFDAKVJPKMTKOD-UHFFFAOYSA-N	597.616	3.577	0	20	KHAD	
COc1cc(Cl)c(C)cc1NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514295919	GOGSBXFMAOFUAF-UHFFFAOYSA-N	537.082	3.719	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccc4c(c3)OCCO4)C(C)C)CC2)cc1	514383502	KFDZLOOCGVCZLL-VWLOTQADSA-N	500.617	3.575	0	20	KHAD	
O=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnc(Cl)s4)sc3C2)=Cc2ccccc2N1	1820785540	NLGCUXQOSDZSPK-ZDUSSCGKSA-N	500.005	3.905	0	20	KHAD	
COCC(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)O)O1)OC	135932513	RPXRWNOYALKECG-VWYRBUOESA-N	591.742	3.867	0	20	KHAD	
CCc1c(C)sc2nc(S[C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)n(C[C@H]3CCCO3)c(=O)c12	514294411	YZMFJVZWPRQVFX-ZWKOTPCHSA-N	544.699	3.566	0	20	KHAD	
Cc1cc(Br)ccc1NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514296852	OUNNWCGMRVIHEB-UHFFFAOYSA-N	551.507	3.819	0	20	KHAD	
CCCCn1c(CCC(=O)N2CCN(c3cccc(OC)c3)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514297858	VQNINZSNDWFTMA-UHFFFAOYSA-N	553.729	3.911	0	20	KHAD	
C[C@H](Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)o1)c1ccccc1	514386230	IJNXOZUBABRUBJ-LJQANCHMSA-N	526.684	3.530	0	20	KHAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1	514403127	IXGOCBRBVDALMQ-UHFFFAOYSA-N	541.490	3.701	0	20	KHAD	
COc1ccc([C@@H](NC(=O)CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)C(C)C)cc1	514298761	DYWNAGZZVBTNSE-VWLOTQADSA-N	506.569	3.784	0	20	KHAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1	514299404	FAZZRUKDAXKXJZ-JOCHJYFZSA-N	516.541	3.523	0	20	KHAD	
CCCn1c(CCC(=O)N2CCN(Cc3cccc4ccccc34)CC2)nc2cc(S(N)(=O)=O)ccc21	514300864	TXOJTRJMYATFGJ-UHFFFAOYSA-N	519.671	3.524	0	20	KHAD	
COc1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	514379168	OANGTRYFFZWCJD-GJZGRUSLSA-N	515.053	3.671	0	20	KHAD	
O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514379888	WGNIZRUQQCNLFO-UHFFFAOYSA-N	515.941	3.632	0	20	KHAD	
CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	514381430	FGANISNNTPYXHP-FBCSTPJJSA-N	511.648	3.573	0	20	KHAD	
Cc1cccc(-c2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N(C)C)n2C)c1	514385816	VXPIFRWVSRITQF-UHFFFAOYSA-N	528.704	3.762	0	20	KHAD	
Cn1c(SC[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)nnc1[C@@H]1CCS(=O)(=O)C1	514388144	VPLAHDHFIBLRLX-NQIIRXRSSA-N	501.674	3.575	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N[C@@H]2CCSc3ccc(F)cc32)c(O)nc1=O	514388151	PMKZOBNRIADJJZ-GOSISDBHSA-N	519.643	3.593	0	20	KHAD	
O=C1CSc2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3ccc(Cl)nc3)CC4)ccc2N1	1816970159	MQUYFBPRVKIMNZ-CYBMUJFWSA-N	500.005	3.775	0	20	KHAD	
O=C1CSc2ncc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5ccc(Cl)cc5)sc4C3)cc2N1	1822203168	RYBYDRZUZSUUJL-CQSZACIVSA-N	500.005	3.775	0	20	KHAD	
CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1	514386924	INRXMXDGGUFRNV-FQEVSTJZSA-N	520.076	3.889	0	20	KHAD	
Cc1ncc(/C=C/C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(Cl)nc4n[nH]cc24)CC3)s1	1827119323	XAMAKLYRLZXUBA-TZNOJPMFSA-N	500.009	3.772	0	20	KHAD	
COCCCn1c(SCC(=O)N(C)Cc2cccc(OC)c2OC)nc2cc(Cl)ccc2c1=O	514291833	JGEGZUONNIMUAA-UHFFFAOYSA-N	506.024	3.854	0	20	KHAD	
Cc1sc2nc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n(C3CCCC3)c(=O)c2c1C	514293774	XNHGWBKJKCGELV-UHFFFAOYSA-N	500.646	3.860	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)CC2)cc1	514296102	PBGHWINZHKHWCH-WOJBJXKFSA-N	561.726	3.595	0	20	KHAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514297040	VVELPPBOQBBPMY-UHFFFAOYSA-N	533.695	3.587	0	20	KHAD	
COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]3CC(=O)OC)cc2)c1C	514300440	OTLJGJBFAQMMHQ-RUZDIDTESA-N	549.624	3.915	0	20	KHAD	
CCOC(=O)CCCNC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F	514375436	PZOXGIHZZKRYEQ-UHFFFAOYSA-N	513.586	3.824	0	20	KHAD	
O=C1CSc2cc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cnccc5Cl)sc4C3)ccc2N1	1820266722	QYBXMGHAWRTVIM-GFCCVEGCSA-N	500.005	3.775	0	20	KHAD	
CCCn1c(CCC(=O)Nc2ccc3c(c2)NC(=O)CS3)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514388522	ZRAJCELTOANQHU-UHFFFAOYSA-N	527.672	3.846	0	20	KHAD	
CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1	514298618	CPRFHPRISZDMRC-UHFFFAOYSA-N	507.056	3.527	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3c(=O)n2CCCOC)sc(C(C)=O)c1C	514303769	YZQKXCDMKXGQKA-UHFFFAOYSA-N	517.629	3.913	0	20	KHAD	
C[C@H](c1ccccc1)N1CCN(C(=O)CSc2nnc(CN3CCCC3)n2Cc2ccccc2)CC1	514301992	KONNNQITGPXHCC-HSZRJFAPSA-N	504.704	3.920	0	20	KHAD	
O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21	514387002	CFJYVGWURXBOCS-UHFFFAOYSA-N	531.700	3.629	0	20	KHAD	
CCOc1ccc(-n2c(S[C@@H](C)C(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)nnc2-c2cccc(OC)c2)cc1	514405203	RURICSNINOTALH-GHTZIAJQSA-N	544.699	3.858	0	20	KHAD	
Cc1cn2c(=O)c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3ccccc3Cl)CC4)cnc2s1	1818511576	QRLQHHKVMYADOI-GFCCVEGCSA-N	500.005	3.714	0	20	KHAD	
Cn1cccc1C(=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3c(Cl)cncc3s1)CC2	1826995005	SYAGAELIZQPJAF-LLVKDONJSA-N	500.005	3.853	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)n1-c1ccc(OC)cc1)N(C)C	514298273	YSBLDFKCBCFHLH-XZOQPEGZSA-N	523.659	3.507	0	20	KHAD	
CCOC(=O)c1c(CC(C)C)csc1NC(=O)CSc1nnc([C@@H](CC)N(C)C)n1CCN1CCOCC1	514374951	IRAYWCQEZPUNRK-HXUWFJFHSA-N	566.794	3.791	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCCOC(C)C	514375399	ORXJRZZNJAKLRC-UHFFFAOYSA-N	625.169	3.625	0	20	KHAD	
COc1ccc(Cn2c(SCC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)cc1	514376094	BKJCNXOMAJWOML-JOCHJYFZSA-N	555.722	3.894	0	20	KHAD	
COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)c2)cc1	514380907	YMKGFWJDBKITBW-IXCJQBJRSA-N	598.743	3.899	0	20	KHAD	
O=C(CSc1nc(O)c2c3c(sc2n1)CCCC3)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1	514384347	OQEAJUFYMZCTRO-ZDUSSCGKSA-N	509.700	3.645	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(-c4csc(C)n4)s3)CC2)cc1OC	514390560	OMWPAPQFWWATIX-UHFFFAOYSA-N	535.713	3.957	0	20	KHAD	
O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1	514292312	KDRSRCSEZKAGGE-UHFFFAOYSA-N	507.037	3.970	0	20	KHAD	
O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514301199	WEDSSPFVWCWNOI-UHFFFAOYSA-N	569.709	3.588	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(I)c3)CC2)c(C(=O)OC)c1C	514378707	HYWFXBNQMAGSKO-UHFFFAOYSA-N	620.487	3.582	0	20	KHAD	
COc1ccc([C@H]2[C@H](C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)CCC(=O)N2c2ccc(OC)cc2)cc1	514378743	WOSGSDQZUFNGMJ-VIZCGCQYSA-N	609.701	3.856	0	20	KHAD	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1	514379596	ALUMAXPWZWVKCH-RTBURBONSA-N	564.458	3.762	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514380052	ICTUIKNSQJMRBL-PMACEKPBSA-N	515.632	3.723	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CSc2nnc(-c3ccncc3)n2CC)c1	514386223	IAPXFKKSZZNZDB-UHFFFAOYSA-N	532.692	3.909	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)N2CCNC2=O)nc2scc(-c3ccccc3Cl)c2c1=O	514388578	PQRPLNXLZLLWKA-CYBMUJFWSA-N	507.037	3.847	0	20	KHAD	
CCCCn1c(CCC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514391455	KCNVXRBQTAJYOT-UHFFFAOYSA-N	577.633	3.931	0	20	KHAD	
O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1	514394038	GMVOVNRHFCKIFO-UHFFFAOYSA-N	516.023	3.598	0	20	KHAD	
O=C(c1nccnc1-c1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	622622283	NFWZDBQQYLPRKW-UHFFFAOYSA-N	500.005	3.553	0	20	KHAD	
CCCCn1c(CCC(=O)N[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514296949	TZIRPKOENOMLMS-HSZRJFAPSA-N	633.837	3.698	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)cc1	514388121	PFYWAPAPNWVAJD-UHFFFAOYSA-N	530.672	3.668	0	20	KHAD	
O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	514388792	ZFGZYUBXTPWNFW-UHFFFAOYSA-N	531.000	3.820	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](CCSC)NS(=O)(=O)c2cc(Cl)ccc2Cl)s1	514393203	RFYZFKZKUDFBFP-KRWDZBQOSA-N	588.626	3.802	0	20	KHAD	
O=C(Nc1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c(O)c1)c1ccc(Cl)c(Cl)c1	514402817	RLRWBKOEQZSJTI-UHFFFAOYSA-N	519.429	3.722	0	20	KHAD	
CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OCC(=O)N1CCCCC1	514404851	LFVJEMOGYNGMLA-UHFFFAOYSA-N	529.659	3.904	0	20	KHAD	
CCn1c(CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292589	MCJFJXSYBXCDTC-NRFANRHFSA-N	586.715	3.946	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n2CC)ccc1C	514294351	WXPGIFSAVUUPBS-UHFFFAOYSA-N	620.823	3.819	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)Nc2cc(Cl)ccc2Cl)c1	514295876	GGDPNMZCZGNJEJ-UHFFFAOYSA-N	515.463	3.911	0	20	KHAD	
CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCC(C)C)CCCC3)[C@@H]1CCS(=O)(=O)C1	514376039	AEFPAYCSWYMNHP-MRXNPFEDSA-N	511.735	3.511	0	20	KHAD	
CCn1c(CCC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21	514379091	LKUJBEWPYXGOBF-UHFFFAOYSA-N	511.570	3.963	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(OC(F)F)cc3)c12	514384697	SORZJUJJWNRSJE-KRWDZBQOSA-N	504.559	3.850	0	20	KHAD	
Cc1sc2ncnc(N3CCC(C(=O)N4CCCN(S(=O)(=O)c5ccc(F)cc5)CC4)CC3)c2c1C	514388443	TVQHWZVGUNBGEO-UHFFFAOYSA-N	531.679	3.587	0	20	KHAD	
Cc1ccc(NC(=O)CSc2nnc(NC(=O)CN3C(=O)N[C@]4(C[C@H](C)CC(C)(C)C4)C3=O)s2)c(C)c1	514401671	BTCVSQMDEFZEPQ-BZQUYTCOSA-N	544.703	3.961	0	20	KHAD	
C[C@H](Sc1nc2cc(-c3ccccc3)sc2c(=O)n1CCN1CCOCC1)C(=O)NCC(F)(F)F	514293339	UGLDXXYWYXILDS-HNNXBMFYSA-N	526.606	3.616	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(CCC(C)C)c1c(O)nc(=O)n(Cc3ccccc3)c1N)n2CC	514294710	APIPNIDMCAWBGY-UHFFFAOYSA-N	637.807	3.991	0	20	KHAD	
CCCn1c(CCC(=O)N(C)Cc2ccc(OC(F)F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514297726	WYHUBYRMMHAOTB-UHFFFAOYSA-N	550.628	3.660	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(Cl)cc3Cl)CC2)c(C(=O)OC)c1C	514304764	ZDWCQDVTCKRECY-UHFFFAOYSA-N	577.508	3.696	0	20	KHAD	
Cc1cccc2c(=O)n(CC(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3OCC(F)(F)F)cnc12	514390184	ANKYYWQTAHHDOH-UHFFFAOYSA-N	552.575	3.849	0	20	KHAD	
COCCCN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCCOC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514291539	GFIJBBHQDJWKMK-UHFFFAOYSA-N	657.193	3.920	0	20	KHAD	
CCCn1c(CCC(=O)Nc2ccc(C)c3ncccc23)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514302179	LXWDQIHNXCVIPT-UHFFFAOYSA-N	521.643	3.895	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3)n2[C@H](C)COC)c1	514374136	JNXWPMOJQWEHNF-GOSISDBHSA-N	547.703	3.922	0	20	KHAD	
O=C(Nc1ccc(-n2cncn2)c(Cl)c1)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1	749138198	DMEDIKDZZWLSOV-UHFFFAOYSA-N	500.005	3.982	0	20	KHAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c(O)nc1=O	514295874	LQJYYMQUUGPUGI-WOJBJXKFSA-N	577.748	3.699	0	20	KHAD	
Nc1c(N(CCC2=CCCCC2)C(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c(O)nc(=O)n1Cc1ccccc1	514297113	XHGKBZMWVDCLKK-DEOSSOPVSA-N	597.672	3.892	0	20	KHAD	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3c(C(=O)N4CCOCC4)oc4ccccc34)c2)C1	514302749	RXSWLFHGNDGLAF-OALUTQOASA-N	525.627	3.824	0	20	KHAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(OC)c(Cl)cc3OC)CC2)cc1	514377479	XRUWGCJBAFMJMD-UHFFFAOYSA-N	510.996	3.573	0	20	KHAD	
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)CC2	514386819	DIGVNSHVFLJWTN-BCHFMIIMSA-N	546.736	3.990	0	20	KHAD	
CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(Cc4cccnc4)CC3)cc2)cc1	514393236	UBEXIUJJYVTKAC-UHFFFAOYSA-N	506.672	3.816	0	20	KHAD	
CCCSc1nc(N[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@H]4OC(C)(C)O[C@H]43)c2n1	205255036	WLEOHEIRUFTYCF-WYNJWVBZSA-N	562.643	3.812	0	20	KHAD	
C[C@H](c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1-c1ccc(Cl)cc1)N(C)C	514375148	LXUZYVQXRGWBFM-MRXNPFEDSA-N	599.566	3.948	0	20	KHAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nc(O)c3c4c(sc3n2)CCCC4)CC1	514395396	JIQZFLOPVGQWGQ-UHFFFAOYSA-N	525.700	3.713	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514294425	ZJWSUUNZSWSQFG-QGZVFWFLSA-N	545.687	3.845	0	20	KHAD	
Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	514304771	ZEKMJHANVYJMMN-SNVBAGLBSA-N	516.489	3.561	0	20	KHAD	
CCCCn1c(SC[C@@H](O)COCc2ccc(OC)c(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514401075	LHEIBDUSBXBFSB-IBGZPJMESA-N	537.704	3.774	0	20	KHAD	
CCCCN(C(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1c(O)nc(=O)n(CCC)c1N	514295565	KTBAZIAFQIKVJH-UHFFFAOYSA-N	541.674	3.668	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)nc1	514299497	GXLJDTNSQRHQHY-UHFFFAOYSA-N	521.583	3.887	0	20	KHAD	
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1	514380369	IREGAMAAFJGNNV-RUZDIDTESA-N	561.770	3.515	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)cc1	514381740	QGAPNXHDTNLNSB-IBGZPJMESA-N	532.631	3.754	0	20	KHAD	
O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	514383509	KNGYHGXEZPXXTF-JOCHJYFZSA-N	517.721	3.698	0	20	KHAD	
COc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C	514393793	KTXKXUBQVFKHFB-YLJYHZDGSA-N	514.648	3.504	0	20	KHAD	
Cn1c(=O)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2sccc2Cl)CC3)nc2ccccc21	1818379495	XUSRRBYLXLOWER-NSHDSACASA-N	500.005	3.645	0	20	KHAD	
CC(=O)CC(C)(C)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1	2048532194	NGWZTRKRXPSEPJ-LJQANCHMSA-N	534.034	3.990	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1	514292626	MHJMWQRZWKOFMS-RBBKRZOGSA-N	599.845	3.855	0	20	KHAD	
COc1cc(NC(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(OC)cc1NC(=O)c1ccccc1	514378650	GORWFNBLGSOJBX-WFXMLNOXSA-N	525.627	3.801	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(CN3CCOCC3)cc1)n2CC	514386088	CPBHYTULFXRAPI-UHFFFAOYSA-N	545.731	3.650	0	20	KHAD	
O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	514389350	FBRRCXNRGRRTTH-AWEZNQCLSA-N	503.572	3.715	0	20	KHAD	
COc1cc(CNC(=O)CSc2nnc(N3CCC[C@H](C)C3)n2Cc2ccco2)cc(OC)c1OC	514394708	ZHSXCJILAUUFPJ-KRWDZBQOSA-N	515.636	3.590	0	20	KHAD	
COCCCN(C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1c(O)nc(=O)n(CC(C)C)c1N	514403672	YECXWMIDJWOVBV-UHFFFAOYSA-N	506.028	3.576	0	20	KHAD	
C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(=O)N1CCN(c2ccccc2O)CC1	514404742	KUQKSYVPVBXNIG-HXUWFJFHSA-N	524.666	3.927	0	20	KHAD	
Cc1cn2c(=O)c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3ccc(Cl)cc3)CC4)cnc2s1	1818511492	MMEZVHNKLLRDNF-AWEZNQCLSA-N	500.005	3.714	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(CCC(C)C)c3c(O)nc(=O)n(Cc4ccccc4)c3N)c12	514382664	UUBOPCSOJIJQRI-QFIPXVFZSA-N	619.748	3.562	0	20	KHAD	
COc1cc(C)c(CN2CCN(C(=O)CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)CC2)cc1OC	514383529	GDMGOWJQERLGTD-OAQYLSRUSA-N	557.742	3.948	0	20	KHAD	
O=C(c1cccc2ccccc12)N1CCC[C@H](C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)C1	514392801	CMIZTFFEPFHCLD-QFIPXVFZSA-N	505.640	3.662	0	20	KHAD	
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cc(Cl)cc3Cl)s2)cc(N2CCN(CO)CC2)n1	2048528872	JKIPSRAINGQRAS-UHFFFAOYSA-N	508.435	3.924	0	20	KHAD	
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCCOCCN	2332239628	MVFAWAOZYMMEOQ-CPCREDONSA-N	617.743	3.547	0	20	KHAD	
CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1	514376733	FYXPDHAYYRMFGF-FQEVSTJZSA-N	517.652	3.849	0	20	KHAD	
Cc1ccc(-n2c(S[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)nc3sc4c(c3c2=O)CCCC4)cc1C	514388574	PPBWGZMLRSNLNM-DLBZAZTESA-N	531.725	3.727	0	20	KHAD	
COc1ccccc1CN(Cc1cccs1)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C	514291241	CEECVTQAEDTIEG-UHFFFAOYSA-N	568.721	3.826	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)n1CCN1CCOCC1)N(C)C	514292580	LYRXDUCRYBXGSE-JXFKEZNVSA-N	529.538	3.899	0	20	KHAD	
CCn1c(SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CC[C@H](C)C3	514299254	DYIRACBZOKDKDB-JKSUJKDBSA-N	551.781	3.972	0	20	KHAD	
COc1ccc(-c2nnc(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)n2CC(C)C)cc1	514299654	IWIPEWYUFIPGDV-FQEVSTJZSA-N	506.694	3.660	0	20	KHAD	
Cc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	514301348	YBAZPMJKBCUUAM-UHFFFAOYSA-N	505.445	3.745	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccc(OC)cc2)CC1	514402541	BZSTTXAEGLBBHL-SFHVURJKSA-N	509.628	3.736	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1	514404388	FQRPGEONDGHULH-UHFFFAOYSA-N	579.741	3.700	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cc(C)n([C@@H]4CCS(=O)(=O)C4)c3C)n2[C@@H](C)COC)c1	514374569	WECNELNZYSXYNG-NZQKXSOJSA-N	637.850	3.936	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1	514375035	KGPOKLLPFNJHDP-OAQYLSRUSA-N	514.673	3.851	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(OC)cc1)N(C)C	514375797	VZKZLKHIDSWTRT-QFIPXVFZSA-N	609.174	3.694	0	20	KHAD	
CCC[C@H]1NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(OC(F)F)c(OC)c2)C1=O	514376910	SJNUZPDGGGCDNL-ZBFHGGJFSA-N	506.531	3.756	0	20	KHAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)c(O)nc1=O	514379785	UTEYRXSWDYSIPH-IBGZPJMESA-N	533.695	3.587	0	20	KHAD	
COc1cccc(NCc2nnc(SCC(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)n2C2CCCCC2)c1	514391707	PLGWVCFDPVSLTN-NRFANRHFSA-N	573.745	3.999	0	20	KHAD	
O=C(CCC(=O)c1ccc(I)cc1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1	514291801	HVDJWOLQSBEZHL-UHFFFAOYSA-N	549.409	3.566	0	20	KHAD	
CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)n2CC(C)C)cc1	514374522	SDGRMMSQDZKZIN-UHFFFAOYSA-N	603.767	3.836	0	20	KHAD	
COC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514378056	DRVRDYMQCOQKCQ-HXUWFJFHSA-N	532.968	3.660	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2cc(OC)c(OC)cc2Br)ccc1C	514383185	HOBITIPDZNNFTK-UHFFFAOYSA-N	521.455	3.606	0	20	KHAD	
O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)N(Cc1ccccc1)c1nc2c(s1)CCCC2	514389124	ZQTOVPIEXBAGNN-QGZVFWFLSA-N	518.686	3.708	0	20	KHAD	
Cc1nnsc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(-n4cccn4)cc3Cl)sc2C1	1823183611	RLWZSBLNHFCBQX-LBPRGKRZSA-N	500.009	3.682	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CSCC(=O)Nc2ccc(OC)cc2)c1	514296792	PRZSXPWXLKFPOE-UHFFFAOYSA-N	523.677	3.823	0	20	KHAD	
COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1	514297641	YOBYMQACSIDLHG-QHCPKHFHSA-N	500.617	3.621	0	20	KHAD	
CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N[C@@H](c2ccc([C@H](C)CC)cc2)C(C)C)c(O)nc1=O	514300043	LNGZJYTTXBQPLT-NTKDMRAZSA-N	529.682	3.728	0	20	KHAD	
CCOc1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1	514300580	YZXOFVBEMVSTCG-QFIPXVFZSA-N	569.771	3.607	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2n[nH]c(Cc3cccs3)n2)cc1S(=O)(=O)N(CC)CC	514394556	YNIRGDDYNJMCCL-UHFFFAOYSA-N	509.679	3.617	0	20	KHAD	
COc1cc(Cl)c(C)cc1-n1c(S[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)nc2ccccc2c1=O	514402713	RLCKVMCXVGEXIP-AOMKIAJQSA-N	550.102	3.776	0	20	KHAD	
COc1ccc(-c2nnc(S[C@@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)n2C[C@H]2CCCO2)cc1	514374385	BEHVPLJBORAKSK-WMLDXEAASA-N	549.575	3.786	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCOc1ccc(Cl)cc1Cl	514377601	BGSDYUMXNIJGHH-UHFFFAOYSA-N	503.404	3.821	0	20	KHAD	
CCOC(=O)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)s1	514377958	QFBPYKZEKFGNOP-UHFFFAOYSA-N	628.390	3.758	0	20	KHAD	
CCn1c(SC[C@@H](O)COc2ccc(CCC(C)=O)cc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514379645	BQLDWGNZTPYETQ-QHCPKHFHSA-N	558.726	3.803	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1	514388556	PEECNDBAUWTXEB-NVXWUHKLSA-N	500.086	3.612	0	20	KHAD	
COc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C	514393791	KTXKXUBQVFKHFB-PXNSSMCTSA-N	514.648	3.504	0	20	KHAD	
COc1ccc(-n2c(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2)cc1	514290944	DAGKYFJAYMGPQA-OAQYLSRUSA-N	514.673	3.707	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c1	514291397	DFWZOKCEZOQHSC-UHFFFAOYSA-N	578.757	3.799	0	20	KHAD	
CCc1c(C)sc2nc(S[C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)n(C[C@@H]3CCCO3)c(=O)c12	514294410	YZMFJVZWPRQVFX-ROUUACIJSA-N	544.699	3.566	0	20	KHAD	
CCCCCn1nc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c2ccccc2c1=O	514297026	RAFWLUGDFQRWMX-UHFFFAOYSA-N	519.023	3.513	0	20	KHAD	
CCCNC(=O)CSc1nnc(SCC(=O)Nc2ccc(I)cc2C)s1	514303395	LUJAMMWTSCECDX-UHFFFAOYSA-N	522.459	3.800	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)c1	514377023	WOBKLIXJKNRXPD-UHFFFAOYSA-N	604.795	3.949	0	20	KHAD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514379041	MCINIXNPJGCEOP-UHFFFAOYSA-N	554.591	3.552	0	20	KHAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2[C@@H](C)COC)CC1	514382774	VHYNZKRMIYCWBU-DEOSSOPVSA-N	671.890	3.620	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3snnc3C3CC3)sc2C1)c1c[nH]c2nccc-2c1Cl	1817833797	CKTGJMBQCFMWGZ-SNVBAGLBSA-N	500.009	3.893	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)Cc3ccco3)n2[C@@H](C)COC)c1	514293349	QNXZQTKKOYZFPS-SFHVURJKSA-N	535.692	3.527	0	20	KHAD	
CC(C)NC(=O)CSc1ccccc1C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	514302547	GJIVZODTJAUPNH-UHFFFAOYSA-N	501.674	3.681	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc3n(-c4cc(C)ccc4C)c(=O)c4ccccc4n23)CC1	514375953	XRMRDYAMMZHVOU-LJQANCHMSA-N	533.654	3.933	0	20	KHAD	
CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1	514392138	RHJOLMNFABHCIM-QFIPXVFZSA-N	507.660	3.703	0	20	KHAD	
COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)CSc1nc2ccc(Br)cc2c(=O)n1CCOC	514300202	LPDVSJYQNZDHBB-UHFFFAOYSA-N	591.528	3.628	0	20	KHAD	
Cc1c(NC(=O)[C@@H](C)Sc2nnc(NC(=O)CSCC(=O)N(C)C3CCCCC3)s2)c(=O)n(-c2ccccc2)n1C	514383211	DIWFCNUAAWNSDB-GOSISDBHSA-N	617.823	3.918	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1	514387956	KIVJOHPDAJSOPF-FUHWJXTLSA-N	520.076	3.614	0	20	KHAD	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC[C@H](c4nnc5n4CCCCC5)C3)c2)cc1	514391792	OPBPIHGKDNBPAS-FQEVSTJZSA-N	509.632	3.834	0	20	KHAD	
COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3S(C)(=O)=O)n2C[C@@H]2CCCO2)cc1	514396003	ZBOMSSDHLMZUBL-LPHOPBHVSA-N	516.645	3.656	0	20	KHAD	
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1	514402923	SXEQHHJXWIIWNJ-INIZCTEOSA-N	507.450	3.924	0	20	KHAD	
O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)Nc1ccc(Sc2nncs2)c(Cl)c1	590482292	BJVLQJXCAMQELJ-LJQANCHMSA-N	500.005	3.757	0	20	KHAD	
O=C1CSc2ncc(C(=O)N3CCCC34CN(C(=O)c3cc5c(Cl)cncc5s3)C4)cc2N1	1845669395	VEVJFQJUURTPSH-UHFFFAOYSA-N	500.005	3.520	0	20	KHAD	
Cc1ccc(NC(=O)[C@H](C)Sc2nnc(CN3CCCC3)n2-c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1	514294427	ZKZDYFNOOIBXMW-FQEVSTJZSA-N	605.186	3.965	0	20	KHAD	
CCCCn1c(SCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514300318	OMIPAYPIDWGLFY-UHFFFAOYSA-N	581.786	3.862	0	20	KHAD	
CCOc1ccc(-n2c(S[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)C(C)C)nnc2-c2cccc(OC)c2)cc1	514302208	MPUBHZVVTJDDLE-XXBNENTESA-N	544.699	3.762	0	20	KHAD	
CCCCn1c(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514381690	NYNIGEJYVVUADH-SFHVURJKSA-N	580.754	3.592	0	20	KHAD	
CCCCn1c(SC[C@H](O)COCc2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514400886	DIGWWQPJWSXVFY-GOSISDBHSA-N	525.718	3.589	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1snnc1C1CC1)CC2)c1cn2ccc(Cl)cc2n1	1818588483	DNGMLSHQHAXKKO-LBPRGKRZSA-N	500.009	3.713	0	20	KHAD	
CCCOc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCOCC3)n2)cc1	514379300	PEKPSFIRHCDJOY-UHFFFAOYSA-N	530.672	3.938	0	20	KHAD	
O=S(=O)(c1ccc2c(c1)nc(-c1ccc(Br)cc1)n2C[C@H]1CCCO1)N1CCOCC1	514381341	AMDDYZKNCOSIOD-GOSISDBHSA-N	506.422	3.666	0	20	KHAD	
CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)cc1	514384506	UKTJVKGFOKVKDT-UHFFFAOYSA-N	540.665	3.629	0	20	KHAD	
CCCn1c(CCC(=O)NCc2ccc(C(F)(F)F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514389614	LHLBEWNXDUOSHI-UHFFFAOYSA-N	538.592	3.735	0	20	KHAD	
O=C(CCc1nc(-c2cccs2)no1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1	514390633	RFRCMPHKFWYDDM-UHFFFAOYSA-N	545.687	3.771	0	20	KHAD	
Cn1c(CCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514402441	JABAYKSCFOJEEJ-UHFFFAOYSA-N	579.679	3.538	0	20	KHAD	
CCOc1ccc([C@H](CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c2c[nH]c3ccccc23)cc1OC	514404743	KVXQSQBTALELPL-MMTVBGGISA-N	504.587	3.544	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CSc2nnc(-c3ccncc3)n2CCOC)c1	514405170	RUJUDBDNMIVJGT-UHFFFAOYSA-N	587.772	3.738	0	20	KHAD	
Nc1ncc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(-c4ccccc4Cl)[nH]n2)CC3)s1	1815192693	BRLQMFFSAPIFPP-SNVBAGLBSA-N	500.009	3.765	0	20	KHAD	
CCOC(=O)c1c(C)oc2nc(CSc3nnc(-c4cccc(S(=O)(=O)N5CCCC5)c4)n3CC)nc(N)c12	514297712	RGFMUTATYNBXGR-UHFFFAOYSA-N	571.685	3.645	0	20	KHAD	
CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)sc1C	514299948	LTICUHLVDVHQRT-UHFFFAOYSA-N	557.694	3.847	0	20	KHAD	
CC[C@@H](C)c1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C(C)C)cc1	514388765	YLFICZLRTCUXOQ-CLOONOSVSA-N	535.732	3.762	0	20	KHAD	
Cc1cc(SCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(C)cc1Br	514389941	SGUPCTUWFMXGFG-UHFFFAOYSA-N	507.479	3.572	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2cc(Cl)ccc2Cl)s1	514393204	RFYZFKZKUDFBFP-QGZVFWFLSA-N	588.626	3.802	0	20	KHAD	
O=C(CSc1nnc(N2CCOCC2)n1Cc1ccco1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1	514394101	PCZWXBMFVVVPAX-UHFFFAOYSA-N	556.048	3.743	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)c1	514403348	TUNUERRHKGJTQD-UHFFFAOYSA-N	560.673	3.650	0	20	KHAD	
Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)nc5sccn45)sc3C2)cc1Cl	1821151783	SRRGPACKSGAXKJ-ZDUSSCGKSA-N	500.005	3.714	0	20	KHAD	
COc1ccc(NC(=O)CSCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)cc1	514294926	DOEMGZKIZJSFJL-UHFFFAOYSA-N	521.661	3.579	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nc4ccccc4c(=O)n3[C@H](C)COC)[nH]c2c1	514301927	IAHTVAZAQFWDQM-MRXNPFEDSA-N	515.661	3.803	0	20	KHAD	
COc1ccc(CNC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)cc1OC	514374348	AOYIFAWFYXBCGS-QGZVFWFLSA-N	529.684	3.942	0	20	KHAD	
COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)CCC(=O)N2c2ccc(OC)cc2)cc1	514296943	TVVMWEMMYYQKQP-PDDLMNHVSA-N	609.701	3.856	0	20	KHAD	
CCCCN(C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CCCC)c1c(O)nc(=O)n(CCC)c1N	514300214	VCQJOMARJQVNNO-UHFFFAOYSA-N	603.790	3.887	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(NC(C)=O)ccc1OC)n2CC	514379019	LGJFTDTVDHLNBL-UHFFFAOYSA-N	515.636	3.625	0	20	KHAD	
CCOCCCn1c(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nc2cc(Cl)ccc2c1=O	514381868	WENLXUHBTJQRQS-INIZCTEOSA-N	553.106	3.846	0	20	KHAD	
COCCCn1c(SCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)nnc1-c1ccc(OC)c(OC)c1	514385738	SSTKRBFDMZKNRB-FQEVSTJZSA-N	562.714	3.752	0	20	KHAD	
O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1	514393453	BLAFHTQZIWTPNR-UHFFFAOYSA-N	543.715	3.640	0	20	KHAD	
O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1	514401518	XZWOERIFYFNRQE-HSZRJFAPSA-N	518.427	3.630	0	20	KHAD	
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@H]3CCCO3)CC2)c1	514377295	QHEAJGHBSGYQMU-RUZDIDTESA-N	555.697	3.553	0	20	KHAD	
Nc1ncc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(-n4cccn4)cc2Cl)CC3)s1	1815195894	BIQNEHNZRHNJKW-LLVKDONJSA-N	500.009	3.561	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2C)c1	514376110	BUEFFHIVFQPWPC-WKRCXCSHSA-N	505.710	3.546	0	20	KHAD	
COc1ccc(Cn2nccc2NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(OC)c1	514390246	CRPXSLYNSXNTRZ-UHFFFAOYSA-N	512.632	3.605	0	20	KHAD	
CCc1ccc(OCc2nnc(S[C@H](C)C(=O)N(CC)[C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2)cc1	514391039	DYHDDVXYABPOQV-OFNKIYASSA-N	542.727	3.984	0	20	KHAD	
CCCCn1c(CCC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514393575	GIJWITOLJLNKAU-MUUNZHRXSA-N	582.702	3.568	0	20	KHAD	
CCCCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1-c1ccc(OC)cc1	514292818	MMXRCJHOEKIAMZ-LJQANCHMSA-N	559.714	3.894	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1c(O)nc(=O)n(CCCC)c1N	514379372	QXZIDIAWZLTLRK-OAQYLSRUSA-N	555.676	3.770	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)n2CC)cc1	514383674	ILADBSKYJBVTOT-UHFFFAOYSA-N	516.693	3.806	0	20	KHAD	
CC[C@H](C)c1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C(C)C)cc1	514388770	YLFICZLRTCUXOQ-UQBPGWFLSA-N	535.732	3.762	0	20	KHAD	
CCOc1cc(-c2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)o2)cc(OCC)c1OCC	514395119	CRWSGBUTIARYSX-CVEARBPZSA-N	564.686	3.938	0	20	KHAD	
CN(C)[C@@H](CNC(=O)CSc1nnc(SCC(=O)NC[C@@H](c2ccccc2)N(C)C)s1)c1ccccc1	514404313	BMOGLNFPWCNWSU-VXKWHMMOSA-N	558.799	3.561	0	20	KHAD	
Oc1nc(CSc2nnc(O)n2C[C@@H]2CCCO2)nc2c(Br)cc(Br)cc12	514405245	SXFXDJZERVMJSE-VIFPVBQESA-N	517.203	3.629	0	20	KHAD	
O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1	514298264	YLLRIMXYCJBICJ-UHFFFAOYSA-N	539.985	3.608	0	20	KHAD	
COCCn1c(SCc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)nc2sc3c(c2c1=O)CCCC3	514374046	GHHJFXQZVHBJAU-UHFFFAOYSA-N	532.669	3.669	0	20	KHAD	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CS(=O)(=O)Cc3ccc(Cl)s3)cc2)C1	514381436	FJWQWGYNTMYUOY-GJZGRUSLSA-N	505.083	3.622	0	20	KHAD	
Cc1nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)n(CC(C)C)c1C	514386310	KDAVBJHMKQIDPC-UHFFFAOYSA-N	524.709	3.695	0	20	KHAD	
COCCn1c(S[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)nc2scc(-c3ccccc3Cl)c2c1=O	514395674	QBVGYFGLTYSNIJ-HUUCEWRRSA-N	535.091	3.629	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CCCOC)c1	514293836	WUIXDHQMEJVXNM-UHFFFAOYSA-N	583.132	3.856	0	20	KHAD	
Cc1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)CN3C(=O)N[C@]4(C[C@H](C)CC(C)(C)C4)C3=O)s2)c(=O)n(-c2ccccc2)n1C	514300295	NMXJGORERSQQHQ-POQQWNNTSA-N	640.792	3.531	0	20	KHAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1c(O)nc(=O)n(CCCC)c1N	514379350	QWCGNNVIGUDYRA-UHFFFAOYSA-N	553.685	3.525	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nnnn3-c3ccccc3)n2CC(C)C)c1	514384233	RKOWDOZGVQZYCX-UHFFFAOYSA-N	526.692	3.900	0	20	KHAD	
CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(CN2CCOCC2)cc1	514384931	XADVGVQBWFSCPC-FQEVSTJZSA-N	532.515	3.864	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)c1	514385592	NMMBWHNQQZMNQR-UHFFFAOYSA-N	576.517	3.813	0	20	KHAD	
COc1cc(OC)cc([C@H](NC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)c2nccn2C)c1	514389837	OOTSMZWTLODEPL-QHCPKHFHSA-N	582.601	3.642	0	20	KHAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)N(C)CC(=O)Nc3c(C)cccc3C)nc(=O)c2c1C	514377028	KCWYDOHQQYYMOL-UHFFFAOYSA-N	530.672	3.807	0	20	KHAD	
COc1ccc([C@@H](CNC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)N2CCOCC2)cc1OC	514394604	PDXGJAUXDDKGPX-IEBWSBKVSA-N	546.715	3.842	0	20	KHAD	
CCn1c(CCC(=O)N(Cc2ccco2)Cc2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514402488	ABDUBGUIWOYIMX-UHFFFAOYSA-N	542.683	3.893	0	20	KHAD	
COc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1	514297640	YOBYMQACSIDLHG-HSZRJFAPSA-N	500.617	3.621	0	20	KHAD	
CCn1c(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CC[C@H](C)C3	514299252	DYIRACBZOKDKDB-HOTGVXAUSA-N	551.781	3.972	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3cc(OCC)c(OCC)c(OCC)c3)o2)CC1	514375882	YQOXQFBWKQIXAW-UHFFFAOYSA-N	507.609	3.827	0	20	KHAD	
CCN1CCN(c2ccc(NC(=O)c3ccc(OC)c(S(=O)(=O)NC4CCCC4)c3)c(C)c2)CC1	514378783	XFXVVMRMXYQOGC-UHFFFAOYSA-N	500.665	3.619	0	20	KHAD	
Cc1cccc(NC(=O)CN2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)c1C	514382795	VWHSWYRBGSKTPX-UHFFFAOYSA-N	566.646	3.506	0	20	KHAD	
CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	514386879	HJZAPXHDAVXODW-SFHVURJKSA-N	537.432	3.662	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)nnc1-c1ccc(OC)c(OC)c1	514395893	WPRHRVFYWAOISI-AZUAARDMSA-N	542.658	3.778	0	20	KHAD	
CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1	113079835	DALMAZHDNFCDRP-FQLXRVMXSA-N	601.704	3.614	0	20	KHAD	
CCCCn1c(SCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)nc2cc(S(=O)(=O)N(C)C)ccc21	514292005	KWVDOXHKOPKKQN-LJQANCHMSA-N	566.771	3.840	0	20	KHAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O	514292887	NLQILTBBOKFPRA-UHFFFAOYSA-N	503.905	3.793	0	20	KHAD	
CCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1	514386643	WJVKHNIGZRXFLZ-UHFFFAOYSA-N	533.123	3.835	0	20	KHAD	
COc1ccc(-n2c(SCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2)cc1	514404824	OBDQZOJBYQUBED-JOCHJYFZSA-N	526.684	3.993	0	20	KHAD	
CCOC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc(OC)c(F)c2)[n+]2cccc(CO)c2)N=C1C	726574475	BSBRCRBRNPLDRC-UHFFFAOYSA-O	500.572	3.906	0	20	KHAD	
Cc1nc2sccn2c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(=O)c1ccc(Cl)cc1)CC2	1819351439	HRVOGHGCPYWFNM-CQSZACIVSA-N	500.005	3.923	0	20	KHAD	
C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1Oc1cccc(Br)c1)CS2	514297208	YAMIZHUKSHZSMA-GBXCKJPGSA-N	596.525	3.655	0	20	KHAD	
CSCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)c1nnc2ccccn12	514298639	DHBKRXDRNVHKAE-LJQANCHMSA-N	526.059	3.533	0	20	KHAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3I)c12	514299678	NKFDMCGNDJELMX-CQSZACIVSA-N	536.395	3.834	0	20	KHAD	
CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CC[C@H](C)C3)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514375597	SPNUSOWBIVLOHT-ICSRJNTNSA-N	636.800	3.800	0	20	KHAD	
CCCCn1c(S[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376753	QQERVDSQHPIQJS-OAQYLSRUSA-N	587.768	3.710	0	20	KHAD	
O=C(NCCc1ccco1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	514379280	OOEHVLLSFSUZHI-UHFFFAOYSA-N	520.243	3.564	0	20	KHAD	
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	514381592	KJVOXQJNWDPUQD-UHFFFAOYSA-N	539.654	3.920	0	20	KHAD	
CSCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)c1nnc2ccccn12	514382539	ORAOUWSWLRHHID-OAHLLOKOSA-N	558.549	3.565	0	20	KHAD	
COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2C2CCCCC2)cc1OC	514388278	MYOWQZLAOHNDQU-QFBILLFUSA-N	522.693	3.594	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)o2)c1	514395820	USOVRZPQSFDIHV-IRXDYDNUSA-N	546.671	3.896	0	20	KHAD	
COc1cc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1OC(F)F	514405229	SMJXRWMAJVCQTI-JZXOWHBKSA-N	515.538	3.987	0	20	KHAD	
COCCN(C(=O)CCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514296533	MXWCWUDYKGDBAN-UHFFFAOYSA-N	567.487	3.623	0	20	KHAD	
CCC(CC)n1c(COc2ccccc2Cl)nnc1SCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1	514374886	HDFRGIVWSSITJU-QGZVFWFLSA-N	515.101	3.999	0	20	KHAD	
CCOc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1	514379413	UGCRQPWDUQVALE-UHFFFAOYSA-N	525.593	3.854	0	20	KHAD	
CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	514390206	BGAINECRNOECPO-XMMPIXPASA-N	569.705	3.846	0	20	KHAD	
COc1ccc([C@H](CNC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)N2CCCCC2)cc1	514391613	NKSUCVIITIVTMP-DEOSSOPVSA-N	508.619	3.546	0	20	KHAD	
CC(C)COC[C@H](O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@H](C)c1ccccc1	514295001	GZWGOSDGRYPPJT-QPPBQGQZSA-N	560.742	3.701	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)N(CC(=O)Nc1cccc(C)c1C)C[C@H]1CCCO1)c1c(O)nc(=O)n(CCCC)c1N	514377345	RTCWGSKZCNHBPM-XMMPIXPASA-N	612.772	3.898	0	20	KHAD	
CC(C)(CNC(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)N1CCOCC1	514385441	HWXVQNCWYISZIL-UHFFFAOYSA-N	500.068	3.966	0	20	KHAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)CC1	514385486	IUVUGRYNFWFXFF-OAQYLSRUSA-N	554.742	3.677	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C)n2CC(C)C	514387125	COKLYQOJQIJTEG-JOCHJYFZSA-N	540.068	3.980	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CSc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1)n2C	514403846	RRXUYLFDLKMKED-AWEZNQCLSA-N	517.059	3.785	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1	514403927	UFDBIEFCYCEZDK-UHFFFAOYSA-N	523.677	3.543	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccc(Br)cc1C	514295220	AGGINLFURAHRMB-UHFFFAOYSA-N	515.451	3.518	0	20	KHAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)c12	514383626	HSDPMGGJSZMRIT-LJQANCHMSA-N	521.643	3.855	0	20	KHAD	
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(N3CCCCC3)n2-c2ccc(C)cc2)n1	514386224	ICIFCNRZFYTQNA-UHFFFAOYSA-N	500.650	3.859	0	20	KHAD	
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1	514387106	BUUVXNWZOLOXRT-XMMPIXPASA-N	539.620	3.604	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1	514391734	NLRIBRZZWOHTNP-UHFFFAOYSA-N	515.554	3.747	0	20	KHAD	
CCCn1c(CSc2nnc(C)n2-c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514297690	QYFMECPVKSUPOK-UHFFFAOYSA-N	512.661	3.649	0	20	KHAD	
Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2CC(C)C)cc1S(=O)(=O)N1CCOCC1	514374791	HANKDDAXSDNTTO-GOSISDBHSA-N	533.676	3.643	0	20	KHAD	
CCCCn1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)nnc1[C@H](CC)N(C)C	514375998	YZSYAMFEIYXCEE-PXNSSMCTSA-N	510.730	3.897	0	20	KHAD	
COC(=O)c1ccc(OC[C@@H](O)CSc2nnc(-c3ccc(OC)cc3)n2CC(C)C)c(OC)c1	514376598	ONJFWGBAXPZBNC-LJQANCHMSA-N	501.605	3.937	0	20	KHAD	
CCCn1c(CCC(=O)N[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)nc2cc(S(N)(=O)=O)ccc21	514389406	GALMRVRRDQYJRF-OAQYLSRUSA-N	514.648	3.534	0	20	KHAD	
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CCN(Cc3ccc(Br)s3)CC2)c1	514405391	VFKUJXXILRVWQM-UHFFFAOYSA-N	549.944	3.561	0	20	KHAD	
Nc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(-c5ccc(Cl)cc5)[nH]n4)sc3C2)s1	1821554899	JBYFSNVUODWTFQ-LBPRGKRZSA-N	500.009	3.765	0	20	KHAD	
CCCCN(C(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1C)[C@@H]1CCS(=O)(=O)C1	514293036	RBUXNQYVAMYNDT-QGZVFWFLSA-N	505.687	3.570	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4cc5c(cc4s3)OCCCO5)CC2)cc1OC	514300346	PHNDRXGWWCZCSF-UHFFFAOYSA-N	533.628	3.514	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cc(C)n([C@@H]4CCS(=O)(=O)C4)c3C)n2[C@H](C)COC)c1	514374568	WECNELNZYSXYNG-NFBKMPQASA-N	637.850	3.936	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1	514387787	LPLXZAARCRCSMY-UHFFFAOYSA-N	549.715	3.540	0	20	KHAD	
CC[C@H](C)c1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C(C)C)cc1	514388767	YLFICZLRTCUXOQ-DFBJGRDBSA-N	535.732	3.762	0	20	KHAD	
CC(C)(C)c1cc(NC(=O)CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)n(-c2ccccc2)n1	514393561	FKFJFLRSCSBDBR-FQEVSTJZSA-N	525.679	3.508	0	20	KHAD	
Cc1cccc(NC(=O)CN2CCN(CC(=O)N[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)CC2)c1C	514401143	NMFSKJNFVKEBDZ-GDLZYMKVSA-N	508.663	3.534	0	20	KHAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1	514296216	KUTYXRDOTYRSQD-UHFFFAOYSA-N	542.658	3.509	0	20	KHAD	
CCOc1ccc(-n2c(S[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)C(C)C)nnc2-c2cccc(OC)c2)cc1	514302205	MPUBHZVVTJDDLE-AUSIDOKSSA-N	544.699	3.762	0	20	KHAD	
CCOc1cc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)ccc1OCC(=O)N1CCCCC1	514381554	JBMFEQVONUYMCR-UHFFFAOYSA-N	556.685	3.534	0	20	KHAD	
O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)NC[C@H](c1ccccc1Cl)N1CCCC1	514388090	UOOOJKSUYVHSBH-XMMPIXPASA-N	541.121	3.862	0	20	KHAD	
CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)OC)cc1	514291491	FELNNUAIUDPYOX-JOCHJYFZSA-N	558.653	3.631	0	20	KHAD	
COc1ccc([C@@H](CC(=O)N2CCN(c3cccc(C)c3C)CC2)NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1OC	514296717	NUIKOIPXNASDPR-MUUNZHRXSA-N	608.761	3.715	0	20	KHAD	
CCn1c(CSc2ncnc3sc(C)c(C)c23)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514375907	ZVLZKOHKVREYKA-UHFFFAOYSA-N	503.675	3.991	0	20	KHAD	
O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl	514384520	UUPJZKSNWHJSLW-UHFFFAOYSA-N	573.162	3.815	0	20	KHAD	
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514388386	XVJKASOAKKRTQD-BJKOFHAPSA-N	514.047	3.930	0	20	KHAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	514388481	YZXGXBDGTOIEDI-UHFFFAOYSA-N	567.039	3.595	0	20	KHAD	
CCCCn1c(N)c(N(C(=O)CSc2n[nH]c(CCC3CCCC3)n2)C2CCCC2)c(O)nc1=O	514394095	OZLZUUBFXSLPNV-UHFFFAOYSA-N	503.673	3.640	0	20	KHAD	
CCc1cc[n+](/C(C(=S)Nc2ccc3c(c2)OC(F)(F)O3)=C(/O)c2ccc(O)c(C(N)=O)c2)cc1	920396404	JUZLAZXWKPTXJE-UHFFFAOYSA-O	500.503	3.986	0	20	KHAD	
Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1Sc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3	514298806	GQPLANRJWBOLHD-CQSZACIVSA-N	512.686	3.889	0	20	KHAD	
CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1	514379479	VNTZQYKJMKKUPY-UHFFFAOYSA-N	645.756	3.944	0	20	KHAD	
Cn1ccnc1C(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1	514385023	XIHKCOBLEBWEFM-UHFFFAOYSA-N	506.628	3.569	0	20	KHAD	
O=C(Nc1ccccc1)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1	514385671	QAOCKDCWGUINSL-UHFFFAOYSA-N	508.015	3.757	0	20	KHAD	
CCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1S(=O)(=O)N(CC)CC	514390692	SVCWJQSKJJOPOL-LJQANCHMSA-N	505.612	3.746	0	20	KHAD	
CCOc1ccc([C@@H](CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c2c[nH]c3ccccc23)cc1OC	514404745	KVXQSQBTALELPL-PIIWDFAUSA-N	504.587	3.544	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C	514291252	CGJDDGPIFYRYQY-NTKDMRAZSA-N	514.692	3.865	0	20	KHAD	
Cc1cc(C)c(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)n2)c(C)c1	514299701	OIXMKXSWZCWIOM-UHFFFAOYSA-N	556.710	3.845	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4c3CCCC4)CC2)c(C(=O)OC)c1C	514403314	YEZWGZQBOMHLPK-UHFFFAOYSA-N	534.656	3.548	0	20	KHAD	
Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(-c3ccc(Cl)cc3)[nH]n1)CC2	1817604725	QDNVJSVBUUOIRA-CYBMUJFWSA-N	500.009	3.886	0	20	KHAD	
COc1cc(C)c(CN(C)C(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC	514298862	AELMZNBMCMCWHW-IBGZPJMESA-N	526.659	3.529	0	20	KHAD	
COc1ccc(Cn2c(SCC(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)cc1	514376095	BKJCNXOMAJWOML-QFIPXVFZSA-N	555.722	3.894	0	20	KHAD	
COCCCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)nc2cc(C(=O)OC)ccc2c1=O	514291014	CMOMELNNNPCSNB-UHFFFAOYSA-N	539.610	3.992	0	20	KHAD	
CCCn1c(CCC(=O)NCC(=O)Nc2ccc(Br)cc2C)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514298145	YXKWSBNPRGNYPS-UHFFFAOYSA-N	590.544	3.989	0	20	KHAD	
CCOc1cc2c(cc1CNC(=O)CCc1nc3cc(S(=O)(=O)N4CCCCC4)ccc3n1C)O[C@@H](C)C2	514300056	LZABWXQSAXBZKW-IBGZPJMESA-N	540.686	3.719	0	20	KHAD	
C[C@H]1CCCN(c2nnc(SCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)n2Cc2ccco2)C1	514302493	FURWOFPUJWWFTG-HNNXBMFYSA-N	524.068	3.943	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C2CCCCC2)c(O)nc1=O	514376436	MHIDDLTYPSQLFO-UHFFFAOYSA-N	591.134	3.971	0	20	KHAD	
Cn1c(CCC(=O)Nc2ccccc2C(=O)N2CCCCC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514377210	NDPJNABIVMMSIK-UHFFFAOYSA-N	537.686	3.945	0	20	KHAD	
COc1ccc(NC(=O)CSc2ccccc2C(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1OC	514383137	CPGFNLABODNSGT-FQEVSTJZSA-N	501.649	3.521	0	20	KHAD	
C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	514383553	GLRMEINDPBMOIA-OAHLLOKOSA-N	500.468	3.890	0	20	KHAD	
COc1ccc(C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	514388096	ORZMAYNWPOUGGM-RTBURBONSA-N	542.658	3.876	0	20	KHAD	
CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n1CCN1CCOCC1)N(C)C	514291890	HYTAVCYFIXGCQS-NQIIRXRSSA-N	529.736	3.866	0	20	KHAD	
CCOc1ccc(-n2c(COc3ccc(Cl)cc3C)nnc2S[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1	514387938	JVJCKKBHDJBLFH-HKUYNNGSSA-N	565.117	3.991	0	20	KHAD	
COc1ccc([C@@H](NC(=O)CN2CCN(CC(=O)N[C@H](c3ccc(OC)cc3)C(C)C)CC2)C(C)C)cc1	514391116	GGOVMZRYDXOIQJ-KYJUHHDHSA-N	524.706	3.648	0	20	KHAD	
CCCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1	514395829	VAKPHGLXIYHFSP-AEFFLSMTSA-N	551.637	3.893	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCC[C@H](C)C3)n2[C@@H](C)COC)c1	514292337	KHQXBZPXWAFWPP-OALUTQOASA-N	523.725	3.534	0	20	KHAD	
Cc1c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)oc2ccc(Br)cc12	514296097	JPTJTDYEPVDQAM-UHFFFAOYSA-N	564.458	3.614	0	20	KHAD	
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)N2CCOCC2)cc1	514377365	SGXUAUIAKAUFGZ-DEOSSOPVSA-N	590.064	3.958	0	20	KHAD	
CCOCCCn1c(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc2scc(-c3ccccc3Cl)c2c1=O	514388564	PGUSKRDSZCACAT-JKSUJKDBSA-N	570.158	3.989	0	20	KHAD	
COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1	514404773	MFFJHQHLTIFBPD-UHFFFAOYSA-N	656.783	3.767	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc(SC[C@H]2CCCCO2)n1-c1ccccc1	514291071	CRNGYPDODSRQFH-OAQYLSRUSA-N	514.673	3.925	0	20	KHAD	
CCCCCn1c(=O)c2ccccc2n2c(SCC(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)nnc12	514300814	RBBVAULWTNBWSD-SFHVURJKSA-N	559.739	3.604	0	20	KHAD	
CCCCn1c(CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514295574	IPAMCVLPDPPGBG-VWLOTQADSA-N	582.723	3.925	0	20	KHAD	
O=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514299017	CIOLLZYFHYBHFM-PMACEKPBSA-N	585.729	3.994	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)ccc1Cl	514379193	OVYROGTYSDDZBJ-UHFFFAOYSA-N	570.137	3.562	0	20	KHAD	
CCN(C(=O)CNc1ccccc1CN(C)C1CCCCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514380214	JMGOLRKRYBRBOE-UHFFFAOYSA-N	518.662	3.809	0	20	KHAD	
C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	514384470	SJYALMCUDRYRTA-QGZVFWFLSA-N	512.661	3.969	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2nnc(S[C@@H](C)C(=O)Nc3ccc(C)cc3Br)n2c1	514391502	LUPWMNNKIRNXOE-AWEZNQCLSA-N	526.482	3.950	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCOCC4)c4ccncc34)CC2)cc1C	514392869	FWGUJGPYTRFNME-UHFFFAOYSA-N	508.644	3.728	0	20	KHAD	
C[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1nc2ccccc2n1C(F)F	514403677	YFXKXQIRINJCOU-LBPRGKRZSA-N	508.455	3.982	0	20	KHAD	
COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1	514292775	MSGORAUKNAJPBN-KCOOYEKVSA-N	545.727	3.897	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccccc3C(=O)OC)n2[C@@H](C)COC)c1	514293093	PRKQHGSNRLJPIR-SFHVURJKSA-N	575.713	3.700	0	20	KHAD	
CCCCn1c(CCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514300140	UDFCWCQHWVFMOA-UHFFFAOYSA-N	617.817	3.989	0	20	KHAD	
Cc1ccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C2CCCCCC2)cc1S(N)(=O)=O	514300324	OTXAWORROHUEHR-UHFFFAOYSA-N	648.833	3.548	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2cc(C(=O)OC)ccc2c1=O	514375834	XISSZKUWYSSJJL-IBGZPJMESA-N	602.735	3.514	0	20	KHAD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514387667	HZLDYZLVARMOEP-UHFFFAOYSA-N	501.480	3.928	0	20	KHAD	
CCc1cc2c(=O)n(CCc3ccccc3)c(S[C@@H](C)C(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)nc2s1	514389032	XQMUWRHTDACTQD-PKOBYXMFSA-N	533.741	3.779	0	20	KHAD	
O=C(Cn1ncc(Br)c(Br)c1=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl	514393953	CQVXJJWCMISDCP-UHFFFAOYSA-N	582.702	3.625	0	20	KHAD	
O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1	13619813	GHDXEFBCFHEDFJ-KAYWLYCHSA-N	508.615	3.791	0	20	KHAD	
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1	514296247	IVULZFRPXYSZIW-QFIPXVFZSA-N	574.552	3.524	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC1)n2CC	514380211	ZXCKCGWKKRIOJM-UHFFFAOYSA-N	630.620	3.859	0	20	KHAD	
O=C(Nc1ncc(Cc2ccccc2)s1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514403848	RTNAAYLIVBYVGM-UHFFFAOYSA-N	513.641	3.935	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514405537	XHGXIHGLIKFJKC-VQTJNVASSA-N	551.090	3.527	0	20	KHAD	
COc1ccc(-c2nnc(SCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)n2CC(C)C)cc1	514299655	IWIPEWYUFIPGDV-HXUWFJFHSA-N	506.694	3.660	0	20	KHAD	
O=C(CSc1nc2ccccc2n1CCc1ccccc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514383726	JEXFRLNQUZMCMV-FGZHOGPDSA-N	513.685	3.566	0	20	KHAD	
CC(C)[C@@H](Sc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)C(=O)N[C@H]1CCS(=O)(=O)C1	514404229	CRKBEDAFRMWMOJ-MGPUTAFESA-N	523.746	3.872	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@H]2CCCO2)ccc1OC	514292692	OSAMPEWIHYGEIC-JOCHJYFZSA-N	531.675	3.602	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(COc2ccccc2F)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1	514293374	UHCZFPHUKNHDBW-FQEVSTJZSA-N	532.663	3.893	0	20	KHAD	
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O	514298081	XTFQFIWOPJQPQM-OWJWWREXSA-N	535.022	3.589	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3	514377592	AUMNYOPEEZWLJP-UHFFFAOYSA-N	510.616	3.558	0	20	KHAD	
C[C@@H](Sc1nncn1CCc1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	514391282	FXWMRVILLQCYTK-QGZVFWFLSA-N	505.691	3.876	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1scnc1C1CC1)CC2)c1cc(Cl)c2nncn2c1	1819677524	QGDAABWQLJXAKM-GFCCVEGCSA-N	500.009	3.713	0	20	KHAD	
Nc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(-n5cccn5)cc4Cl)sc3C2)s1	1823183008	KLUNXDDLCHRIAB-LLVKDONJSA-N	500.009	3.561	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)n1CCN1CCOCC1)N(C)C	514293298	PXXXYIBFHMDIGP-NOZRDPDXSA-N	582.771	3.856	0	20	KHAD	
CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514294403	YVHIHVUXTBHLNJ-UHFFFAOYSA-N	515.661	3.797	0	20	KHAD	
CCCCn1c(=O)n(CC(=O)Nc2c(Br)cc(C)cc2Br)c(=O)c2c1nc(CO)n2CCC	514376244	DWUKKEBQRKHSFY-UHFFFAOYSA-N	585.297	3.534	0	20	KHAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCc3ccccc3OC(F)(F)F)c12	514390777	BXVAVRRSVUZFOM-MRXNPFEDSA-N	508.522	3.805	0	20	KHAD	
CCOC(=O)Cc1csc(NC(=O)[C@H](CCSC)NC(=O)c2ccccc2Br)n1	514392534	XNSVDXUMYNKPGL-HNNXBMFYSA-N	500.440	3.501	0	20	KHAD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1CC(C)C	514395371	IZUJPMLICUQRRG-OAHLLOKOSA-N	507.638	3.572	0	20	KHAD	
COc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1	514295173	CBDMFJFMQJNKHU-UHFFFAOYSA-N	512.053	3.834	0	20	KHAD	
CCOC(=O)c1c(CSc2nnc([C@H](CC)N(C)C)n2CCN2CCOCC2)nc2ccccc2c1C	514375777	VRMWVVAFMCWQBN-QHCPKHFHSA-N	526.707	3.949	0	20	KHAD	
CC[C@H](C)[C@@H](NC(=O)CN(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C)C(=O)OC	514386940	ACTLINKDUKAWEL-XDBZFTIUSA-N	524.662	3.503	0	20	KHAD	
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)CC2	514388159	VQRJYOWRNIPHQT-IBVKSMDESA-N	518.701	3.671	0	20	KHAD	
COc1cc(NC(=O)CSc2nnc(N3CCC[C@H](C)C3)n2Cc2ccco2)cc(OC)c1OC	514392958	IWHYBNRSYABHQR-INIZCTEOSA-N	501.609	3.912	0	20	KHAD	
COc1cc(OC)cc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c2nccn2C)c1	514394439	NNEAECSEFIVESU-SANMLTNESA-N	540.686	3.867	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1	514402347	ONWINNUHLLKZDE-OAQYLSRUSA-N	528.723	3.655	0	20	KHAD	
CC(C)(C)OC(=O)[C@]1(Cn2cccn2)C[C@@H](C(=O)O)[C@@H](c2cncs2)N1C(=O)OCc1ccccc1	407987115	ZQKYAXPZIZMLGM-KNOQFWTLSA-N	512.588	3.905	0	20	KHAD	
COCCn1c(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)nc2cc(Cl)ccc21	514381701	OOGQUPDICXBHGB-GOSISDBHSA-N	500.086	3.777	0	20	KHAD	
CCOc1cc(Br)c(CC(=O)N(CCCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1OCC	514382764	DKPXEQWVVRWCOV-UHFFFAOYSA-N	589.487	3.752	0	20	KHAD	
C[C@@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	514393445	BDGSOSOFKIGGBF-CQSZACIVSA-N	513.089	3.626	0	20	KHAD	
CCCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1	514395018	ARXLTHMDHYFRCT-PZJWPPBQSA-N	513.685	3.660	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4cc(Cl)ccc34)sc2C1)c1nnsc1C1CC1	1819275364	NIIVQRLPOIHCAZ-LLVKDONJSA-N	500.009	3.941	0	20	KHAD	
CCOc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC1	514295051	FZMOZNZVGQRJNZ-UHFFFAOYSA-N	517.673	3.837	0	20	KHAD	
CCCCN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)[C@@H]1c1ccccc1OC	514302980	HVNNAGCIKOVAHX-FIPFOOKPSA-N	537.657	3.777	0	20	KHAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)cc2)C[C@@H](C)O1	514377500	YMTPUNNTFKUKNQ-IAGOWNOFSA-N	531.034	3.993	0	20	KHAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	514379029	LRNWAXYQKZNVDZ-UHFFFAOYSA-N	685.844	3.925	0	20	KHAD	
CCCn1c(CSCC(=O)N[C@@H](C)c2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514388480	YYRDJVJNKPIXLY-SFHVURJKSA-N	534.679	3.717	0	20	KHAD	
CCC[C@H](CNC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)n1C)c1ccc(Cl)cc1Cl	514391879	RYACYQRCZYMZPP-ZIAGYGMSSA-N	505.493	3.816	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514292153	MAYRNKRYVGYGRN-UHFFFAOYSA-N	661.666	3.561	0	20	KHAD	
COCCn1c(SCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)nc2ccc(Br)cc2c1=O	514293335	SZWAGGQWNRYDMG-QGZVFWFLSA-N	568.515	3.558	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)Nc1ccc(CN2CCOCC2)cc1	514300258	MMCDDQHEPAHLPQ-QHCPKHFHSA-N	511.623	3.826	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1	514384377	OCMCCDLMYAGKOC-HXUWFJFHSA-N	502.662	3.803	0	20	KHAD	
COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Sc2nnc(N3CCOCC3)n2-c2cccc(C)c2)c1	514405729	YRUVRUADHTXBMZ-RTBURBONSA-N	511.648	3.788	0	20	KHAD	
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1	514291652	IACDPCJHOQHADL-AUSIDOKSSA-N	590.772	3.578	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514299270	JGVRQRQHNFYNTF-UHFFFAOYSA-N	524.651	3.618	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)Nc2cc(C)c(Cl)cc2OC)c1	514379918	FCIZZWPCOQVMJN-UHFFFAOYSA-N	525.071	3.575	0	20	KHAD	
CCCn1c(CS[C@@H](C)C(=O)Nc2cccc(F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514387554	JNMZKIBLBLMWRK-KRWDZBQOSA-N	520.652	3.867	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N3CCN([C@@H](C(=O)NCc4ccccc4)c4ccccc4)CC3)c12	514390308	FPOGWHXHLUNWST-JTSJOTPCSA-N	626.783	3.792	0	20	KHAD	
CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	514391073	FLOLGPICXSIEGP-LJQANCHMSA-N	507.008	3.943	0	20	KHAD	
CC(C)c1nnc(SCC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)n1Cc1ccco1	514395235	GCLRQJSNMDLMPU-UHFFFAOYSA-N	517.677	3.626	0	20	KHAD	
CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514302255	NNCOTUJAYSCKMS-UHFFFAOYSA-N	511.673	3.969	0	20	KHAD	
COc1ccc(NC(=O)CSc2ccc(Br)cc2C)cc1S(=O)(=O)N1CCOCC1	514380406	KEHRBHYWMGZROR-UHFFFAOYSA-N	515.451	3.518	0	20	KHAD	
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1C	514403149	JJSCVRZKBNJVBE-UHFFFAOYSA-N	548.514	3.900	0	20	KHAD	
CCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@H](C)C3)[C@@H]1CCS(=O)(=O)C1	514375358	OXQNLJMLKVZMME-JKSUJKDBSA-N	511.735	3.511	0	20	KHAD	
CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)CC2)cc1	514379840	ZRGXUCRFOFJPHJ-UHFFFAOYSA-N	587.686	3.763	0	20	KHAD	
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1CN1CCOCC1	514384503	UCQNTCMJAXKBFQ-QFIPXVFZSA-N	510.487	3.994	0	20	KHAD	
CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1cc(NC(C)=O)ccc1OC	514391307	GMDWROFOGLEYOR-UHFFFAOYSA-N	526.681	3.697	0	20	KHAD	
COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2CCC(C(=O)N3CCCC3)CC2)cc1OC	514391770	QHQWTSJWRMIYLH-QFIPXVFZSA-N	510.660	3.777	0	20	KHAD	
COc1ccc(CCn2c(S[C@H](C)C(=O)N3CCC(C(N)=O)CC3)nc3sc4c(c3c2=O)CCCC4)cc1OC	514395349	IRGNLNBZTLJWOE-QGZVFWFLSA-N	584.764	3.801	0	20	KHAD	
O=C(Cc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514294912	DILZLKDQKXVLTD-UHFFFAOYSA-N	526.455	3.849	0	20	KHAD	
CCn1c(CSc2nc3cc(Cl)ccc3c(=O)n2CCCOC)nc2cc(S(=O)(=O)N(C)C)ccc21	514304340	RWZOONZRYBPLNK-UHFFFAOYSA-N	550.106	3.999	0	20	KHAD	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)o2)cc1	514382943	CCZGDQASVNQWLA-UHFFFAOYSA-N	516.645	3.786	0	20	KHAD	
CCNC(=O)c1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)c1	514386411	OCKZMLNVIBLILL-GOSISDBHSA-N	526.684	3.996	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nnc1-c1ccc(OC)c(OC)c1	514402020	JKSSDNFDLSKBRK-NFBKMPQASA-N	539.702	3.870	0	20	KHAD	
CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2	514404955	OQCAFRKGSDHSQB-TWGQIWQCSA-N	535.670	3.962	0	20	KHAD	
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)c1OC	514298647	DPZOMEZCEHLKFQ-UHFFFAOYSA-N	516.660	3.518	0	20	KHAD	
O=C(CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1)Nc1ccccc1Cl	514299476	GHTULNKHQJQXQR-UHFFFAOYSA-N	573.037	3.542	0	20	KHAD	
CN(C)[C@@H](CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1)c1ccccc1	514375041	KHVUNPIJUFDPCS-SANMLTNESA-N	598.795	3.592	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N(CCC)CC(=O)Nc1ccc(F)c(F)c1F)n2CC(C)C	514377286	QDIXRQNWBUTRNX-UHFFFAOYSA-N	564.609	3.982	0	20	KHAD	
CCCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1c(O)nc(=O)n(CCC)c1N	514294753	ARWWRGSQKUSSTJ-UHFFFAOYSA-N	594.056	3.847	0	20	KHAD	
O=C(CCCc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514294871	CSAIMIMXBAPIDJ-UHFFFAOYSA-N	514.492	3.976	0	20	KHAD	
O=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514299018	CIOLLZYFHYBHFM-UXHICEINSA-N	585.729	3.994	0	20	KHAD	
COc1cc(CNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc(OC)c1OC	514299656	IXAOAAHDDIPIAG-UHFFFAOYSA-N	517.431	3.736	0	20	KHAD	
CCCCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514301827	DLVWFMISSCPKHJ-QHCPKHFHSA-N	516.689	3.779	0	20	KHAD	
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514377237	OLVSPPJWNPQMFW-UHFFFAOYSA-N	569.602	3.743	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)CC1	514381164	ZWTSGQAJNPTLAW-UHFFFAOYSA-N	501.424	3.727	0	20	KHAD	
Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(S(=O)(=O)N5C[C@H](C)O[C@@H](C)C5)cc4)CC3)c2c1C	514383943	HYRVBFRZWAKRGF-IRXDYDNUSA-N	543.715	3.961	0	20	KHAD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514387587	PFQKKWZCNYEMTI-UHFFFAOYSA-N	563.101	3.882	0	20	KHAD	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC[C@@H](c4nnc5n4CCCCC5)C3)c2)cc1	514391794	OPBPIHGKDNBPAS-HXUWFJFHSA-N	509.632	3.834	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCOCC3)n2C2CCCCCC2)c1	514404915	NIWMKHIODIQUPT-UHFFFAOYSA-N	535.736	3.822	0	20	KHAD	
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccc3c(c2)OCO3)C1	514375078	KFGBQQOZOGLBHR-YPAWHYETSA-N	627.789	3.728	0	20	KHAD	
COc1cc([C@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)N[C@@H](C(C)C)C2=O)ccc1OC(F)F	514387627	LBSGEXOUXBFSRW-QRWLVFNGSA-N	506.531	3.612	0	20	KHAD	
COc1cccc(NC(=O)[C@H](Sc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)c2ccccc2)c1	514392878	GJZBMNJXFPXMCS-DHIUTWEWSA-N	509.632	3.774	0	20	KHAD	
O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	864034011	QQJLXYULXUPDQC-QFIPXVFZSA-N	500.005	3.816	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccccc3C(=O)OC)n2[C@H](C)COC)c1	514293091	PRKQHGSNRLJPIR-GOSISDBHSA-N	575.713	3.700	0	20	KHAD	
COCCCN(C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514299517	HKMFFFHLIANYKQ-UHFFFAOYSA-N	533.633	3.712	0	20	KHAD	
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1C	514380879	WZMXLNMXKLHVFO-GOSISDBHSA-N	596.562	3.793	0	20	KHAD	
COCCN(C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)c1c(O)nc(=O)n(CC(C)C)c1N	514393394	ZGPTZTOAIVCDKC-UHFFFAOYSA-N	533.633	3.781	0	20	KHAD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cc(F)ccc2Br)CC1	514405642	ZRILYQKIVNJSQE-UHFFFAOYSA-N	539.471	3.767	0	20	KHAD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)c1C	514300737	SHUMLRDKYSHRJK-UHFFFAOYSA-N	580.683	3.850	0	20	KHAD	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3c(C(=O)N4CCOCC4)oc4ccccc34)cc2)C1	514387123	CNTWDTUEMIKAHG-GOSISDBHSA-N	511.600	3.578	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N[C@H]2CCSc3ccc(F)cc32)c(O)nc1=O	514388152	PMKZOBNRIADJJZ-SFHVURJKSA-N	519.643	3.593	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)nnc1-c1ccc(OC)c(OC)c1	514395894	WPRHRVFYWAOISI-ICSRJNTNSA-N	542.658	3.778	0	20	KHAD	
COc1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)ccc1N1CCCC1=O	514401912	BOJWALGWEREEES-QZTJIDSGSA-N	515.632	3.750	0	20	KHAD	
O=c1cc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C2CCCCCC2)occ1O	514301304	YMDKLOOZRMKUSY-UHFFFAOYSA-N	546.671	3.812	0	20	KHAD	
COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1	514304389	SLRGMVRUOCEDPY-UHFFFAOYSA-N	515.661	3.798	0	20	KHAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1	514377642	CYERLPKXDVSXAW-UHFFFAOYSA-N	528.549	3.973	0	20	KHAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1	514382833	WOLJRCATGHKCJB-MRXNPFEDSA-N	563.602	3.885	0	20	KHAD	
CCCn1c(CCC(=O)Nc2nc(C)c(C(=O)OC)s2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514383914	HPDQWCFDNXETOE-UHFFFAOYSA-N	521.665	3.600	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1CCC(N)=O	514393972	DEYQMZKYSKZLQZ-UHFFFAOYSA-N	562.743	3.566	0	20	KHAD	
C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1Oc1cccc(Br)c1)CS2	514297217	YAMIZHUKSHZSMA-HYBUGGRVSA-N	596.525	3.655	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CSc2nnc(-c3cccc(C)c3)n2CC)c(O)nc1=O	514374732	GTWWFRDWFFROMB-UHFFFAOYSA-N	513.668	3.699	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(C3CC3)n2Cc2ccco2)sc(C(=O)N(C)C)c1C	514376628	OVFHTDALUYHTDW-UHFFFAOYSA-N	517.633	3.776	0	20	KHAD	
COc1cc(C)c(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc1OC	514295417	JDUHOFQZDRQYRU-UHFFFAOYSA-N	500.621	3.645	0	20	KHAD	
CCCCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514301826	DLVWFMISSCPKHJ-HSZRJFAPSA-N	516.689	3.779	0	20	KHAD	
CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)C1	514375637	UEWJLNRWQLJEQO-GOSISDBHSA-N	537.633	3.748	0	20	KHAD	
CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)ccc1OCC(=O)N1CCCCC1	514377990	BCIDVELYXJJVOK-SFTDATJTSA-N	559.685	3.527	0	20	KHAD	
COc1ccc([C@H](CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)N2CCOCC2)cc1	514393045	LVTJJHJSAYBXAV-DEOSSOPVSA-N	519.564	3.756	0	20	KHAD	
CCCCn1c(N)c(N(CC)C(=O)c2ccc(OCCOc3ccccc3)c(OCC)c2)c(O)nc1=O	514296024	NTBHSQRITGEWKC-UHFFFAOYSA-N	510.591	3.854	0	20	KHAD	
O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514299863	JTNZDDXWKAUHBW-MFTRHXJISA-N	573.715	3.571	0	20	KHAD	
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1	514376835	IAXYEXBSIBWEMV-UHFFFAOYSA-N	512.554	3.961	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(C(C)C)cc2)c(C(=O)OC)c1C	514380491	LUOXATYURBLBCS-QGZVFWFLSA-N	542.701	3.792	0	20	KHAD	
CCOc1ccc(-n2c(COc3ccc(Cl)cc3C)nnc2S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	514387941	JVJCKKBHDJBLFH-PKOBYXMFSA-N	565.117	3.991	0	20	KHAD	
CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1	514389525	IMUQRNJKXPCABI-UHFFFAOYSA-N	575.160	3.838	0	20	KHAD	
CCc1cccc[n+]1/C(C(=S)NCC(F)(F)F)=C(/O)c1ccc2c(c1)CCN2S(=O)(=O)CC	725760897	LSSVHZRXXYFQRH-UHFFFAOYSA-O	500.588	3.612	0	20	KHAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(-c2ccncc2)n1CC	514292976	ODWKRTDSAVRSQT-UHFFFAOYSA-N	512.636	3.725	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCN(C(C)=O)CC3)n2-c2cccc(C(F)(F)F)c2)c1	514294432	ZNCZLYYTPNIRBV-UHFFFAOYSA-N	624.711	3.766	0	20	KHAD	
CCn1c(CCC(=O)Nc2cccc(Cl)c2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514380568	PKKBIWQQOVCLNO-UHFFFAOYSA-N	511.431	3.955	0	20	KHAD	
CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)N(CCOC)c3c(O)nc(=O)n(CC(C)C)c3N)nc(O)c12	514383025	DYQYOUSBVMCUGH-AWEZNQCLSA-N	564.734	3.566	0	20	KHAD	
CCCn1c(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)nc2ccc(Br)cc2c1=O	514383488	JXJPSVHTSFHYDQ-KRWDZBQOSA-N	542.521	3.619	0	20	KHAD	
CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CN2CCOCC2)cc1	514385117	ZCAOUPVJHIIBNY-OAQYLSRUSA-N	532.515	3.864	0	20	KHAD	
Cn1ccnc1[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1cccc(F)c1	514390437	JYTBPGHPGZKKBD-RUZDIDTESA-N	510.635	3.745	0	20	KHAD	
CC(C)c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)n1Cc1ccco1	514392587	YOJPTMNQGXBTDA-UHFFFAOYSA-N	543.715	3.547	0	20	KHAD	
Cc1ccc(-c2nnc(SCC(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)o2)cc1C	514402536	BYCYSJPUDLSOCF-UHFFFAOYSA-N	500.625	3.635	0	20	KHAD	
Cc1nc(N)sc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4ccc(Cl)cc4nn3)sc2C1	1816905618	WZROCYYTSSHSRT-LBPRGKRZSA-N	500.009	3.626	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1scnc1C1CC1)CC2)c1cc(Cl)c2nncn2c1	1819677525	QGDAABWQLJXAKM-LBPRGKRZSA-N	500.009	3.713	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1	514293113	RWSLQYVAPHXMKT-UHFFFAOYSA-N	542.454	3.771	0	20	KHAD	
COc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c(OC)c1	514386011	ZIAYNKKROGDZBM-HSZRJFAPSA-N	530.643	3.630	0	20	KHAD	
C[C@H]1CCCN(Cc2csc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)n2)C1	514390889	APTILRXFHKWEBB-FQEVSTJZSA-N	547.747	3.639	0	20	KHAD	
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514292268	JXYPEMKHTITUSX-UHFFFAOYSA-N	524.609	3.805	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)Cc3ccco3)n2CC(C)C)c1	514294405	YXCNVXXYVLVUKJ-UHFFFAOYSA-N	519.693	3.975	0	20	KHAD	
Cc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c(Cl)c1	514295798	FOMJWZPIUPFABM-UHFFFAOYSA-N	521.945	3.661	0	20	KHAD	
COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)CCC(=O)N2c2ccc(OC)cc2)cc1	514296942	TVVMWEMMYYQKQP-FREGXXQWSA-N	609.701	3.856	0	20	KHAD	
CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC(C(=O)N2CCCCC2)CC1	514297382	VPVCQNYHRUWFHM-FQEVSTJZSA-N	536.547	3.645	0	20	KHAD	
Cc1nc(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c2cc(-c3ccccc3)sc2n1	514298848	ACWUIKRQJSHIGT-MOPGFXCFSA-N	517.698	3.954	0	20	KHAD	
COC(=O)CCCCCn1c(SCc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)nc2ccccc2c1=O	514386144	FWERBMUUXLBJTF-UHFFFAOYSA-N	542.639	3.815	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514405538	XHGXIHGLIKFJKC-WOJBJXKFSA-N	551.090	3.527	0	20	KHAD	
Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(-n3cccn3)cc1Cl)CC2	1817604806	SOIQOWLOHIQWQL-LBPRGKRZSA-N	500.009	3.682	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NC[C@@H](c1ccco1)N1CCCCC1)n2CC(C)C	514292725	PPCAJJSMYSBNKB-FQEVSTJZSA-N	512.655	3.624	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)n1-c1ccc(OC)cc1)N(C)C	514293075	POBYWQQBFCCBJB-HSZRJFAPSA-N	512.655	3.869	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2CCCOC)c1	514385367	FRGHMIDIQCXBSR-UHFFFAOYSA-N	577.729	3.760	0	20	KHAD	
COCCCN(C(=O)c1sc(COc2ccc(Cl)cc2)nc1C)c1c(O)nc(=O)n(CC(C)C)c1N	514389748	LOACUVYIEXPMPB-UHFFFAOYSA-N	536.054	3.868	0	20	KHAD	
CCCCN/C(S)=C(/C(=O)c1ccc2c(c1)CCN2S(=O)(=O)CC)[n+]1ccc2c(c1)CCCC2	27322696	HJNGMHCVTFEHOH-UHFFFAOYSA-O	500.710	3.894	0	20	KHAD	
CCCCn1c(S[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21	514291303	DUBRCURITGHLTJ-LJQANCHMSA-N	545.731	3.939	0	20	KHAD	
CCCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514291849	IIDKKQRUWYLCBF-UHFFFAOYSA-N	545.687	3.547	0	20	KHAD	
CC(C)CN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514295155	HHGDZOBWEWNHKF-OAQYLSRUSA-N	538.048	3.774	0	20	KHAD	
CCOc1ccc(OCc2nnc(SCC(=O)N(CCOC)[C@@H]3CCS(=O)(=O)C3)n2-c2ccc(Cl)cc2)cc1	514302204	MONFWBNPWLBSIQ-OAQYLSRUSA-N	595.143	3.653	0	20	KHAD	
CCOC(=O)c1sc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1C	514381893	AWMLHBFNWSYAKW-OAHLLOKOSA-N	502.618	3.776	0	20	KHAD	
CCN(CC)C(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCCCC(N)=O)cc1	514391561	MUPVDLAFTGHDOH-UHFFFAOYSA-N	523.659	3.655	0	20	KHAD	
C[C@H]1CN(Cc2csc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)n2)C[C@H](C)O1	514393831	MGHKGIOJOHWHPC-HOTGVXAUSA-N	546.637	3.811	0	20	KHAD	
Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)nc(O)c2c1C	514394688	ZBDQPSALITVSLS-INIZCTEOSA-N	515.661	3.545	0	20	KHAD	
CCc1cc[n+](/C(C(=S)NCC(F)(F)F)=C(/O)c2ccc3c(c2)CCN3S(=O)(=O)CC)cc1	725761586	SUZLCPUVPSVFHM-UHFFFAOYSA-O	500.588	3.612	0	20	KHAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)C2(c3ccccc3)CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1	514299796	IXXLVRFLMAFBLA-UHFFFAOYSA-N	616.784	3.957	0	20	KHAD	
CCCCCN(C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1c(O)nc(=O)n(CCCC)c1N	514381567	JLNIHQWHIOIREE-UHFFFAOYSA-N	501.672	3.577	0	20	KHAD	
CC(=O)NCCc1ccc(-c2csc(NC(=O)C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)n2)cc1	514391765	OCYLPNOSIFONKE-UHFFFAOYSA-N	558.590	3.800	0	20	KHAD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CCCOC(C)C)c1C	514300276	NEMBNUJNPAMSBJ-UHFFFAOYSA-N	553.106	3.860	0	20	KHAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)c12	514384200	QKODXLOFINEBQB-MOPGFXCFSA-N	514.673	3.860	0	20	KHAD	
CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	514387830	RVCWRTHDZVUUOW-IBGZPJMESA-N	588.535	3.999	0	20	KHAD	
C[C@@H]1CCCN(c2nnc(S[C@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)n2Cc2ccco2)C1	514394530	YDHZWVUJGPZZGM-HUUCEWRRSA-N	536.580	3.809	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514395999	YZGAEJOOLILKND-GOSISDBHSA-N	557.698	3.964	0	20	KHAD	
COCCCN(C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514292662	PEAVHRLVHRLSCY-UHFFFAOYSA-N	590.706	3.566	0	20	KHAD	
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1	514296372	LXZKFFBCZLHGRA-UHFFFAOYSA-N	507.603	3.976	0	20	KHAD	
Cc1cc(C(=O)CSc2nnc(CCC(N)=O)n2CC(C)C)c(C)n1C[C@@H]1COc2ccccc2O1	514300434	OQCHKUBQEDRMAO-LJQANCHMSA-N	511.648	3.585	0	20	KHAD	
CC[C@H](C)n1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514375021	JZNLALRRMMZQCJ-INIZCTEOSA-N	524.713	3.663	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514379000	KTTUVNHLURWDPU-UHFFFAOYSA-N	619.684	3.553	0	20	KHAD	
COC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)nc2c1	514384856	ZUXVWPOMSROOPB-NRFANRHFSA-N	604.150	3.935	0	20	KHAD	
O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1	514402400	IHZDMXIJEXRBLL-UHFFFAOYSA-N	550.607	3.843	0	20	KHAD	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1	514292226	IRQAQOQWIQMFJN-JOCHJYFZSA-N	500.599	3.505	0	20	KHAD	
O=C(CSc1ccccc1C(=O)NCC1(N2CCOCC2)CCCCC1)Nc1ccc2c(c1)OCO2	514294139	ZDAHPAGSFVMRDB-UHFFFAOYSA-N	511.644	3.911	0	20	KHAD	
CCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514374404	BKYNJFAELFMOEZ-GOSISDBHSA-N	511.673	3.819	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nnc(-c2cccc(C)c2)n1-c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1	514403265	RWWDZXMOCUWDMK-RXVVDRJESA-N	514.673	3.768	0	20	KHAD	
CN(Cc1ccc(Br)s1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514405634	ZJWAPBVWPLOZQL-UHFFFAOYSA-N	529.478	3.731	0	20	KHAD	
CC(C)c1ccc(Nc2nnc(SCC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)s2)cc1	514300916	TVMSUAXUXGWZPK-MOPGFXCFSA-N	510.707	3.692	0	20	KHAD	
CC(C)(C)OC(=O)[C@]1(Cn2cccn2)C[C@H](C(=O)O)[C@H](c2cncs2)N1C(=O)OCc1ccccc1	12506693	ZQKYAXPZIZMLGM-DMJCMNNJSA-N	512.588	3.905	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc3c(=O)[nH]c4ccccc4n23)sc2c1CC(C)(C)NC2(C)C	514297011	MBYAAUPPHHAREJ-UHFFFAOYSA-N	540.671	3.699	0	20	KHAD	
COc1cccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)N2CCCC2)c1	514299664	MSPRQYFNSJMLOQ-HHHXNRCGSA-N	511.688	3.538	0	20	KHAD	
CS(=O)(=O)N1CCC(C(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccco2)CC1	514301929	IJYHRTMDPVLZAN-UHFFFAOYSA-N	521.945	3.591	0	20	KHAD	
CCCCCNC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)COC	514302191	MBTXODICHHABBF-RTBURBONSA-N	525.741	3.970	0	20	KHAD	
COc1ccc(C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	514388094	ORZMAYNWPOUGGM-OALUTQOASA-N	542.658	3.876	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1	514393118	OCAKFFVIEIETNW-UHFFFAOYSA-N	527.565	3.932	0	20	KHAD	
CCCCN(C(=O)Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)[C@H]1CCS(=O)(=O)C1	514402934	HMMHORKPBSDKKR-KRWDZBQOSA-N	538.489	3.703	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(Br)cc3)CC2)cc1OC	514298842	IBUODXGIGUIROB-UHFFFAOYSA-N	511.438	3.526	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c(C(=O)OC)c1C	514377858	LXUILLBJMVDOOJ-UHFFFAOYSA-N	529.036	3.631	0	20	KHAD	
Cc1cccc(NC(=O)CN(C)CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1C	514391755	NTFVATIAGCMGOI-UHFFFAOYSA-N	507.056	3.640	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCO[C@H](c2ccc(F)cc2)C1	514402830	RQDQNQVIDYXYFC-FQEVSTJZSA-N	500.514	3.845	0	20	KHAD	
CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N(CCOC)c4c(O)nc(=O)n(CC(C)C)c4N)nnc23)cc1	514291851	IIPUBUMSTMJPLA-FQEVSTJZSA-N	646.774	3.819	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)n1-c1ccc(OC)cc1)N(C)C	514298271	YSBLDFKCBCFHLH-GOTSBHOMSA-N	523.659	3.507	0	20	KHAD	
O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	514377421	UWMUVABDBKATPS-NRFANRHFSA-N	615.388	3.630	0	20	KHAD	
CC(C)(C)c1cc(NC(=O)CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)n(-c2ccccc2)n1	514393562	FKFJFLRSCSBDBR-HXUWFJFHSA-N	525.679	3.508	0	20	KHAD	
CC[C@H](c1nnc(SCc2nnc(-c3ccccc3Br)o2)n1CCN1CCOCC1)N(C)C	514292998	OKMZVZCKTXQHBI-GOSISDBHSA-N	536.500	3.728	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@H](O)COc3ccc(Cl)cc3)n2C)c1	514294262	YNNYZICKLLGEDT-GOSISDBHSA-N	511.069	3.698	0	20	KHAD	
CCn1c(CCC(=O)N2CCN(Cc3cccc4ccccc34)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514301105	WAKNRKRUBAZZLI-UHFFFAOYSA-N	575.735	3.507	0	20	KHAD	
C[C@H](Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1	514302695	QDUDVPNEBDFEOQ-SFHVURJKSA-N	529.066	3.575	0	20	KHAD	
Cc1ccc([C@H](CN2CCOCC2)NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1	514387105	BUUVXNWZOLOXRT-DEOSSOPVSA-N	539.620	3.604	0	20	KHAD	
Cc1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)CN3C(=O)N[C@]4(C[C@@H](C)CC(C)(C)C4)C3=O)s2)c(=O)n(-c2ccccc2)n1C	514300296	NMXJGORERSQQHQ-ZVXFEBSPSA-N	640.792	3.531	0	20	KHAD	
CCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1C1CCCCCC1)[C@@H]1CCS(=O)(=O)C1	514375474	RHOZSCUPHFTIBE-HSZRJFAPSA-N	611.856	3.999	0	20	KHAD	
CCOC(=O)c1sc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@@H]2CCCO2)cc1C	514394136	QQOXVBLCPKBQHV-KRWDZBQOSA-N	507.682	3.971	0	20	KHAD	
CC(C)Cn1c(SCC(=O)c2ccc(CCNS(C)(=O)=O)s2)nc2ccc(Cl)cc2c1=O	514403353	YQBDFTJGOFYVOI-UHFFFAOYSA-N	514.094	3.834	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3cnc4cc(Cl)ccn34)sc2C1)c1snnc1C1CC1	1816073471	QSQNZOJELQWQSY-GFCCVEGCSA-N	500.009	3.713	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1nn(CC(C)C)c(=O)c2ccccc12	514291146	CORQEKHKYUEMLY-UHFFFAOYSA-N	500.621	3.734	0	20	KHAD	
CCCCn1c(S[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21	514291302	DUBRCURITGHLTJ-IBGZPJMESA-N	545.731	3.939	0	20	KHAD	
CCCCCn1c(CCC(=O)Nc2ccc(CN3CCOCC3)cc2)nc2c1c(O)nc(=O)n2CCCC	514301337	ZKKIRFBTSGGKNS-UHFFFAOYSA-N	524.666	3.692	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccccc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514374373	ASNPLDDPDBGQTM-IBGZPJMESA-N	513.689	3.889	0	20	KHAD	
CS(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)c1	514387521	ISOMDOQPKUTZEN-UHFFFAOYSA-N	540.969	3.682	0	20	KHAD	
CC(C)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)CC1	514401032	JOIPMNIZQFXZEE-UHFFFAOYSA-N	551.345	3.601	0	20	KHAD	
CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCCOCCN	2332239629	MVFAWAOZYMMEOQ-RTOKGZNSSA-N	617.743	3.547	0	20	KHAD	
CCOC(=O)c1c(NC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)sc(C(=O)Nc2ccc(C)cc2C)c1C	514298005	ZACXVUKVFUKZEO-UHFFFAOYSA-N	602.735	3.933	0	20	KHAD	
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)n1	514301846	DXDDJNNDDXVXIJ-KRWDZBQOSA-N	505.597	3.556	0	20	KHAD	
CCn1c(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514375496	QCTHGIWBEXVWFE-UHFFFAOYSA-N	648.833	3.664	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2ccc(S(=O)(=O)N[C@H](C)COC)cc2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514381480	GTYNWPVZMMHETF-OAQYLSRUSA-N	607.799	3.751	0	20	KHAD	
CCN(CC)CCn1c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)nc2ccccc21	514382115	GVJZEYAPWGXLCY-FQEVSTJZSA-N	549.701	3.921	0	20	KHAD	
CCCn1c(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)nc2ccc(Br)cc2c1=O	514383489	JXJPSVHTSFHYDQ-QGZVFWFLSA-N	542.521	3.619	0	20	KHAD	
COCCN(C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1	514386123	DVNTYAVAEQHZPK-OAQYLSRUSA-N	535.091	3.650	0	20	KHAD	
Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1	514391650	MSAVJUWCJSCNFU-LJQANCHMSA-N	518.540	3.867	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nnsc1C1CC1)CC2)c1cn2cc(Cl)ccc2n1	1818113118	CXTFEELLNGNQHX-GFCCVEGCSA-N	500.009	3.713	0	20	KHAD	
Cn1c(=O)c(C(=O)N[C@H]2CCc3nc(NC(=O)c4sccc4Cl)sc3C2)nc2ccccc21	1820889394	HVDQMAPWLRIRNS-NSHDSACASA-N	500.005	3.645	0	20	KHAD	
CCCCn1c(S[C@H](C)C(=O)Nc2ccnn2C(C)C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293767	XBQJRJVUIOZONZ-GOSISDBHSA-N	534.708	3.754	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Sc3nnc(-c4cccs4)n3C3CC3)CC2)cc1	514302019	KTLPRJOVIRRWFQ-KRWDZBQOSA-N	517.702	3.664	0	20	KHAD	
CCCCN(C(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1)c1c(O)nc(=O)n(CCCC)c1N	514390174	AGTHSYLVHOXSLM-UHFFFAOYSA-N	588.775	3.943	0	20	KHAD	
CCCC[C@H](c1ccc(-c2ccc(F)cc2)s1)c1cc(C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1C	2048529155	LADQPOJIFFSDTE-VWBLWIKKSA-N	516.631	3.803	0	20	KHAD	
O=C(c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1)N1CCC(C(=O)N2CCCCC2)CC1	514298130	YPJMMBSCYYSUDZ-UHFFFAOYSA-N	527.643	3.513	0	20	KHAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O	514300930	UCWGHIMOAMFKHX-OAHLLOKOSA-N	546.418	3.706	0	20	KHAD	
Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nnc(N2CCCCC2)n1Cc1ccco1	514393107	NSZVKYVAFGPIDH-UHFFFAOYSA-N	503.028	3.719	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)nc2cc(Cl)ccc2c1=O	514404273	AQCJSGNUHLQLLQ-RDJZCZTQSA-N	504.008	3.523	0	20	KHAD	
CCc1ccc(OCc2nnc(SCC(=O)N(CC)[C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2)cc1	514293068	PFHVSTLGWJKSHE-QFIPXVFZSA-N	528.700	3.596	0	20	KHAD	
CC[C@H](C)n1c(SCC(=O)Nc2nc(CC(=O)OC)cs2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514375930	WZCFBCKFTMSYFL-INIZCTEOSA-N	580.758	3.849	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(OC)ccc2Br)c1	514376952	VNKOHRWAZSJGFU-UHFFFAOYSA-N	526.453	3.577	0	20	KHAD	
O=C(c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)N1CCC(C(=O)N2CCCC2)CC1	514382138	HNLPFRFUPGPCOZ-UHFFFAOYSA-N	520.449	3.725	0	20	KHAD	
Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)nc5sccn45)sc3C2)c(Cl)c1	1821156802	JFWJMUQODRRWEQ-GFCCVEGCSA-N	500.005	3.714	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)n1-c1ccc(OC)cc1)N(C)C	514294365	XNMISYBXGMBOHS-UMEGOILYSA-N	602.783	3.817	0	20	KHAD	
CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1I	514303109	UMYWXFSOCRGOPT-UHFFFAOYSA-N	543.427	3.776	0	20	KHAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(Cc2csc(C)n2)o1	514375636	UEQPFWDJTRPAEB-UHFFFAOYSA-N	519.649	3.790	0	20	KHAD	
CCOc1cc2c(cc1CNC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)O[C@H](C)C2	514384793	XFHCHORVLQUINK-MJGOQNOKSA-N	538.670	3.583	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1	514387962	KQIBBQDDMPACHH-DOTOQJQBSA-N	536.075	3.564	0	20	KHAD	
CCCCN(C(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)c1c(O)nc(=O)n(CCC)c1N	514379809	ZJPGGXCURWPJKX-AWEZNQCLSA-N	520.681	3.723	0	20	KHAD	
CCO[C@@H](C)c1nc(CC(=O)N2CCN([C@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)cs1	514404502	FYYRGJQZDQSXGA-LVXARBLLSA-N	506.672	3.985	0	20	KHAD	
Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1CCCN(C)C)CCCC3	514404754	LPMMUMODGOXYRN-INIZCTEOSA-N	502.710	3.758	0	20	KHAD	
COc1ccc(CCn2c(C)cc(C(=O)CSc3nnc(O)n3C[C@@H]3CCCO3)c2C)cc1OC	514291523	GUKDVSQCSCULQO-IBGZPJMESA-N	500.621	3.816	0	20	KHAD	
COC(=O)c1sc2[nH]c(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)nc(=O)c2c1C	514375610	SWZWGOFHIGBNQW-LBPRGKRZSA-N	503.631	3.871	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)c1	514376570	CKKOICUOWLAHSM-SFHVURJKSA-N	523.677	3.541	0	20	KHAD	
CC1(C)OC[C@H](COc2cc(I)c(OC[C@@H]3COC(C)(C)O3)cc2I)O1	261506787	AWJRFLZWRVYMFJ-TXEJJXNPSA-N	590.192	3.956	0	20	KHAD	
CCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)nnc1[C@H](CC)N(C)C	514291967	JBUAZCZAQLAOGZ-JQVVWYNYSA-N	552.767	3.620	0	20	KHAD	
CSCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1nnc2ccccn12	514299723	PNAFWWHZFOMZIM-HSZRJFAPSA-N	527.716	3.619	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2[C@H](C)COC)c1	514303034	JHMRRCAAWUQEAY-GOSISDBHSA-N	577.729	3.931	0	20	KHAD	
COC(=O)CCCCCn1c(SCC(=O)NCc2cc(OC)c(OC)cc2OC)nc2ccccc2c1=O	514386158	GFKWVJYPCGSZRY-UHFFFAOYSA-N	543.642	3.564	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCN(C(C)=O)CC3)n2C(C)(C)CC(C)(C)C)c1	514293407	ULZCTMIDPPADMO-UHFFFAOYSA-N	592.832	3.930	0	20	KHAD	
Cc1c(-c2ccccc2)sc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1C(=O)N1CCOCC1	514294273	YRHKSQXBBIQTNB-WOJBJXKFSA-N	509.628	3.700	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCc3ccccc3F)n2[C@H](C)COC)c1	514297344	SBFVXMAHMYPMKW-GOSISDBHSA-N	549.694	3.731	0	20	KHAD	
CCOc1ccc(NS(=O)(=O)c2ccccc2Br)cc1S(=O)(=O)N1CCCCC1	514300473	VPKMBBKWQBIMIW-UHFFFAOYSA-N	503.440	3.823	0	20	KHAD	
CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)ccc1OCC(=O)N1CCCCC1	514377989	BCIDVELYXJJVOK-OYRHEFFESA-N	559.685	3.527	0	20	KHAD	
CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1	514382937	CANXGUGGXYRDEJ-ILBGXUMGSA-N	570.737	3.544	0	20	KHAD	
CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)nc2ccsc2c1=O	514402229	MEWHXJVXENVZFV-UHFFFAOYSA-N	506.675	3.692	0	20	KHAD	
Cn1ccnc1[C@H](NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)c1ccc(Cl)cc1	751070753	KZIDATCVXNOBSD-HXUWFJFHSA-N	500.003	3.756	0	20	KHAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)c(O)nc1=O	514379292	OZMANWHMBORUJR-UHFFFAOYSA-N	585.727	3.853	0	20	KHAD	
CCS(=O)(=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	514384001	ISYSFVYMFKFWJY-UHFFFAOYSA-N	558.522	3.665	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3c(Cl)cccn13)CC2)c1snnc1C1CC1	1817834127	UQWGAGTUMCCPKO-NSHDSACASA-N	500.009	3.713	0	20	KHAD	
COc1cc(C)c(CN(C)C(=O)CS[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC	514298864	AELMZNBMCMCWHW-LJQANCHMSA-N	526.659	3.529	0	20	KHAD	
COCCN(C(=O)CCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1c(O)nc(=O)n(CC(C)C)c1N	514299835	JPKKMLRYLVDBAP-DEOSSOPVSA-N	556.063	3.506	0	20	KHAD	
CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(Cc2ccccc2C)CC1	514303799	ZKUNJCKBAYNNLH-QFIPXVFZSA-N	504.494	3.953	0	20	KHAD	
CCCCn1c(CCC(=O)N(C)Cc2ccc(OC)cc2OC)nc2cc(S(=O)(=O)N(C)C)ccc21	514377240	OMNHVZLGWZZIQP-UHFFFAOYSA-N	516.664	3.695	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1S(=O)(=O)N1CCCCC1	514382050	DKEPZAWIBFNBER-UHFFFAOYSA-N	515.661	3.880	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Sc2nc3scc(-c4cccs4)c3c(=O)n2C)c(O)nc1=O	514395388	JFCLTVXOVOLWRV-AWEZNQCLSA-N	590.753	3.528	0	20	KHAD	
COc1ccc(-c2nc(CC(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)cs2)cc1OC	514294931	DUJQFIDQMUYXNV-UHFFFAOYSA-N	515.636	3.560	0	20	KHAD	
CCc1ccc(OCc2nnc(S[C@@H](C)C(=O)N(CC)[C@H]3CCS(=O)(=O)C3)n2CC(C)C)cc1	514388305	NREXQYJRTJHPOH-ICSRJNTNSA-N	508.710	3.592	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCN(CCc2ccccc2)CC1	514390247	CRUAUUZTYVXQGE-UHFFFAOYSA-N	510.487	3.781	0	20	KHAD	
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)CC2)c1	514296711	PASFOHPBONMFIL-UHFFFAOYSA-N	655.639	3.861	0	20	KHAD	
CCCCN(C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1c(O)nc(=O)n(CC(C)C)c1N	514299969	JIKSZURKACQCSJ-UHFFFAOYSA-N	548.482	3.635	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C	514302083	AWRYSOGQYINOAU-RUZDIDTESA-N	570.133	3.555	0	20	KHAD	
COc1ccc([C@@H](CNC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)N2CCCC2)cc1	514377509	YRMNUFQFKMPJHV-HHHXNRCGSA-N	553.729	3.642	0	20	KHAD	
CCC(C)(C)NC(=O)CSc1nnc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1-c1ccccc1	514385472	IMVFWUCEJICGOQ-UHFFFAOYSA-N	543.715	3.661	0	20	KHAD	
CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1	514405787	ZGBJNVZYJAEDFM-LJQANCHMSA-N	552.527	3.572	0	20	KHAD	
Cc1cn2c(=O)c(C(=O)N[C@@H]3CCc4nc(NC(=O)c5ccc(Cl)cc5)sc4C3)cnc2s1	1822199054	OLBHCGJSQRYATI-CQSZACIVSA-N	500.005	3.714	0	20	KHAD	
CC(C)(C)OC(=O)[C@]1(Cn2ccnc2)C[C@H](C(=O)O)[C@H](c2cncs2)N1C(=O)OCc1ccccc1	97100463	OHSCCJGQFCHGBV-DMJCMNNJSA-N	512.588	3.905	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1cc(OC)c(OC)c(OC)c1)n2CC	514291929	JKIXUKNFCFLUCS-UHFFFAOYSA-N	536.676	3.843	0	20	KHAD	
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514294939	FAYTZUMMOVQARX-UHFFFAOYSA-N	559.632	3.919	0	20	KHAD	
COc1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1cc(C)ccc1Br	514403340	TUAGGEJYYOVXJS-CALCHBBNSA-N	564.458	3.681	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(O)nc1=O	514405220	SFCJWEPXWKWVND-UHFFFAOYSA-N	533.695	3.587	0	20	KHAD	
CC(C)CCn1c(COc2ccccc2)nnc1SCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1	514376283	GCLCEEFOMBIQHZ-FQEVSTJZSA-N	508.710	3.667	0	20	KHAD	
Cc1cccc(NC(=O)CN2CCN(C(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)CC2)c1C	514382569	QDWYOYWGCJTNQD-UHFFFAOYSA-N	518.687	3.696	0	20	KHAD	
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(CN2CCOCC2)cc1	514387443	HREPTHJVWOCIAJ-QFIPXVFZSA-N	510.487	3.994	0	20	KHAD	
CCCCCn1c(CCC(=O)Nc2cccc(C(=O)NC3CC3)c2)nc2c1c(O)nc(=O)n2CCCC	514387498	IJOFPQIGWIYGMV-UHFFFAOYSA-N	508.623	3.752	0	20	KHAD	
CCCn1c(CSc2nnc(C)n2-c2ccccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514404197	BRWLOFAJVFLRNW-UHFFFAOYSA-N	526.688	3.957	0	20	KHAD	
Cn1nccc1-c1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ncccn2)CC3)sc1Cl	1816061310	UNESCYWBWWGKRT-LLVKDONJSA-N	500.009	3.588	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2[C@H](C)COC)c1	514290921	BEFAKKPZOAWGSZ-GOSISDBHSA-N	574.729	3.872	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1c(O)nc(=O)n(CCC)c1N	514374699	FMGSPXXTAZXCIO-UHFFFAOYSA-N	515.615	3.599	0	20	KHAD	
C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccc3c(c2)OCO3)C1	514375049	KFGBQQOZOGLBHR-BHIFYINESA-N	627.789	3.728	0	20	KHAD	
O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514377181	ZYVXPRORFLEYSG-UHFFFAOYSA-N	597.763	3.864	0	20	KHAD	
CCCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1	514395019	ARXLTHMDHYFRCT-TZIWHRDSSA-N	513.685	3.660	0	20	KHAD	
CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1	514385626	OMJQBQRCAKLAJT-QFIPXVFZSA-N	532.504	3.856	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)n1CCN1CCOCC1)N(C)C	514386360	MCFVMVXYEXFBSV-QPPBQGQZSA-N	546.738	3.822	0	20	KHAD	
CCc1ccc(OCc2nnc(S[C@H](C)C(=O)N(CC)[C@H]3CCS(=O)(=O)C3)n2CC(C)C)cc1	514388306	NREXQYJRTJHPOH-QUCCMNQESA-N	508.710	3.592	0	20	KHAD	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(N2CCC[C@H](C)C2)n1Cc1ccco1	514393433	AUYIWIRFINCZGM-FDDCHVKYSA-N	536.658	3.630	0	20	KHAD	
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(C3CC3)n2CCC(N)=O)sc2c1CC[C@H](C)C2	514394780	SLFVWFUBUXJVLV-QWHCGFSZSA-N	505.666	3.513	0	20	KHAD	
Nc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(-n5cccn5)cc4Cl)sc3C2)s1	1823183009	KLUNXDDLCHRIAB-NSHDSACASA-N	500.009	3.561	0	20	KHAD	
CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1	113079829	DALMAZHDNFCDRP-URLMMPGGSA-N	601.704	3.614	0	20	KHAD	
COC(=O)c1sc2[nH]c(CSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)n3C3CCCC3)nc(=O)c2c1C	514290873	ATPZUJIOEJUFRS-UHFFFAOYSA-N	630.774	3.766	0	20	KHAD	
CCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)nnc1[C@@H](CC)N(C)C	514291965	JBUAZCZAQLAOGZ-CNNODRBYSA-N	552.767	3.620	0	20	KHAD	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)cc1	514377502	YNSUJUUZBYCRIS-UHFFFAOYSA-N	628.773	3.784	0	20	KHAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	514378689	HOBPGXVVQHOQGS-UHFFFAOYSA-N	528.631	3.580	0	20	KHAD	
COCCN(C(=O)CSc1nnc(COc2ccccc2F)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1	514385360	FMBRIETWHQMCND-CTWRKMMKSA-N	580.748	3.748	0	20	KHAD	
CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)[C@@H]1c1ccccc1OC	514400901	DPSFRZFRPAOEKE-LXFBAYGMSA-N	573.712	3.833	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CCCc2nc(C(C)(C)C)no2)c(O)nc1=O	514402598	POILPBDADXITGP-UHFFFAOYSA-N	512.611	3.576	0	20	KHAD	
CCCCn1c(CCC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)nc2c1c(O)nc(=O)n2CCCC	514402902	STJGEWBFZJLOFQ-QFIPXVFZSA-N	559.111	3.675	0	20	KHAD	
COc1ccc(C(OC[C@H]2O[C@@H]3[C@@H](Oc4nc(=O)c(C)cn43)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	202055857	BQEQCEZNLIKSSH-CITHKVLSSA-N	542.588	3.597	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	514291148	CQJFLEWTJQPUPJ-BWKNWUBXSA-N	535.663	3.784	0	20	KHAD	
C[C@@H]1CCCCN1C(=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514291163	DERRBKPHFNDGOC-GOSISDBHSA-N	523.577	3.867	0	20	KHAD	
CCN(CC)[C@@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccccc1Cl	514300950	UKULSEXNNCOJQM-QHCPKHFHSA-N	520.099	3.609	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)CC2)cc1	514378800	XONQGARLQGGNJO-DEOSSOPVSA-N	517.717	3.941	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1	514390978	DXGNHVFNHIBVGA-UHFFFAOYSA-N	567.634	3.577	0	20	KHAD	
Cc1ccc(-n2c(SCC(=O)N(C)CC(=O)Nc3ccc(Br)cc3C)nnc2N2CCOCC2)cc1	514404170	APWCNBZFIIQKRG-UHFFFAOYSA-N	573.517	3.672	0	20	KHAD	
COC(=O)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@](C)(OC(=O)[C@@H](C[C@H]1CCNC1=O)NC(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@H]1CCNC1=O	1911530814	QZTPJSZXBIOROJ-OCYHNXBSSA-N	877.090	3.821	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(Nc2ccccc2F)s1)c1c(O)nc(=O)n(CCC)c1N	514291256	DFRZTZRQXCCNET-UHFFFAOYSA-N	507.617	3.601	0	20	KHAD	
O=C(COc1ccc(Cl)cc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514296231	NJAZQNJIKZRNLN-UHFFFAOYSA-N	543.347	3.973	0	20	KHAD	
Cc1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)[C@H]3C[C@H]4C=C[C@H]3C4)s2)c(=O)n(-c2ccccc2)n1C	514299092	DGVPYTMQNVUUEH-OVWQWFNUSA-N	510.645	3.606	0	20	KHAD	
Cc1cccc(NC(=O)CN2CCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)CC2)c1C	514300079	SBGUCGCWHQSQOC-UHFFFAOYSA-N	566.646	3.506	0	20	KHAD	
CCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514374407	BKYNJFAELFMOEZ-SFHVURJKSA-N	511.673	3.819	0	20	KHAD	
O=C(CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514375010	JVWSVYYAIXRMMO-UHFFFAOYSA-N	643.811	3.744	0	20	KHAD	
O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1	514384854	ZUEGHHKENQFPIE-SFHVURJKSA-N	536.075	3.742	0	20	KHAD	
CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1	514387429	GRSCSCULHVLZJG-UHFFFAOYSA-N	531.462	3.876	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1	514393471	CCAHLSJVYANYLT-IPMKNSEASA-N	506.694	3.876	0	20	KHAD	
O=C(CSc1nnc(NCCc2cccs2)s1)NCc1ccccc1S(=O)(=O)N1CCCCC1	514395867	VZIIBKXPGVUYMC-UHFFFAOYSA-N	537.758	3.837	0	20	KHAD	
Cc1cccc(NC(=O)CN(C)C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1C	514301666	BSRFVIXFEANNHP-UHFFFAOYSA-N	511.566	3.820	0	20	KHAD	
CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1	514374777	HEFLJUJYXIYHSV-KRWDZBQOSA-N	521.611	3.572	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc3scc(-c4cccs4)c3c(=O)n2CC)c(O)nc1=O	514375563	RNIUEXPIACMZHN-UHFFFAOYSA-N	590.753	3.623	0	20	KHAD	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1S(=O)(=O)N1CCCCC1	514377680	DWLYWTDKLHFKNH-UHFFFAOYSA-N	606.586	3.733	0	20	KHAD	
COCCN(C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514377786	JILFCTFMTHNFMG-UHFFFAOYSA-N	580.995	3.543	0	20	KHAD	
CCOC(=O)c1sc2[nH]c([C@H](C)Sc3ccc(S(=O)(=O)N4CCCCC4)cn3)nc(=O)c2c1C	514380360	IJDCEDSDFAKCRB-AWEZNQCLSA-N	522.674	3.893	0	20	KHAD	
CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)nc(O)c12	514404959	OQIFECSBTQNJBM-WFASDCNBSA-N	523.706	3.889	0	20	KHAD	
CCCCOC(=O)Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(N[C@H](C)C(=O)OC(C)C)Oc3ccccc3)[C@@H](O)C2(F)F)c(=O)n1	2048529158	LIKBZQPVKUKSNP-KSCNLWLASA-N	632.554	3.619	0	20	KHAD	
CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1	514376735	FYXPDHAYYRMFGF-HXUWFJFHSA-N	517.652	3.849	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)nnc12	514383296	GGTPDXSSWYMIAZ-LREROPASSA-N	552.701	3.746	0	20	KHAD	
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1	514383853	MPXZONCDNJWELC-WOJBJXKFSA-N	543.715	3.656	0	20	KHAD	
O=C(N[C@H](CN1CCOCC1)c1ccccc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514387674	ICRMAUXSNBMLTQ-JOCHJYFZSA-N	526.486	3.584	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NCc1ccc(OC(F)F)c(OC)c1)n2CC(C)C	514299207	CRGCJOTZXCNVRG-UHFFFAOYSA-N	521.565	3.614	0	20	KHAD	
CCCCn1c(CCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514302710	QUMBRPBCTZEPOQ-LJAQVGFWSA-N	597.782	3.752	0	20	KHAD	
O=C(CCSc1nnc(C2CC2)n1Cc1ccco1)Nc1cccc(S(=O)(=O)N2CCCC2)c1	514391492	JLOIJQIHROKOLW-UHFFFAOYSA-N	501.634	3.702	0	20	KHAD	
CS(=O)(=O)NCCc1ccc(/C(O)=C(/C(=S)NCC2CCC2)[n+]2ccc3c(c2)CCCC3)cc1	1322382419	YAHDVUKIMKWPKY-UHFFFAOYSA-O	500.710	3.546	0	20	KHAD	
CCCOc1ccc(CN(CCC)C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1OCC	514291278	CUMRHDDQOKTZMW-UHFFFAOYSA-N	524.705	3.938	0	20	KHAD	
CCCn1c(CCC(=O)NC[C@@H](c2ccco2)N2CCCC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514291715	GAARLDRUTKNWIN-DEOSSOPVSA-N	529.707	3.956	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1)n2C	514293242	UGUNFDYHLWNZPQ-MHZLTWQESA-N	555.745	3.888	0	20	KHAD	
COc1ccc(Br)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c1	514294876	CUSRJHRVLSXALC-UHFFFAOYSA-N	553.353	3.672	0	20	KHAD	
CC(C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514296182	MVMHBRVBNILXNY-UHFFFAOYSA-N	567.712	3.837	0	20	KHAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4ccc(CNC(C)=O)s4)cs3)CC2)cc1	514383756	JPMHCDFPXZAQKD-UHFFFAOYSA-N	576.722	3.724	0	20	KHAD	
COc1ccc(COC[C@@H](O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1OC	514388440	YJPSPTIEKDADRG-RTWAWAEBSA-N	503.596	3.950	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)n1-c1ccc(OC)cc1)N(C)C	514389383	FKSSUZVPYQSIMU-XMMPIXPASA-N	508.692	3.725	0	20	KHAD	
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1	514401038	JWSBLCJTNRWVSO-UHFFFAOYSA-N	525.993	3.613	0	20	KHAD	
CCCCn1c(CCC(=O)NC[C@H](c2ccco2)N2CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514291750	HBKTZKQYPOHBOV-HSZRJFAPSA-N	515.680	3.566	0	20	KHAD	
Cc1ccc(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1	514292291	JZUAHXPCSZCIAA-UHFFFAOYSA-N	569.705	3.778	0	20	KHAD	
COc1ccc(-c2nnc(S[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)C(C)C)n2C2CCCCC2)cc1OC	514304783	ZLMXHZJHMAYAAA-XMSQKQJNSA-N	536.720	3.888	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@@H](Cc3ccccc3)C(C)=O)n2[C@H](C)COC)c1	514374927	IGLDGBMZMWRXGX-NLFFAJNJSA-N	587.768	3.592	0	20	KHAD	
C[C@H]1CCCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2[C@H](C)c2ccccc2)C1	514375418	PUOYGBFNKIMQIJ-FCHUYYIVSA-N	569.753	3.926	0	20	KHAD	
CN(C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1cccc(F)c1	514292415	LCKPUPWFPCIOME-HXUWFJFHSA-N	501.546	3.664	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1	514292664	PEFDYNIRZZIMTG-UHFFFAOYSA-N	595.147	3.635	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O	514295210	CUBQWZMNQVFUID-FQEVSTJZSA-N	555.653	3.676	0	20	KHAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O	514300929	UCWGHIMOAMFKHX-HNNXBMFYSA-N	546.418	3.706	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1	514375332	NTYBCIUAFZRWPI-IBGZPJMESA-N	544.139	3.629	0	20	KHAD	
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(OC)c(S(=O)(=O)N3CCOCC3)c1)CC2	514377336	RMDUXWJGLRQDAL-SANMLTNESA-N	558.678	3.583	0	20	KHAD	
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1	514380370	IREGAMAAFJGNNV-VWLOTQADSA-N	561.770	3.515	0	20	KHAD	
CCCCCn1c(CCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)nc2c1c(O)nc(=O)n2CCCC	514387411	FUSPXSHYRDQZFZ-MRXNPFEDSA-N	510.595	3.580	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(NCCc2cccs2)s1)c1c(O)nc(=O)n(CC(C)C)c1N	514391120	GJOXJNUGOAQVGL-UHFFFAOYSA-N	537.737	3.536	0	20	KHAD	
CCn1cc(NC(=S)/C(=C(/O)c2ccc(O)c(C(N)=O)c2)[n+]2ccc(Cc3ccccc3)cc2)cn1	726178163	GSSYBBZBVOWBOT-UHFFFAOYSA-O	500.604	3.909	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	514296625	NUZYOHQLWOSRCH-UHFFFAOYSA-N	571.668	3.578	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cc(Br)ccc2N2CCOCC2)cc1	514299533	HIMZYFMLABRKNM-UHFFFAOYSA-N	538.464	3.528	0	20	KHAD	
COc1cc(NC(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(OC)cc1NC(=O)c1ccccc1	514378649	GORWFNBLGSOJBX-UEXGIBASSA-N	525.627	3.801	0	20	KHAD	
COc1ccc(C2=NN(C(=O)Cn3nc(C)c(S(=O)(=O)N4CCCCC4)c3C)[C@H](c3ccco3)C2)cc1	514384485	STHXPSBFINUMAW-QHCPKHFHSA-N	525.631	3.654	0	20	KHAD	
COC(=O)C[C@H](NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc(OC)c(OC)c1	514389858	PHIJOAXGFYADBS-YYDVJCTNSA-N	512.603	3.906	0	20	KHAD	
O=C(Cc1ccc(Cl)s1)N[C@H]1CCc2nc(NC(=O)c3cc4cccnc4nc3O)sc2C1	1823980930	BXEDAHOKGZUOHN-LBPRGKRZSA-N	500.005	3.975	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	514291312	DDDRMXXLTGANGG-QZTJIDSGSA-N	587.724	3.822	0	20	KHAD	
O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(Cl)cc1F	514298085	XTLBPIAGWZTLFE-UHFFFAOYSA-N	532.059	3.741	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514303859	PTGZAYQMLRCECZ-UHFFFAOYSA-N	589.658	3.928	0	20	KHAD	
CCC(CC)NC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1	514395097	CFCORHNUTRAVDR-GOSISDBHSA-N	535.736	3.867	0	20	KHAD	
CCCCN(C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1c(O)nc(=O)n(CC(C)C)c1N	499335163	WCAVLSLDLDDPNB-UHFFFAOYSA-N	500.003	3.746	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCO1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514293553	VTBWIQYIEJLRPO-DEOSSOPVSA-N	619.748	3.951	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514296752	KPSBOMPVWHTQLQ-IFMALSPDSA-N	519.737	3.578	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)ccc1Cl	514296999	VLCJTQCJGAWUEG-UHFFFAOYSA-N	550.049	3.688	0	20	KHAD	
COc1cc(-c2nnc(SCC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)n2C2CCCCC2)cc(OC)c1OC	514300757	TVCSQBRTDSDNHI-UHFFFAOYSA-N	588.775	3.627	0	20	KHAD	
Cc1cc[n+](/C(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1	27292393	XNRINZFRDPARKT-UHFFFAOYSA-O	500.641	3.873	0	20	KHAD	
CCn1c(SCC(=O)NCCCc2ccccc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514302411	DTBCOMVFDBLXAA-UHFFFAOYSA-N	513.689	3.591	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)N2CCc3ccccc32)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514375950	XQWONKZLJQJNCU-GOSISDBHSA-N	511.673	3.819	0	20	KHAD	
CCCCn1c(CCC(=O)NCc2ccccc2CN2CCOCC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514384767	WMDARGCCVOISGX-UHFFFAOYSA-N	569.772	3.948	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)N3CCN(c4ccc(F)cc4)CC3)o2)c1	514395947	XTGUXLBHSOCVGI-GOSISDBHSA-N	547.678	3.736	0	20	KHAD	
COCCn1c(SCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)nnc1-c1ccncc1	514375266	OEVGLYDIJVMAJD-OAQYLSRUSA-N	501.056	3.685	0	20	KHAD	
CCCCn1c(CCC(=O)NCc2ccc(OC)c(C(=O)OC)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514381152	ZIPTUMYACUZZHX-UHFFFAOYSA-N	556.685	3.665	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)CC2)cc1OC	514381650	MVLLXWXHGHAFID-UHFFFAOYSA-N	504.939	3.998	0	20	KHAD	
CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2	514404954	OQCAFRKGSDHSQB-RMKNXTFCSA-N	535.670	3.962	0	20	KHAD	
CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1	514292962	QIYJCAHORASYFQ-CTNGQTDRSA-N	513.685	3.914	0	20	KHAD	
CCn1c(SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3	514301403	ZPPZDZQOCNBILT-OAHLLOKOSA-N	537.754	3.726	0	20	KHAD	
CCc1c(C)sc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n(C[C@@H]3CCCO3)c(=O)c12	514375975	YJAMJYGKFBWVKY-INIZCTEOSA-N	501.630	3.645	0	20	KHAD	
COc1ccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	514377269	PRCYVOCXNOBWFQ-HDICACEKSA-N	501.649	3.689	0	20	KHAD	
CCOc1cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc(OCC)c1OCC	514379494	BCSQIONSFNJGNQ-UHFFFAOYSA-N	513.012	3.809	0	20	KHAD	
Cc1ccc(NC(=O)CSc2nnc(NC(=O)CN3C(=O)N[C@]4(C[C@@H](C)CC(C)(C)C4)C3=O)s2)c(C)c1	514401672	BTCVSQMDEFZEPQ-MQNRADLISA-N	544.703	3.961	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NCc1c(C)nn(-c3ccccc3)c1C)n2CC(C)C	514300392	NIHVGKWNLMABNG-UHFFFAOYSA-N	519.650	3.806	0	20	KHAD	
CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(Cc2ccccc2C)CC1	514303798	ZKUNJCKBAYNNLH-JOCHJYFZSA-N	504.494	3.953	0	20	KHAD	
CCOC(=O)c1sc2[nH]c([C@@H](C)Sc3nc4cc(C(=O)OC)ccc4c(=O)n3CCCOC)nc(=O)c2c1C	514374633	FBNMDZLRKFIFRA-CQSZACIVSA-N	572.665	3.856	0	20	KHAD	
CCCOc1c(Cl)cc(C(=O)N(CCCOC)c2c(O)nc(=O)n(CC(C)C)c2N)cc1OCC	514304455	UUELGSVKLADPAS-UHFFFAOYSA-N	511.019	3.711	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cc(C)n([C@H]4CCS(=O)(=O)C4)c3C)n2[C@H](C)COC)c1	514374570	WECNELNZYSXYNG-OFNKIYASSA-N	637.850	3.936	0	20	KHAD	
COc1ccc2c(C)cc3nnc(SCC(=O)N(C4CCCCC4)[C@H]4CCS(=O)(=O)C4)n3c2c1	514375590	SEEYZTCWHKGTCS-SFHVURJKSA-N	502.662	3.640	0	20	KHAD	
O=C(c1cccnc1N1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514384281	MNAHFYFIEFVCBP-UHFFFAOYSA-N	502.946	3.501	0	20	KHAD	
CCOc1cc2c(cc1CNC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)O[C@H](C)C2	514384792	XFHCHORVLQUINK-IEBWSBKVSA-N	538.670	3.583	0	20	KHAD	
CCOc1ccc([C@H](CNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c2c[nH]c3ccccc23)cc1OC	514389206	CBJOSGMLHOXNHJ-FKBYEOEOSA-N	503.599	3.999	0	20	KHAD	
CCOc1ccc([C@H](NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)C(C)C)cc1OCC	514389374	FIVACQKFWAVSAI-GDLZYMKVSA-N	572.728	3.838	0	20	KHAD	
CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(OC)cc1)c1c(O)nc(=O)n(CC(C)C)c1N	514293099	ROBJHWOVDBBHGK-UHFFFAOYSA-N	592.722	3.879	0	20	KHAD	
O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	514383213	DJFIAVKQBQWCFP-UHFFFAOYSA-N	550.081	3.622	0	20	KHAD	
CCCOc1ccc(CN(CCC)C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)cc1OCC	514383886	HIAMWIBLBKLREU-UHFFFAOYSA-N	545.702	3.779	0	20	KHAD	
CC(C)Cn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nnc1-c1ccco1	514291940	KOWSEYORPZDSGZ-UHFFFAOYSA-N	540.067	3.599	0	20	KHAD	
COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)c2)cc1	514380908	YMKGFWJDBKITBW-XCZPVHLTSA-N	598.743	3.899	0	20	KHAD	
COc1ccc(Cl)cc1-c1nc(SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)n[nH]1	514384583	QWOKBUQXYAHRSZ-CQSZACIVSA-N	513.066	3.503	0	20	KHAD	
COc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C	514403877	SDKZTKFTECLTFZ-DENIHFKCSA-N	596.672	3.968	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514290907	ABVWOCWAJDLNCJ-UHFFFAOYSA-N	569.728	3.911	0	20	KHAD	
COc1ccc(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1	514295961	HQBJDNVWLHJQPG-UHFFFAOYSA-N	552.369	3.548	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)nc3n4CCCCC3)CC2)c(C(=O)OC)c1C	514297564	UVADORSCVUKCGT-UHFFFAOYSA-N	588.708	3.745	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)CSc2nnc3n(-c4ccc(C)cc4C)c(=O)c4ccccc4n23)CC1	514374902	HPHFFQNQIALNRT-UHFFFAOYSA-N	519.627	3.544	0	20	KHAD	
COc1ccc(Cl)cc1NC(=O)CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	514380403	JXGAEYWLLRZJSU-UHFFFAOYSA-N	544.095	3.611	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)COC)cc2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514381479	GTYNWPVZMMHETF-NRFANRHFSA-N	607.799	3.751	0	20	KHAD	
CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C	514383524	GDEXSUSGELXTIE-UHFFFAOYSA-N	554.500	3.940	0	20	KHAD	
COc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1S(=O)(=O)N1CCCC1	514291136	CIDZJKQXNTXEOF-UHFFFAOYSA-N	512.657	3.747	0	20	KHAD	
CCOc1cc(-c2nc3c(c(O)nc(=O)n3Cc3ccccc3)n2C[C@@H]2CCCO2)cc(Br)c1OCC(=O)N(C)C	514298234	XUIFMYARRYDSGI-FQEVSTJZSA-N	626.508	3.821	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1ccc(CN2CCOCC2)cc1	514300257	MMCDDQHEPAHLPQ-HSZRJFAPSA-N	511.623	3.826	0	20	KHAD	
O=C(NCc1ccccc1OC(F)F)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1	514390076	XBXHVXQQGSUWLG-UHFFFAOYSA-N	508.465	3.904	0	20	KHAD	
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(-c2cccs2)n1C	514391416	IQJUIJWMEKVJBR-UHFFFAOYSA-N	520.706	3.515	0	20	KHAD	
Cc1cnc(Cl)c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4sc5nccnc5c4N)sc3C2)c1	1815252676	OEVLVOQVLFWWQS-SNVBAGLBSA-N	500.009	3.626	0	20	KHAD	
Cc1c(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCN(C)CC2)sc2nc3n(c(=O)c12)CCCCC3	514296998	QKZMGJJCINUIAA-UHFFFAOYSA-N	598.795	3.672	0	20	KHAD	
COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)CC2=O)cc1OC	514377390	TWRKQJOPCPPXEQ-NRFANRHFSA-N	503.603	3.718	0	20	KHAD	
O=C(COc1ccc(S(=O)(=O)c2ccc(OCC(=O)NC(C3CC3)C3CC3)cc2)cc1)NC(C1CC1)C1CC1	514395140	DDAUWWJHRASCGX-UHFFFAOYSA-N	552.693	3.887	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)nc2cc(Cl)ccc2c1=O	514404272	AQCJSGNUHLQLLQ-NVXWUHKLSA-N	504.008	3.523	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c3cc(Cl)ccc13)CC2)c1snnc1C1CC1	1817835500	XAWVRQPQKOYLIW-LLVKDONJSA-N	500.009	3.941	0	20	KHAD	
O=C1CSc2ncc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3ccccc3Cl)CC4)cc2N1	1824223253	YBRHUJBOAJZOOB-LBPRGKRZSA-N	500.005	3.775	0	20	KHAD	
CCOc1ccc(CCn2c(SCC(=O)N3CCN(C(C)=O)CC3)nnc2-c2ccc(OC)cc2)cc1OCC	514291844	HMWOWJFDFNTHJN-UHFFFAOYSA-N	567.712	3.777	0	20	KHAD	
COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1	514292777	MSGORAUKNAJPBN-XUJKJYMVSA-N	545.727	3.897	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)Nc1cc(Cl)ccc1-n1cncn1)n2CC(C)C	514378719	VQVWIAOBPMULGT-UHFFFAOYSA-N	513.002	3.560	0	20	KHAD	
O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1	514384787	XATKUGURBZFSFQ-HXUWFJFHSA-N	500.646	3.637	0	20	KHAD	
COc1cc(CNC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)cc(OC)c1OC	514386177	GSCHAINIZDKUKN-KRWDZBQOSA-N	559.710	3.950	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)cc1	514299775	ICWKQRBXEDQDBT-KSFYIVLOSA-N	524.481	3.924	0	20	KHAD	
COc1ccc(CCn2c(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc3sc4c(c3c2=O)CCCC4)cc1OC	514375546	RVYHLDSRCBCCHD-UHFFFAOYSA-N	642.825	3.695	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(NC(=O)C2CCN(S(=O)(=O)CC)CC2)c1	514385732	SMHKWINJHXKTJK-UHFFFAOYSA-N	541.667	3.649	0	20	KHAD	
CCCCCn1c(SCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCC3	514391545	MIWGQUILQMJUOA-INIZCTEOSA-N	549.744	3.732	0	20	KHAD	
COc1cccc(NC(=O)[C@@H](Sc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)c2ccccc2)c1	514392880	GJZBMNJXFPXMCS-PKTZIBPZSA-N	509.632	3.774	0	20	KHAD	
CC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc2C[C@@H]1C	514393534	DRKYRTZAUTZSAH-ZDUSSCGKSA-N	502.946	3.562	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3nnsc3C3CC3)sc2C1)c1cn2ccc(Cl)cc2n1	1817708537	VFWLHJBDRXWREU-LBPRGKRZSA-N	500.009	3.713	0	20	KHAD	
CCCCn1c(CCC(=O)N(CC)Cc2nc(O)c3ccccc3n2)nc2cc(S(=O)(=O)N(C)C)ccc21	514297161	XNEVXXPIDHAMPI-UHFFFAOYSA-N	538.674	3.717	0	20	KHAD	
O=C(CN1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1C(F)(F)F	514299293	JZGFLWZZVNBBFY-UHFFFAOYSA-N	510.944	3.652	0	20	KHAD	
CCn1c(SCC(=O)c2ccc(CNC(C)=O)s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514299380	DPLNVVKICDTPJY-UHFFFAOYSA-N	520.702	3.903	0	20	KHAD	
COc1ccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	514377270	PRCYVOCXNOBWFQ-QZTJIDSGSA-N	501.649	3.689	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1S(=O)(=O)N1CCOCC1	514385632	OPWZSYHBBFNKLP-UHFFFAOYSA-N	536.701	3.767	0	20	KHAD	
CCC(CC)c1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)s1	514294747	ALGYAPHJDTWHOT-UHFFFAOYSA-N	507.682	3.705	0	20	KHAD	
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1	514296245	IVULZFRPXYSZIW-JOCHJYFZSA-N	574.552	3.524	0	20	KHAD	
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1C	514385457	IDBXRRJZDHUFLC-UHFFFAOYSA-N	521.705	3.717	0	20	KHAD	
CCCCn1c(N)c(N(C(=O)CSc2nnc(-c3cccs3)n2CC)C2CCCC2)c(O)nc1=O	514294925	DKPSXWWTKNNLIR-UHFFFAOYSA-N	517.681	3.739	0	20	KHAD	
O=C(CN1CCN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1)Nc1ccccc1Cl	514300590	ZGSOKQPDSVKAHM-UHFFFAOYSA-N	573.930	3.830	0	20	KHAD	
CCCn1c(CCC(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514394562	YPGQHANYQSAOEO-WOJBJXKFSA-N	574.773	3.868	0	20	KHAD	
CCn1c(CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514402823	FQMDBXQQXHYYTK-UHFFFAOYSA-N	537.608	3.607	0	20	KHAD	
CC(=O)Nc1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc1Cl	514405237	SRPISDKNHZTOCG-UHFFFAOYSA-N	518.039	3.931	0	20	KHAD	
C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1	514291842	IACDPCJHOQHADL-WMZHIEFXSA-N	590.772	3.578	0	20	KHAD	
CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	514295829	LDORBPPWFPIGOP-UHFFFAOYSA-N	516.538	3.705	0	20	KHAD	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3c(C(=O)N4CCOCC4)oc4ccccc34)c2)C1	514302748	RXSWLFHGNDGLAF-KDURUIRLSA-N	525.627	3.824	0	20	KHAD	
CC[C@@H](C)Cc1c(C)sc2nc(S[C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc(O)c12	514389136	ZUUBELQKUGYCRW-HIFRSBDPSA-N	522.718	3.781	0	20	KHAD	
CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(CCC(N)=O)n3C[C@H]3CCCO3)ccc21	514394770	SHHMRZMPKPTQGY-GOSISDBHSA-N	506.632	3.734	0	20	KHAD	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c1	514387118	CBSRKVKUFHGFTI-UHFFFAOYSA-N	583.707	3.813	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2nnc(S[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)n2c1	514391584	NBZUUOBAIWLACZ-ZDUSSCGKSA-N	501.556	3.898	0	20	KHAD	
CC(C)[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1ccc2c(c1)OCCO2	514299120	AIGNRWOJYIVNEU-NDEPHWFRSA-N	540.686	3.965	0	20	KHAD	
CCOc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1	514299347	MAVWARUGLJTGNK-UHFFFAOYSA-N	510.031	3.627	0	20	KHAD	
CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(OC)c(OC)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514302975	HQVHDEOQWWPELM-UHFFFAOYSA-N	622.748	3.888	0	20	KHAD	
CCCCCn1c(S[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3	514388239	MEOQISUSMHRDIA-HZPDHXFCSA-N	511.735	3.653	0	20	KHAD	
COCCN(C(=O)CCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1c(O)nc(=O)n(CC(C)C)c1N	514299837	JPKKMLRYLVDBAP-XMMPIXPASA-N	556.063	3.506	0	20	KHAD	
CCCCN(C(=O)CSc1nnc([C@H](CC)N(C)C)n1CCCC)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514375700	UGMRDPAYUBZGBU-NRFANRHFSA-N	570.764	3.909	0	20	KHAD	
COc1ccc(NC(=O)CSCCOc2ccccc2C(C)=O)cc1S(=O)(=O)N1CCCCC1	514380924	RNZDMCVGIUNTEN-UHFFFAOYSA-N	506.646	3.823	0	20	KHAD	
O=C(NCc1ccccc1CN1CCCC1)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2)c[nH]1	514393589	GPKFAZNUCAQOPG-UHFFFAOYSA-N	535.714	3.615	0	20	KHAD	
COc1cc(Cl)c(C)cc1-n1c(S[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)nc2ccccc2c1=O	514402718	RLCKVMCXVGEXIP-OPAMFIHVSA-N	550.102	3.776	0	20	KHAD	
O=C1CSc2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cnccc3Cl)CC4)ccc2N1	1816972312	AELYXHMQUKWLFI-LBPRGKRZSA-N	500.005	3.775	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)c12	514383605	HMKVWTSTXOYSTQ-SFHVURJKSA-N	552.682	3.675	0	20	KHAD	
CCCn1c(CCC(=O)NCc2cc(OC)c(OC)c(OC)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514400975	HLSLQSLWWUMJAT-UHFFFAOYSA-N	544.674	3.506	0	20	KHAD	
O=C(CSc1nc(O)c2c3c(sc2n1)CCCC3)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514293396	RCIJOGDPUZQHMH-UHFFFAOYSA-N	589.765	3.628	0	20	KHAD	
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1	514293725	WYNIQRGWUQAZJV-VQIMIIECSA-N	538.066	3.925	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514378752	WPSFSBQTPSDPKW-UHFFFAOYSA-N	589.658	3.928	0	20	KHAD	
CNc1nsnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)nc4ccccc34)sc2C1	1818280019	PBNAUXYQSBADGG-SNVBAGLBSA-N	500.009	3.778	0	20	KHAD	
CCCCCNC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@@H](C)COC	514302190	MBTXODICHHABBF-RBUKOAKNSA-N	525.741	3.970	0	20	KHAD	
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1CC	514374449	BWATUWMUOIUOMM-HXUWFJFHSA-N	584.768	3.890	0	20	KHAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C2CCCC2)c(O)nc1=O	514386663	XFYMZYRMUFCHPC-UHFFFAOYSA-N	546.719	3.980	0	20	KHAD	
COC(=O)c1ccc(-c2csc(NC(=O)[C@H](CCSC)N3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)cc1	514387019	CNQSSVWSAMYUCJ-SCTDSRPQSA-N	501.630	3.832	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(C(C)C)n1Cc1ccco1	514390871	ACOUQIGXWKKJMV-UHFFFAOYSA-N	533.676	3.957	0	20	KHAD	
CCCn1c(CCC(=O)Nc2cc(OC)c(OC)c(OC)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514401925	BXCGICVFZZCQEX-UHFFFAOYSA-N	530.647	3.828	0	20	KHAD	
O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NS(=O)(=O)c1cccc(-n2cnnn2)c1	916764214	GMWDQRIFZPUMEU-QFIPXVFZSA-N	500.005	3.643	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)cc1	514296861	OWFMWNIGGJJHOK-KRWDZBQOSA-N	517.677	3.584	0	20	KHAD	
CCc1ccc(OCc2nnc(SCC(=O)Nc3nc(CC(=O)OC)cs3)n2CC(C)C)cc1	514374019	DKNZCSBHYBDVCK-UHFFFAOYSA-N	503.650	3.978	0	20	KHAD	
Cc1ccc(Cn2c(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)cc1	514374710	FPGKFXATYIJEQS-OAQYLSRUSA-N	513.685	3.517	0	20	KHAD	
O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514385076	ZJXIJXDBBLQYHW-NHCUHLMSSA-N	561.129	3.934	0	20	KHAD	
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)CC2	514386884	HLGISQCAQXLTAI-QDPGVEIFSA-N	512.672	3.610	0	20	KHAD	
CCCn1c(CCC(=O)N[C@@H](CC(=O)OC(C)C)c2ccc(C)cc2)nc2cc(S(N)(=O)=O)ccc21	514389404	GALMRVRRDQYJRF-NRFANRHFSA-N	514.648	3.534	0	20	KHAD	
C[C@H](Sc1nc(C2CC2)nc2c1c(O)nc(=O)n2C1CC1)C(=O)N(C)Cc1nc2ccccc2s1	514395325	ICVBUYUKLHAMSS-LBPRGKRZSA-N	508.629	3.853	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3cc(Cl)ccn13)CC2)c1snnc1C1CC1	1817833778	BBGGSEGORDIJGW-GFCCVEGCSA-N	500.009	3.713	0	20	KHAD	
Cc1ccc(NC(=O)CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)cc1S(=O)(=O)N(C)C	514293846	WWDXJHLXLCPPNW-UHFFFAOYSA-N	542.731	3.602	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)CCN(Cc2ccccc2)S(=O)(=O)c2c(Cl)cccc2Cl)c(O)nc1=O	514381466	GGWHBTYUQZGAEF-UHFFFAOYSA-N	626.563	3.899	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1	514386963	AURMZBUUQZLKBR-NRFANRHFSA-N	507.653	3.660	0	20	KHAD	
Cn1ccnc1[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1cccc(F)c1	514390438	JYTBPGHPGZKKBD-VWLOTQADSA-N	510.635	3.745	0	20	KHAD	
CCCCCn1c(CCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)nc2c1c(O)nc(=O)n2CCCC	514391022	XRMWWJGMCLGWHG-QHCPKHFHSA-N	537.640	4.000	0	20	KHAD	
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1	514400817	BIEMPWKYBILEKZ-LJQANCHMSA-N	566.479	3.656	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2nc(-c3ccc[nH]3)cs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401183	ORXDOOQWBLQHJT-UHFFFAOYSA-N	542.687	3.880	0	20	KHAD	
CCn1c(SC[C@@H](O)COc2ccc(C)cc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514379647	BSHSMMMEINVIGN-FQEVSTJZSA-N	502.662	3.590	0	20	KHAD	
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c(OC)c1OC	514380864	WBXXZFUSZPRXMP-UHFFFAOYSA-N	556.481	3.897	0	20	KHAD	
CCOC(=O)c1c(C2CC2)csc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	514381581	JVBMTHCAQXXJAR-UHFFFAOYSA-N	522.645	3.859	0	20	KHAD	
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)ccc2OC)cc1	514390620	QTKBJVZFPRMAMY-LJQANCHMSA-N	592.696	3.539	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2cc(F)cc(F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514405472	WBSRZOXRGOUBEC-UHFFFAOYSA-N	506.575	3.707	0	20	KHAD	
O=C(CSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F)N1CCN(C(=O)c2ccco2)CC1	514291307	DUFWYXUPZJSFAI-UHFFFAOYSA-N	562.618	3.942	0	20	KHAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)n3C[C@H]3CCCO3)cc2)C[C@@H](C)O1	514374963	ITBSOZLDQQXCOD-SELNLUPBSA-N	589.715	3.792	0	20	KHAD	
Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514376302	HALCDPTUPFJJIA-UHFFFAOYSA-N	510.616	3.914	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(O)nc1=O	514378592	ICUJUNBXQAIALT-UHFFFAOYSA-N	555.701	3.574	0	20	KHAD	
CCCn1c(CCC(=O)Nc2cc(NC(C)=O)ccc2OC)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514405810	ZREXCYWMBDAMPB-UHFFFAOYSA-N	527.647	3.769	0	20	KHAD	
CCOC(=O)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)s1	514296116	LZZRCPCBDXTFTG-UHFFFAOYSA-N	526.706	3.530	0	20	KHAD	
CCn1c(CCC(=O)N(CCC2=CCCCC2)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514297062	WICVBHJRWVIVEQ-UHFFFAOYSA-N	689.839	3.826	0	20	KHAD	
COc1ccc(NC(=O)CSc2nncn2-c2ccc(C)cc2C)cc1S(=O)(=O)N1CCCCC1	514374807	HTFLXDICJBOFIG-UHFFFAOYSA-N	515.661	3.798	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(-c2ccncc2)n1CC	514386180	GTTZUUQBMUHINX-UHFFFAOYSA-N	530.676	3.664	0	20	KHAD	
CCCc1nn(C)c2c(O)nc(-c3cc(S(=O)(=O)N4CCN(S(=O)(=O)c5ccc(OCC)c(-c6nc7c(CCC)nn(C)c7c(=O)[nH]6)c5)CC4)ccc3OCC)nc12	94313223	OPIJAYPVGDPKAA-UHFFFAOYSA-N	834.982	3.771	0	20	KHAD	in-vitro
O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(Br)ccc1I	392401748	RYZLPYKSBADVSP-OAHLLOKOSA-N	521.218	3.919	0	20	KHAD	
O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514293798	WEEGRKIYPXAPIA-UHFFFAOYSA-N	639.848	3.664	0	20	KHAD	
CCCCN(C(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)c1c(O)nc(=O)n(CCCC)c1N	514295544	IJPTXXNEEMLMJE-UHFFFAOYSA-N	561.749	3.799	0	20	KHAD	
Cc1noc(C)c1CSc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	514300323	OSDMQOBPOXSPQC-UHFFFAOYSA-N	513.066	3.840	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1	514387957	KIVJOHPDAJSOPF-SJLPKXTDSA-N	520.076	3.614	0	20	KHAD	
CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1	514395290	HIYHQMMQPFAWAE-GOSISDBHSA-N	504.678	3.858	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NCc1cc(Cl)c3c(c1)OCCCO3)n2CC(C)C	514405105	OZMHDRCXOYBXPY-UHFFFAOYSA-N	532.041	3.818	0	20	KHAD	
O=C(CSc1nccn1-c1cccc(Cl)c1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O	10380372	RRNSURXYUGUDDA-WQRHYEAKSA-N	500.005	3.866	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)CC1	514290780	BIMIPWUVBASGEL-SFHVURJKSA-N	536.720	3.513	0	20	KHAD	
COC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	514295848	LINRJEUGUKPYNJ-LJQANCHMSA-N	588.318	3.513	0	20	KHAD	
C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2	514375082	KLCLRUCSAOMWIU-HYBUGGRVSA-N	613.762	3.530	0	20	KHAD	
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1	514377899	NUISQTZUYAULQZ-UHFFFAOYSA-N	547.621	3.774	0	20	KHAD	
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C2CCCCC2)cc1	514404534	GSQULLHUIIUPBH-UHFFFAOYSA-N	535.091	3.654	0	20	KHAD	
Cc1nnsc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)sc2C1	1821578622	IHLCVWAVSNXRPB-NSHDSACASA-N	500.009	3.886	0	20	KHAD	
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)N2CCCC2)cc1	514299290	JXLATHXBOOLJFG-HHHXNRCGSA-N	511.688	3.538	0	20	KHAD	
CCn1c(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514380382	JEEOHARSQQVOPE-UHFFFAOYSA-N	549.744	3.703	0	20	KHAD	
CC[C@@H](C)Cc1c(C)sc2nc(S[C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc(O)c12	514389137	ZUUBELQKUGYCRW-UKRRQHHQSA-N	522.718	3.781	0	20	KHAD	
COC(=O)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@@](C)(OC(=O)[C@@H](C[C@H]1CCNC1=O)NC(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@@H]1CCNC1=O	1911530816	QZTPJSZXBIOROJ-UPDKAGBKSA-N	877.090	3.821	0	20	KHAD	
C[C@H]1CCCCN1C(=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514291165	DERRBKPHFNDGOC-SFHVURJKSA-N	523.577	3.867	0	20	KHAD	
COc1cc(-c2nnc(SCC(=O)c3cc(C)n([C@H]4CCS(=O)(=O)C4)c3C)o2)cc(OC)c1OC	514375271	OKMGLDJGFBCMJU-INIZCTEOSA-N	521.617	3.515	0	20	KHAD	
COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c1	514383535	KVRSECMZFHGZKV-JPYJTQIMSA-N	524.643	3.971	0	20	KHAD	
O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1	514384786	XATKUGURBZFSFQ-FQEVSTJZSA-N	500.646	3.637	0	20	KHAD	
NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)c1	480000747	GIZZVHCJKRKXOU-UHFFFAOYSA-N	500.005	3.966	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1CCN1CCOCC1)N(C)C	514374463	CCUUEOCMMBZBGY-JOCHJYFZSA-N	554.765	3.837	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1)c1c(O)nc(=O)n(CCC)c1N	514375421	PAJRTIRTGKFNJK-UHFFFAOYSA-N	575.139	3.696	0	20	KHAD	
COCCN(C(=O)CSc1nc2ccccc2n1CCc1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N	514375872	XZFAPAQFOPNNLT-UHFFFAOYSA-N	550.685	3.551	0	20	KHAD	
C[C@@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	514383194	IBIKPDKRDVQFEU-LJQANCHMSA-N	574.704	3.537	0	20	KHAD	
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(N3CCCCC3)n2Cc2ccco2)cc1	514393197	QYFRFBOQFBDYHV-GOSISDBHSA-N	532.692	3.716	0	20	KHAD	
CCCNC(=O)CSc1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)s1	514404386	FPEPFKSOSZVYFS-INIZCTEOSA-N	508.691	3.774	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cc(OC)c(OC)cc2OC)c1	514291031	BHBZOHPHHBSCSS-UHFFFAOYSA-N	505.637	3.986	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)Nc1nc2ccccc2n1CC)c1c(O)nc(=O)n(CCCC)c1N	514404792	MVMHHJKHVHYUGB-UHFFFAOYSA-N	511.627	3.643	0	20	KHAD	
CCOc1ccc(-n2c(S[C@H](C)C(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)nnc2-c2cccc(OC)c2)cc1	514405206	RURICSNINOTALH-WIYYLYMNSA-N	544.699	3.858	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)c(O)nc1=O	514296977	QCWYJXAJGCHRSR-UHFFFAOYSA-N	634.800	3.701	0	20	KHAD	
CCCCCN(C(=O)CSc1nc2ccccc2c(=O)n1C(C)C)c1c(O)nc(=O)n(CCCC)c1N	514376630	OVTOIHIHSVQVJF-UHFFFAOYSA-N	528.679	3.938	0	20	KHAD	
CSCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CC(=O)Nc1cccc(C)c1C	514380463	LNILCLYFNDZEQX-HXUWFJFHSA-N	542.521	3.563	0	20	KHAD	
CCc1ccc(OCc2nnc(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)n2CC(C)C)cc1	514292414	KTTPAVIXYJRFTM-NRFANRHFSA-N	522.737	3.839	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	514293213	SNOQCVLAPALANR-JOCHJYFZSA-N	575.131	3.842	0	20	KHAD	
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)N1CCN(C(=O)c2cccs2)CC1	514299048	CRGLQFOJOIRVAY-SFHVURJKSA-N	536.683	3.744	0	20	KHAD	
Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c(C)c1	514393536	DTHYAUFDUIUJRS-SFHVURJKSA-N	522.465	3.530	0	20	KHAD	
O=C(NCCCN1CCCCC1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	514401109	MLYMXEWKJLGVFG-UHFFFAOYSA-N	551.345	3.605	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3n[nH]c4cc(Cl)ccc34)sc2C1)c1nnsc1C1CC1	1819275365	NIIVQRLPOIHCAZ-NSHDSACASA-N	500.009	3.941	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)ccc1C	514293346	POCWMNCBHSAKEB-UHFFFAOYSA-N	510.454	3.807	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	514296229	KWMRNDSLSYLZDE-FQEVSTJZSA-N	550.077	3.639	0	20	KHAD	
Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)cc1S(=O)(=O)N1CCOCC1	514299210	CRSFQICJERUMMR-MRXNPFEDSA-N	533.701	3.790	0	20	KHAD	
COC(=O)c1cc(NC(=O)[C@H](C)Sc2nnc(N3CCC(C)CC3)n2C2CC2)cc(C(=O)OC)c1	514395796	UKCWJEMVBNOEDV-HNNXBMFYSA-N	501.609	3.542	0	20	KHAD	
Cc1ccc(NC(=O)CSc2nnc(NC(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)s2)c(C)c1	514401676	BTCVSQMDEFZEPQ-SGANQWHYSA-N	544.703	3.961	0	20	KHAD	
CSCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CC(=O)Nc1cccc(C)c1C	514380462	LNILCLYFNDZEQX-FQEVSTJZSA-N	542.521	3.563	0	20	KHAD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3c(C(=O)N4CCOCC4)oc4ccccc34)cc2)C1	514387124	CNTWDTUEMIKAHG-SFHVURJKSA-N	511.600	3.578	0	20	KHAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1	514401543	YOFRQIHAUJCHOP-UHFFFAOYSA-N	578.510	3.824	0	20	KHAD	
Cn1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4nc(-c5ccccc5)ns4)sc3C2)c1Cl	1815839137	GLALMRSUSCUGNY-LBPRGKRZSA-N	500.009	3.588	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)CSc2nc3ccc(Br)cc3c(=O)n2CC(C)C)CC1	514381770	RLGYEHFHNKQDBH-UHFFFAOYSA-N	510.454	3.709	0	20	KHAD	
O=C(CSc1nnc(N2CCCCC2)n1C1CC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	514393218	SBIIUXOSQOFOHY-UHFFFAOYSA-N	504.682	3.509	0	20	KHAD	
CCCCn1c(CCC(=O)NCC2(c3ccccc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395833	VBDOQVLJWYCHQK-UHFFFAOYSA-N	524.687	3.638	0	20	KHAD	
CCCCN(C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1c(O)nc(=O)n(CCCC)c1N	499331297	UKFDVBGMGPJPIV-UHFFFAOYSA-N	500.003	3.890	0	20	KHAD	
Cc1sc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)n(C)c(=O)c2c1C	514293915	UWLUXKHXKLGYBQ-UHFFFAOYSA-N	506.675	3.517	0	20	KHAD	
CCCn1c(CCC(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514384959	YBPVZPAXYHQILD-UHFFFAOYSA-N	571.719	3.656	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@H]3c3cc(OC)ccc3OC)nnc12	514385656	PQNHILKJOXPSIK-JOCHJYFZSA-N	551.669	3.944	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)CCOc1ccccc1Cl)n2C	514390293	FELYPOCXQMHTGD-UHFFFAOYSA-N	507.056	3.727	0	20	KHAD	
COc1cccc(NC(=O)[C@@H](Sc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)c2ccccc2)c1	514392879	GJZBMNJXFPXMCS-GOTSBHOMSA-N	509.632	3.774	0	20	KHAD	
Nc1ncc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(-c4ccc(Cl)cc4)[nH]n2)CC3)s1	1815193528	YYLMZRBDXADNMG-GFCCVEGCSA-N	500.009	3.765	0	20	KHAD	
COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(CN3CCCCC3)n1-c1ccccc1)CC2	514386676	XZACHCJSBVPKQW-UHFFFAOYSA-N	507.660	3.947	0	20	KHAD	
Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1	514403220	KIYCFAGLZZMGDH-HNNXBMFYSA-N	506.053	3.994	0	20	KHAD	
O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514291420	FXMXIPKWYZVZFN-UHFFFAOYSA-N	582.752	3.556	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(Nc2ccccc2)s1)c1c(O)nc(=O)n(CC(C)C)c1N	514293829	YUVSNOJGLABOCS-UHFFFAOYSA-N	503.654	3.708	0	20	KHAD	
CC(C)COC[C@H](O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@@H](C)c1ccccc1	514295003	GZWGOSDGRYPPJT-URXFXBBRSA-N	560.742	3.701	0	20	KHAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)c(O)nc1=O	514297460	WFSKJHIZMVARKA-UHFFFAOYSA-N	561.639	3.829	0	20	KHAD	
CCCCCn1c(CCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)nc2c1c(O)nc(=O)n2CCCC	514302410	DSZWXKDDPCODAI-UHFFFAOYSA-N	508.623	3.752	0	20	KHAD	
C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2)C(=O)NC1CCCCC1	514374361	APFOJSWXYGAZEN-FQEVSTJZSA-N	613.762	3.673	0	20	KHAD	
Cc1occc1-c1nnc(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1	514384839	ZIVXEJZWABMWEM-NRFANRHFSA-N	514.673	3.945	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3nnsc3C3CC3)sc2C1)c1c[nH]c2nccc-2c1Cl	1817706495	KVAHPOUNKZCEGO-SNVBAGLBSA-N	500.009	3.893	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)NCc2cc(OC)c(OC)cc2OC)n1-c1ccc(OC)cc1)N(C)C	514301684	BZIXZZLJTKPNGX-FQEVSTJZSA-N	529.663	3.723	0	20	KHAD	
CC[C@@H](c1nnc(SCc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)n1-c1ccc(OC)cc1)N(C)C	514375994	YYXAKBGVRVMJCI-INIZCTEOSA-N	528.660	3.974	0	20	KHAD	
CCOc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2cccc(C)c2)cc1S(=O)(=O)N(CC)CC	514377701	FOTJOMSTGSTAHW-OAQYLSRUSA-N	521.705	3.914	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1	514387955	KIVJOHPDAJSOPF-AEFFLSMTSA-N	520.076	3.614	0	20	KHAD	
Cc1sc2nc(CS[C@@H](C)C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)nc(O)c2c1C	514377292	QFGWOOCLWJLBAZ-LPHOPBHVSA-N	504.653	3.964	0	20	KHAD	
COc1ccc(C(=O)N(CCC2=CCCCC2)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1S(=O)(=O)NC(C)C	514405173	RXEHMXANBDEPBK-UHFFFAOYSA-N	595.722	3.812	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1	514292116	KTGOGRMFQLEVLR-UHFFFAOYSA-N	553.703	3.598	0	20	KHAD	
CCCCn1c(CCC(=O)N2CCc3cc(OC)c(OC)cc3C2)nc2cc(S(=O)(=O)N(C)C)ccc21	514296148	PUQZVNKQDRPXNB-UHFFFAOYSA-N	528.675	3.621	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc4cc(S(=O)(=O)N(C)C)ccc4n3CC)o2)c1	514374815	HXYOTHGWSXAETC-UHFFFAOYSA-N	578.742	3.679	0	20	KHAD	
C[C@@H](SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1nc2ccccc2[nH]1	514376498	NFOXQAXRHIHKIS-GOSISDBHSA-N	529.688	3.617	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CCc2ccc(S(=O)(=O)N(CC)CC)cc2)c(O)nc1=O	514404565	IKQSYZIKDYCETD-UHFFFAOYSA-N	555.701	3.528	0	20	KHAD	
Cn1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5c(Cl)cncc5s4)sc3C2)c1=O	1815841748	AXAYTWCAIBYBPM-LLVKDONJSA-N	500.005	3.645	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2[C@@H](C)COC)c1	514290922	BEFAKKPZOAWGSZ-SFHVURJKSA-N	574.729	3.872	0	20	KHAD	
O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)Nc1cccc(S(=O)(=O)N2CCCC2)c1	514291503	GXKWUFIZPNALRX-GOSISDBHSA-N	533.701	3.701	0	20	KHAD	
COc1ccc(CN2CCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)CC2)cc1F	514299054	CTQYAEVUTMMEIX-UHFFFAOYSA-N	543.583	3.598	0	20	KHAD	
CCN(CC)CCn1c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)nc2ccccc21	514382116	GVJZEYAPWGXLCY-HXUWFJFHSA-N	549.701	3.921	0	20	KHAD	
COC(=O)CCCCCn1c(SCc2cccc(S(=O)(=O)N(C)C)c2)nc2ccccc2c1=O	514392627	ZQVVFJJUMSCDFK-UHFFFAOYSA-N	503.646	3.673	0	20	KHAD	
COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CCCN(C(C)=O)C1	514404345	DMFYZXVTDVXQKV-FQEVSTJZSA-N	515.632	3.859	0	20	KHAD	
C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2	514375083	KLCLRUCSAOMWIU-RDPSFJRHSA-N	613.762	3.530	0	20	KHAD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1	514383958	OCJWQYISCROWBA-UHFFFAOYSA-N	533.519	3.872	0	20	KHAD	
CCCCN(C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)c1c(O)nc(=O)n(CCC)c1N	514402701	KZLIWUHTHRTDOE-UHFFFAOYSA-N	510.591	3.984	0	20	KHAD	
COc1cc(OC)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1Cl	514300337	OZQZTYGEHJBXRK-CQSZACIVSA-N	504.996	3.900	0	20	KHAD	
Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CCN(Cc3ccc(Br)s3)CC2)c(=O)n(-c2ccccc2)n1C	514300550	YMZKHAQOQBXSHL-GOSISDBHSA-N	592.585	3.713	0	20	KHAD	
COc1cc(CNC(=O)CSc2nnc(N3CCC[C@@H](C)C3)n2Cc2ccco2)cc(OC)c1OC	514394709	ZHSXCJILAUUFPJ-QGZVFWFLSA-N	515.636	3.590	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1c(O)nc(=O)n(CC(C)C)c1N	514293801	SVKGIQCSRFWEAS-HXUWFJFHSA-N	573.695	3.689	0	20	KHAD	
O=C(Nc1ccc2c(c1)nc1n2CCCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	514296044	IYCGOLHRFTZMGD-UHFFFAOYSA-N	510.616	3.573	0	20	KHAD	
O=C(CCSCc1nc(O)c2c3c(sc2n1)CCC3)NCc1nnc2ccc(C(F)(F)F)cn12	514390672	SODGKSVJJOZUAH-UHFFFAOYSA-N	508.551	3.887	0	20	KHAD	
CCCn1c(CCC(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514394560	YPGQHANYQSAOEO-BGYRXZFFSA-N	574.773	3.868	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2ccccc2c1=O	514293512	SGKMZVUHBHBEKF-LJQANCHMSA-N	544.699	3.727	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514375756	WOJYBJOROQBANY-HXUWFJFHSA-N	595.751	3.860	0	20	KHAD	
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	514377422	UWMUVABDBKATPS-OAQYLSRUSA-N	615.388	3.630	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)CCOc3cccc(Cl)c3)c12	514388231	RKMLMRFEJRHMBK-SFHVURJKSA-N	503.024	3.781	0	20	KHAD	
COc1ccc(-c2noc(CN3CCN(C(=O)[C@H](CCSC)NC(=O)c4ccccc4Cl)CC3)n2)cc1	514394303	SOCOMVYVCVUQFZ-QFIPXVFZSA-N	544.077	3.595	0	20	KHAD	
O=C(c1cnc2snnc2c1)N1CCO[C@@]2(CCN(C(=O)c3cc4c(Cl)cccc4s3)C2)C1	1778045613	XRMRSWPVUMOHKE-JOCHJYFZSA-N	500.005	3.712	0	20	KHAD	
CCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N(CC)CC	514300993	UUPOPKAAJSHTJL-HXUWFJFHSA-N	589.740	3.658	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)CC2)cc1	514378801	XONQGARLQGGNJO-XMMPIXPASA-N	517.717	3.941	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)c1	514299670	MZUZCFSHALBRQA-UHFFFAOYSA-N	567.730	3.746	0	20	KHAD	
CCOc1ccc(OCc2nnc(SCC(=O)N(CCOC)[C@H]3CCS(=O)(=O)C3)n2-c2ccc(Cl)cc2)cc1	514302203	MONFWBNPWLBSIQ-NRFANRHFSA-N	595.143	3.653	0	20	KHAD	
COc1ccc(C(=O)N(CCC2=CCCCC2)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1S(=O)(=O)N1CCCC1	514378622	FYCLOBQONJTVAP-UHFFFAOYSA-N	607.733	3.910	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)CC2)c(C(=O)OC)c1C	514384752	VBSGBEUORJAZKW-FQEVSTJZSA-N	569.101	3.951	0	20	KHAD	
CC(C)CCn1c(S[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc2c1=O	514388023	LYTIHERVONYICR-MRXNPFEDSA-N	537.107	3.583	0	20	KHAD	
CCCN(C(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	514395079	BUHVTUJLVHFCNF-QUCCMNQESA-N	502.662	3.801	0	20	KHAD	
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1CCCN(C)C)CCCC3	514404755	LPMMUMODGOXYRN-MRXNPFEDSA-N	502.710	3.758	0	20	KHAD	
CN1CCN([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c2cccs2)CC1	514292282	JYFPSPZPPBECFA-FQEVSTJZSA-N	545.558	3.561	0	20	KHAD	
CC(C)CN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514295153	HHGDZOBWEWNHKF-NRFANRHFSA-N	538.048	3.774	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2CC)ccc1C	514374354	AJZGQPCPCBBYJG-QGZVFWFLSA-N	502.666	3.818	0	20	KHAD	
CCCCn1c(S[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376750	QQERVDSQHPIQJS-NRFANRHFSA-N	587.768	3.710	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@H](O)COc3ccc(F)cc3)n2[C@H](C)COC)c1	514377259	PEJMNTVCSNAPRD-WIYYLYMNSA-N	552.694	3.854	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc(O)c3c(C[C@H](C)CC)c(C)sc3n2)c(O)nc1=O	514386715	ZLCJDNLHKIECIN-CQSZACIVSA-N	564.734	3.710	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1	514294865	CPQATTXZWQRJSA-NRFANRHFSA-N	535.732	3.612	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1	514299368	DJBGYTCLBLGBFB-GOSISDBHSA-N	545.687	3.723	0	20	KHAD	
CC[C@@H](C)[C@@H](NC(=O)CN(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C)C(=O)OC	514386938	ACTLINKDUKAWEL-KWMCUTETSA-N	524.662	3.503	0	20	KHAD	
CCCN(C(=O)[C@H](C)Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)[C@H]1CCS(=O)(=O)C1	514395901	WQXIMYZOGBOJBG-RDJZCZTQSA-N	500.086	3.612	0	20	KHAD	
CC(C)NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1	514401931	CFXMYXTXJZWOOI-FQEVSTJZSA-N	533.651	3.681	0	20	KHAD	
O=C1[C@H]2CCC[C@H]1CC(C(=O)N1CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC1)C2	514403707	ZJKDIKHXMHPVTA-KBPBESRZSA-N	526.499	3.953	0	20	KHAD	
COc1ccc(NC(=O)CSc2nnc(CN3CCCC3)n2Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1	514374941	IKPHKJPCYZGZKP-UHFFFAOYSA-N	584.768	3.836	0	20	KHAD	
CCn1c(CCC(=O)N(C)Cc2ccc(Br)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514377533	ZCVAVSXCKFSVPO-UHFFFAOYSA-N	507.454	3.660	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)[C@H](C)c1ccc(-n3cncn3)cc1)n2CC	514384885	VNHPIDUGTGZULA-HXUWFJFHSA-N	537.690	3.820	0	20	KHAD	
CCCn1c(CS[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395045	BBXYPKZGEIHCEJ-KNQAVFIVSA-N	558.726	3.729	0	20	KHAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)CC1	514402029	JUYNYJRMNJCYAY-UHFFFAOYSA-N	552.722	3.508	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1nc3ccc(S(C)(=O)=O)cc3s1)n2CC	514405143	QRSVOOIBWBEGLT-UHFFFAOYSA-N	563.727	3.671	0	20	KHAD	
COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O	514405375	UPSDYTNQEHQPML-KDURUIRLSA-N	564.458	3.762	0	20	KHAD	
CCOC(=O)c1sc(N(Cc2ccc(F)cc2)C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1C	514299439	GGFZEQSVOVZBPD-UHFFFAOYSA-N	575.684	3.954	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2cc(Cl)ccc2C)c(C(=O)OC)c1C	514380372	IUIGYOSPDBLOBZ-AWEZNQCLSA-N	549.092	3.630	0	20	KHAD	
CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)n1CCN1CCOCC1)N(C)C	514387639	GXQVCSPFOTWXPU-YLJYHZDGSA-N	539.544	3.813	0	20	KHAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)N(CC)Cc3ccc4c(c3)OCO4)nc(=O)c2c1C	514403061	QFYLTLGBWXEHHS-UHFFFAOYSA-N	517.629	3.870	0	20	KHAD	
CCOc1ccc(NC(=O)CS(=O)(=O)Cc2cc3c(cc2Br)OCCO3)cc1OCC	514403479	ZBWJJWZKGVNRKF-UHFFFAOYSA-N	514.394	3.571	0	20	KHAD	
CC[C@H](O)c1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(O)CC	2048528998	XKPLPNZCIVWPTP-IPZQJPLYSA-N	616.715	3.972	0	20	KHAD	
Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)cc12	514297974	YKLRESJAFKUVCG-UHFFFAOYSA-N	581.720	3.564	0	20	KHAD	
CCn1c(SCC(=O)N2CCN(C(=O)CSc3nnc(-c4ccccc4OC)n3CC)CC2)nnc1-c1ccccc1OC	514302934	HKJQBYRPGQVHQN-UHFFFAOYSA-N	636.804	3.816	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)N(CC)Cc1cccc(F)c1)c1c(O)nc(=O)n(CCCC)c1N	514384982	WBJWXSHZHBSMMM-UHFFFAOYSA-N	503.619	3.822	0	20	KHAD	
COc1cc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)N[C@@H](C(C)C)C2=O)ccc1OC(F)F	514387628	LBSGEXOUXBFSRW-YWZLYKJASA-N	506.531	3.612	0	20	KHAD	
COCCCn1c(SC[C@H](O)CO[C@@H]2CCCc3ccccc32)nc2cc(C(=O)OC)ccc2c1=O	514388427	YJDSXBIJVPANEU-HYBUGGRVSA-N	512.628	3.767	0	20	KHAD	
CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1	514389872	PYTDIEJUVCSGEY-FQEVSTJZSA-N	580.736	3.927	0	20	KHAD	
CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(Br)cc1	2048529548	NRUKFQXBVVXJBZ-JXCPCEHSSA-N	555.370	3.735	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514296651	JVQCISSAGSRBDB-UHFFFAOYSA-N	602.783	3.909	0	20	KHAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCN(Cc4ccc(Cl)cc4)CC3)CC2)cc1	514302112	BKFAGDMMKVTYHK-UHFFFAOYSA-N	548.105	3.652	0	20	KHAD	
CCCCn1c(CCC(=O)N(Cc2ccccc2)c2c(O)nc(=O)n(CCOC)c2N)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514381494	HCCMYYPZWFYCJL-UHFFFAOYSA-N	653.806	3.524	0	20	KHAD	
CCn1c(CCC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514391399	IZELQXCUBWMBHN-UHFFFAOYSA-N	567.590	3.626	0	20	KHAD	
COC(=O)c1cc(NC(=O)[C@@H](C)Sc2nnc(N3CCC(C)CC3)n2C2CC2)cc(C(=O)OC)c1	514395797	UKCWJEMVBNOEDV-OAHLLOKOSA-N	501.609	3.542	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccc(Cl)cc3)c3nccn3C)CC2)cc1	514401950	CPEGYGPKVUJQIZ-HSZRJFAPSA-N	517.051	3.779	0	20	KHAD	
Cn1c(=O)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2sccc2Cl)CC3)nc2ccccc21	1818379494	XUSRRBYLXLOWER-LLVKDONJSA-N	500.005	3.645	0	20	KHAD	
CC(=O)c1ccc(NC(=O)CC[C@H](NC(=O)C(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1	1875251711	KQUAHTFWXYRQTE-VWLOTQADSA-N	514.534	3.533	0	20	KHAD	
CCc1cc(O)ccc1-c1ccc2c(-c3nc4c([nH]3)C[C@@H](C(=O)N3CC(N(C)C)C3)N(C(C)C)C4)n[nH]c2c1	2048541445	VQIIUJSNIKEMCK-MHZLTWQESA-N	527.673	3.796	0	20	KHAD	
CO[C@H]1C[C@@H](N(C(=O)CCCc2ccc(Cl)nn2)[C@H](C(=O)NC(C)C)c2ccc3c(n2)CCC3)C1	2088606445	PDUMCJRETYIQMH-DFIYOIEZSA-N	500.043	3.608	0	20	KHAD	
CCCn1c(N)c(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2C2CCCCC2)c(O)nc1=O	514290900	AWEVCOWQWPIFBH-UHFFFAOYSA-N	528.635	3.697	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O	514294903	CWSJDMAQMHGYLZ-JOCHJYFZSA-N	545.683	3.616	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cccc(I)c3)c12	514300183	UPOIIZPIXCTXJK-INIZCTEOSA-N	536.395	3.834	0	20	KHAD	
COCCCn1c(O)nnc1SCC(=O)Nc1ccc(Oc2ccc(NC(=O)CSc3nnc(O)n3CCCOC)cc2)cc1	514376641	PEKOEUVSQJLJLT-UHFFFAOYSA-N	658.763	3.608	0	20	KHAD	
Cc1ccc(NC(=O)c2sc3[nH]c(CSc4nnc(C[C@@H]5CCS(=O)(=O)C5)n4C)nc(=O)c3c2C)c(C)c1	514387392	FNGYDNNQUHGZPS-INIZCTEOSA-N	572.738	3.560	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C	514402071	DMYVMTMXCOJRID-UHFFFAOYSA-N	523.677	3.507	0	20	KHAD	
CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1	514377689	FDVJESHCWIYPJH-UHFFFAOYSA-N	571.618	3.705	0	20	KHAD	
CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)nnc1-c1cccc(C)c1	514388541	OSHDZGBPKDBWIR-UHFFFAOYSA-N	599.657	3.966	0	20	KHAD	
CCn1c(SCC(=O)Nc2cc(C(C)(C)C)no2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514390928	CBGAJUXCBQRPAY-UHFFFAOYSA-N	518.665	3.766	0	20	KHAD	
Cc1ccc(-c2csc3nc(SCC(=O)N4CCCC[C@H]4C(N)=O)n(C[C@@H]4CCCO4)c(=O)c23)cc1	514391897	SETCWXRSEDMPFC-ICSRJNTNSA-N	526.684	3.571	0	20	KHAD	
Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cnc(Cl)s2)CC3)c(-n2nccn2)c1	1821459459	NCYMCGQSYGPVBW-GFCCVEGCSA-N	500.009	3.682	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc(O)c2c3c(sc2n1)CCCC3)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514291045	CLCGTUPQFRRMRD-UHFFFAOYSA-N	566.709	3.950	0	20	KHAD	
CCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)nc2ccccc2c1=O	514291498	GUJJPIWDBBQTHI-UHFFFAOYSA-N	518.661	3.576	0	20	KHAD	
COCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1	514385722	SFXDCOXQLORXJU-OAQYLSRUSA-N	535.091	3.650	0	20	KHAD	
COc1cc(CNC(=O)CSc2nc3ccccc3c(=O)n2CCN(C(C)C)C(C)C)cc(OC)c1OC	514386408	OAJGXKFIVQXPLT-UHFFFAOYSA-N	542.702	3.950	0	20	KHAD	
O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514291561	HOLLYWPIRCRDFZ-UHFFFAOYSA-N	574.754	3.502	0	20	KHAD	
CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)Nc3nc(CN4CCOCC4)cs3)c2)cc1	514293511	RMGARELEADTAQN-UHFFFAOYSA-N	530.672	3.760	0	20	KHAD	
Cc1ccc(NC(=O)[C@@H](C)Sc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1	514293545	SNWCXPVBTNZCNB-RBUKOAKNSA-N	593.175	3.992	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)n2[C@H](C)COC)c1	514375093	KPVVOLOXTBBZRC-QPPBQGQZSA-N	641.882	3.624	0	20	KHAD	
COCCN(C(=O)CSc1nnc(-c2ccco2)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)c1c(O)nc(=O)n(CC(C)C)c1N	514376809	SBBUVVYZGYYGJS-FYQPLNBISA-N	585.731	3.808	0	20	KHAD	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)CC2)cc1	514377595	AXPGYNHGCZCLLA-UHFFFAOYSA-N	556.729	3.523	0	20	KHAD	
CCCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1	514395832	VAKPHGLXIYHFSP-WMZOPIPTSA-N	551.637	3.893	0	20	KHAD	
CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514293992	VORBSJOMXNXSQP-UHFFFAOYSA-N	618.807	3.655	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)CC2)cc1	514296098	PBGHWINZHKHWCH-BGYRXZFFSA-N	561.726	3.595	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3)n2[C@@H](C)COC)c1	514374137	JNXWPMOJQWEHNF-SFHVURJKSA-N	547.703	3.922	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(c3ccccc3F)CC1)n2CC	514378639	GMACBZWGFUUZEJ-UHFFFAOYSA-N	515.655	3.507	0	20	KHAD	
CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC(c2nc3ccccc3s2)CC1	514400994	ICYIETYXRYOFHR-FQEVSTJZSA-N	564.527	3.998	0	20	KHAD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C	514402159	GTWMJZLKWBPRRX-IBGZPJMESA-N	514.648	3.617	0	20	KHAD	
CCCCN(C(=O)CSc1nnc2n(-c3cc(C)ccc3C)c(=O)c3ccccc3n12)[C@H]1CCS(=O)(=O)C1	514403976	VKPPLSNNFOFYOO-FQEVSTJZSA-N	553.710	3.558	0	20	KHAD	
N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21	1857791291	AEWOSKYFHUUYCA-AEQDTWRLSA-N	758.080	3.693	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nnc(-c2cccc(C)c2)n1-c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1	514403266	RWWDZXMOCUWDMK-WIYYLYMNSA-N	514.673	3.768	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1snnc1C1CC1)CC2)c1cn2c(Cl)cccc2n1	1818123348	QFJGXPNKASBLSX-LLVKDONJSA-N	500.009	3.713	0	20	KHAD	
O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)N1CCN(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)CC1	514290754	AIRWOGIKPDBIFP-UHFFFAOYSA-N	686.912	3.595	0	20	KHAD	
CCCCn1c(N)c(N(C(=O)CSc2nnc(-c3cccc(C)c3)n2C)C2CCCC2)c(O)nc1=O	514385166	AUTNTOWVHBLIHP-UHFFFAOYSA-N	511.652	3.503	0	20	KHAD	
CCn1c(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	514404770	MEDCFDZDUNMYFP-VQTJNVASSA-N	579.741	3.879	0	20	KHAD	
Cc1ccn2c(=O)c(C(=O)N[C@@H]3CCc4nc(NC(=O)c5sccc5Cl)sc4C3)cnc2c1	1820889715	JNYFRGRPBSMSAP-GFCCVEGCSA-N	500.005	3.714	0	20	KHAD	
Cc1cccc(C)c1OCc1nnc(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1	514296992	QIZFYMNMXGKCIY-DNQXCXABSA-N	570.737	3.750	0	20	KHAD	
COCCCN(C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)c1c(O)nc(=O)n(CC(C)C)c1N	514378831	ISVPYJKIBCNVFG-UHFFFAOYSA-N	500.621	3.916	0	20	KHAD	
CCCn1c(CCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514379568	DRJNSIJUTQOURX-UHFFFAOYSA-N	584.164	3.952	0	20	KHAD	
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCN3CCN(CC)CC3)ccc2OC)cc1Br	514379667	CPLFMUVSXZEXMV-UHFFFAOYSA-N	569.522	3.623	0	20	KHAD	
CCCn1c(CSc2nc3ccccc3n2CCOC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514381637	MJONLVZPRMHIOG-UHFFFAOYSA-N	529.688	3.756	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)nnc1-c1ccc(OC)c(OC)c1	514395326	IDHNYUXYSUAIKR-INIZCTEOSA-N	572.640	3.691	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCN(Cc2nc(-c3cccs3)no2)CC1	514392559	XYAQEFIIOWXRKD-UHFFFAOYSA-N	551.694	3.696	0	20	KHAD	
CCOc1cc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OCC(=O)N1CCCCC1	514404120	ZFUWJUOWTAFZBI-LJQANCHMSA-N	502.633	3.713	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CCc2c(C)nn(CC(C)C)c2C)c(O)nc1=O	514405778	ZCCCYEOTHCQDDD-UHFFFAOYSA-N	524.666	3.975	0	20	KHAD	
O=C1CSc2ncc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccc(Cl)c3)CC4)cc2N1	1824223007	PULXVBSGMHTYKC-CQSZACIVSA-N	500.005	3.775	0	20	KHAD	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1	514292860	PNDJSGITSAVSCT-UHFFFAOYSA-N	521.705	3.518	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)n1-c1ccc(OC)cc1)N(C)C	514298272	YSBLDFKCBCFHLH-PKTZIBPZSA-N	523.659	3.507	0	20	KHAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	514378283	DYIUHPXDYZOXBB-QGZVFWFLSA-N	512.994	3.907	0	20	KHAD	
CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)N(CCOC)c3c(O)nc(=O)n(CC(C)C)c3N)nc(O)c12	514383027	DYQYOUSBVMCUGH-CQSZACIVSA-N	564.734	3.566	0	20	KHAD	
CCN(C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C1CCCCC1)[C@H]1CCS(=O)(=O)C1	514292413	LWYCBJFWVFYMMQ-IBGZPJMESA-N	522.693	3.595	0	20	KHAD	
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514295746	MSAPZEUOGMKWPT-UHFFFAOYSA-N	545.605	3.529	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc(SCCOC(C)C)n1-c1ccccc1	514375550	RMZWUFKFXZZHEN-UHFFFAOYSA-N	502.662	3.781	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c(O)nc1=O	514377198	MRTDBSZUUHTQJO-UHFFFAOYSA-N	612.753	3.560	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)CC2)cc1	514383500	KFDZLOOCGVCZLL-RUZDIDTESA-N	500.617	3.575	0	20	KHAD	
COc1cc(OC)cc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c2nccn2C)c1	514394438	NNEAECSEFIVESU-AREMUKBSSA-N	540.686	3.867	0	20	KHAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)Nc3cc(C)c(C(=O)OC)s3)nc(=O)c2c1C	514401274	RFSNQKUCYRBVRG-UHFFFAOYSA-N	509.631	3.888	0	20	KHAD	
O=C(Nc1cc(Cl)ccc1-n1cncn1)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1	642068356	MUESIVAAOQZPTE-UHFFFAOYSA-N	500.005	3.982	0	20	KHAD	
Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(-n3cccn3)cc1Cl)CC2	1817604805	SOIQOWLOHIQWQL-GFCCVEGCSA-N	500.009	3.682	0	20	KHAD	
Cc1nc2sccn2c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(=O)c1ccc(Cl)cc1)CC2	1819351437	HRVOGHGCPYWFNM-AWEZNQCLSA-N	500.005	3.923	0	20	KHAD	
COc1cc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)ccc1OC(F)F	514377183	MCFKIWAOLHOWGS-UHFFFAOYSA-N	510.559	3.559	0	20	KHAD	
CC(=O)Nc1nc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C2CCCC2)cs1	514292617	ONHCUOGLJAMNEP-UHFFFAOYSA-N	548.716	3.788	0	20	KHAD	
COCCn1c(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)nc2sc3c(c2c1=O)CCCC3	514292961	OBATXZXRSWPIRF-UHFFFAOYSA-N	535.091	3.826	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1	514294311	ZXSQXJWHUBBMRH-LJQANCHMSA-N	535.688	3.685	0	20	KHAD	
CC(C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514297422	WBZNMEPZHRIQTE-UHFFFAOYSA-N	567.712	3.693	0	20	KHAD	
O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)C1CCN(S(=O)(=O)c2ccccc2F)CC1	514377106	LUGNYVADQIJVSS-UHFFFAOYSA-N	514.648	3.880	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)s1	514391340	HEZQNCRWQPDVSX-UHFFFAOYSA-N	504.600	3.725	0	20	KHAD	
O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1	514392803	COWHKZMXVGZUIQ-UHFFFAOYSA-N	594.475	3.915	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)nc2cc(Cl)ccc2c1=O	514395915	WYIXOJUUDBHAAM-LJQANCHMSA-N	545.105	3.716	0	20	KHAD	
Cc1sc2ncnc(N3CCC(C(=O)N(CC(C)C)c4c(O)nc(=O)n(CC(C)C)c4N)CC3)c2c1C	514301223	WQSIMKGOQPBOJH-UHFFFAOYSA-N	527.695	3.714	0	20	KHAD	
CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514375085	KMGZMKVVRDNIFY-BBTUJRGHSA-N	505.710	3.783	0	20	KHAD	
COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c1	514381834	ACWDZOQRXHWWHK-UHFFFAOYSA-N	506.024	3.624	0	20	KHAD	
CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1-c1ccccc1C	514382757	DDSRAAFBWLCYBW-FQEVSTJZSA-N	522.675	3.552	0	20	KHAD	
C[C@H]1CN(Cc2csc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)n2)C[C@@H](C)O1	514393833	MGHKGIOJOHWHPC-IYBDPMFKSA-N	546.637	3.811	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)nc2cc(C(=O)OC)ccc2c1=O	514395439	KHKLWWUVXNVYOA-SJORKVTESA-N	543.642	3.595	0	20	KHAD	
Cc1ccc(-n2c(SCCC(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)nnc2N2CCOCC2)cc1	514404805	NGNHCAJKJVCXLH-UHFFFAOYSA-N	591.159	3.971	0	20	KHAD	
O=C1CSc2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cc(Cl)ccn3)CC4)ccc2N1	1816973863	SSRRDFLYCNGIAT-CYBMUJFWSA-N	500.005	3.775	0	20	KHAD	
Cc1cn2c(=O)c(C(=O)N[C@H]3CCc4nc(NC(=O)c5ccccc5Cl)sc4C3)cnc2s1	1821888887	IWJDSHPRXKRZAL-LBPRGKRZSA-N	500.005	3.714	0	20	KHAD	
Cc1sc2ncnc(SCC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)c2c1C	514292950	POVAVPVARWFELZ-UHFFFAOYSA-N	513.066	3.713	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(S(C)(=O)=O)ccc1C	514293685	VQRRMPHEWQXEEE-UHFFFAOYSA-N	507.678	3.672	0	20	KHAD	
CCCCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1c(O)nc(=O)n(CCCC)c1N	514296121	MCOJVLBZMARNPT-UHFFFAOYSA-N	573.638	3.584	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)n1-c1ccc(OC)cc1)N(C)C	514375495	QBBRJJWMZJWCFO-OAQYLSRUSA-N	546.719	3.578	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1C)[C@@H]1CCS(=O)(=O)C1	514387334	CSAAGGPUHKEXFX-FUHWJXTLSA-N	520.076	3.864	0	20	KHAD	
CC[C@@H](C)c1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C(C)C)cc1	514388769	YLFICZLRTCUXOQ-KBMIEXCESA-N	535.732	3.762	0	20	KHAD	
CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1	514394048	GVYQROGNSHZHNN-KRWDZBQOSA-N	543.671	3.511	0	20	KHAD	
C[C@H](Sc1nnc(CCC(N)=O)n1C[C@H]1CCCO1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1	514395398	JMJXDDSKQIWHGZ-LDQXTDLNSA-N	557.076	3.980	0	20	KHAD	
C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	514384469	SJYALMCUDRYRTA-KRWDZBQOSA-N	512.661	3.969	0	20	KHAD	
COc1cc(CNC(=O)CSc2nnc(CN3CCCC3)n2-c2ccc(Cl)cc2)cc(OC)c1OC	514385993	AGSOSJKKXNWTGA-UHFFFAOYSA-N	532.066	3.951	0	20	KHAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccccc2)CC1	514386657	XARXGSCGOUGWTA-UHFFFAOYSA-N	561.756	3.745	0	20	KHAD	
COC(=O)C[C@@H](NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc(OC)c(OC)c1	514389856	PHIJOAXGFYADBS-SELNLUPBSA-N	512.603	3.906	0	20	KHAD	
COC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc3n(-c4cc(C)ccc4C)c(=O)c4ccccc4n23)CC1	514395507	MDQSLHJHMXSZSG-GOSISDBHSA-N	519.627	3.542	0	20	KHAD	
CCCn1c(CCC(=O)Nc2ccc(F)cc2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514381018	YYOBNIWKKHCTQA-UHFFFAOYSA-N	509.003	3.831	0	20	KHAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)c(O)nc1=O	514385983	YPRVFTYAXBIKSQ-UHFFFAOYSA-N	503.654	3.688	0	20	KHAD	
COc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c2nccn2C)cc1	514390496	LRKAXDAZEJJMHS-RUZDIDTESA-N	524.687	3.969	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(COc2ccc(CC)cc2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1	514403529	LZTUKOJZBWRHHM-NRFANRHFSA-N	522.737	3.983	0	20	KHAD	
COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)cc1	514404869	LRNKDFRMNGGKFD-HNNXBMFYSA-N	653.415	3.564	0	20	KHAD	
CC(C)CN(C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514405006	PWQQTKIRDMHWTK-UHFFFAOYSA-N	608.548	3.976	0	20	KHAD	
O=C(CSc1nncn1-c1ccccc1)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O	207594713	KYIHBEOYKMMAPU-LDADJPATSA-N	500.005	3.866	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514291755	HFKRPOGXOPFSBV-UHFFFAOYSA-N	556.106	3.563	0	20	KHAD	
CCOc1ccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1S(=O)(=O)N1CCOCC1	514390801	VWVCLOQSPFVZSM-UHFFFAOYSA-N	531.656	3.631	0	20	KHAD	
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1	514400816	BIEMPWKYBILEKZ-IBGZPJMESA-N	566.479	3.656	0	20	KHAD	
Cc1ccc(NC(=O)CSc2nnc(NC(=O)CN3C(=O)N[C@@]4(C[C@@H](C)CC(C)(C)C4)C3=O)s2)c(C)c1	514401674	BTCVSQMDEFZEPQ-ODCWNRFASA-N	544.703	3.961	0	20	KHAD	
O=C(CSCc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1	514377836	LGNOWOTXYVDLAZ-UHFFFAOYSA-N	506.466	3.994	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1	514387963	KQIBBQDDMPACHH-NVXWUHKLSA-N	536.075	3.564	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2[C@@H](C)COC)c1	514375985	YSWNXEDSAKEMLG-KRWDZBQOSA-N	561.686	3.643	0	20	KHAD	
CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1	514391151	HTRAFAQGLRJETK-UHFFFAOYSA-N	508.364	3.864	0	20	KHAD	
CCCN(C(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1	514395521	MMEPWEMQCNDNDZ-PKOBYXMFSA-N	544.139	3.771	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	514291152	CQJFLEWTJQPUPJ-PXDATVDWSA-N	535.663	3.784	0	20	KHAD	
CCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1)C1CCCCC1	514293132	SHIBOJSNEOQVQT-UHFFFAOYSA-N	573.741	3.881	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1CCN1CCOCC1)N(C)C	514293883	UMUDCUYEEYVYES-OXQOHEQNSA-N	529.538	3.899	0	20	KHAD	
O=S(=O)(c1ccc(NCc2ccc(N3CCOCC3)nc2)nc1)N1CCC(Cc2ccccc2)CC1	514393896	NXZRLCPTSLYROK-UHFFFAOYSA-N	507.660	3.569	0	20	KHAD	
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1S(=O)(=O)N(C)C	514291901	IDHHIMHYSZQGPS-HXUWFJFHSA-N	533.651	3.553	0	20	KHAD	
CC(C)COC[C@@H](O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@H](C)c1ccccc1	514295005	GZWGOSDGRYPPJT-ZJSXRUAMSA-N	560.742	3.701	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nc3sc(C)c(CC)c3c(=O)n2C[C@H]2CCCO2)sc(C(N)=O)c1C	514375820	WKLQOCOHJCRBPV-CQSZACIVSA-N	578.738	3.884	0	20	KHAD	
CCOc1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cc1S(=O)(=O)N1CCCCC1	514382074	FJIADILVBRJFJP-UHFFFAOYSA-N	533.466	3.832	0	20	KHAD	
O=C1CSc2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccnc3Cl)CC4)ccc2N1	1816969811	CHOBDYCDEGTRDE-LBPRGKRZSA-N	500.005	3.775	0	20	KHAD	
COCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)nc2ccccc21	514293088	PPQLIORXJDIXDZ-UHFFFAOYSA-N	518.661	3.597	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccc(C)c(C)c2)o1)c1c(O)nc(=O)n(CC(C)C)c1N	514374371	BATRSBSKTRBPGV-UHFFFAOYSA-N	500.625	3.779	0	20	KHAD	
CCn1c(SCC(=O)c2ccc(CCNC(C)=O)s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514390317	FSFHZACXYONYDQ-UHFFFAOYSA-N	534.729	3.946	0	20	KHAD	
CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1CC	514390840	DEYLVLUEVYBTOZ-NRFANRHFSA-N	571.725	3.530	0	20	KHAD	
COc1ccc(-c2noc(CN3CCN(C(=O)[C@H]4CCCN(C(=O)c5ccc(Cl)cc5)C4)CC3)n2)cc1	514391375	IMFKNLXSITUQGE-NRFANRHFSA-N	524.021	3.595	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@H]2CCCO2)sc(C(=O)N(C)C)c1C	514394505	XCBUMOOMXYIFLF-GOSISDBHSA-N	578.761	3.673	0	20	KHAD	
CS(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1	514404321	BUIXKJDDZUUWLV-UHFFFAOYSA-N	541.898	3.607	0	20	KHAD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514294784	BXPMETKOOXHRAG-CQSZACIVSA-N	522.929	3.708	0	20	KHAD	
CCOc1ccc(-n2c(SCC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)nnc2-c2cccc(OC)c2)cc1	514300167	KTRBEHUEKVYITE-DHLKQENFSA-N	586.736	3.628	0	20	KHAD	
CCCn1c(CSc2nnc(N3CCOCC3)n2-c2ccc(C)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514386724	ZTQLJOXWPCDBRZ-UHFFFAOYSA-N	555.730	3.715	0	20	KHAD	
O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1	514300458	PMRQQPLLGWQGHM-UHFFFAOYSA-N	515.586	3.989	0	20	KHAD	
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)n1	514375878	YGRPWWAGKAYJAV-UHFFFAOYSA-N	514.677	3.605	0	20	KHAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1C	514380665	SDVOHTJWCUUNFQ-UHFFFAOYSA-N	560.717	3.854	0	20	KHAD	
COCCN(C(=O)CSc1nnc(COc2ccccc2F)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1	514385361	FMBRIETWHQMCND-FXTUREPZSA-N	580.748	3.748	0	20	KHAD	
CCCn1c(CSCC(=O)c2cc(C)n(CCOC)c2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514387552	OXJFULHWZHWJHQ-UHFFFAOYSA-N	548.731	3.648	0	20	KHAD	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1	514388491	ZBNSGPLAJDHEBK-UHFFFAOYSA-N	574.519	3.649	0	20	KHAD	
CCOC(=O)c1c(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)sc2c1CCS(=O)(=O)C2	514392097	QRRFWAIPLIXQJC-UHFFFAOYSA-N	511.618	3.844	0	20	KHAD	
Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnc(Cl)s4)sc3C2)c(-n2nccn2)c1	1820785689	QNZRMFIANQSVQD-GFCCVEGCSA-N	500.009	3.682	0	20	KHAD	
Cn1ccc(=O)cc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3c(Cl)cncc3s1)CC2	1821309875	ZDPRYILHACBUHG-NSHDSACASA-N	500.005	3.645	0	20	KHAD	
CC(C)(C)OC(=O)[C@]1(Cn2ccnc2)C[C@H](C(=O)O)[C@@H](c2cncs2)N1C(=O)OCc1ccccc1	407986859	OHSCCJGQFCHGBV-JVFUWBCBSA-N	512.588	3.905	0	20	KHAD	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3nnn(OCc4nnc(-c5ccccc5Br)o4)c3c2)C1	514293755	WVXKAGPQXPGOSF-GJZGRUSLSA-N	547.435	3.539	0	20	KHAD	
CCOCCCn1c(SCC(=O)NCC(=O)OC)nc2scc(-c3ccccc3Cl)c2c1=O	514302111	BISYJPYGGRRMDC-UHFFFAOYSA-N	510.037	3.586	0	20	KHAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CNc1ccccc1I	514387621	KZWWIZBCRFXXJD-UHFFFAOYSA-N	525.387	3.976	0	20	KHAD	
Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CCC(C)C)n([C@@H]2CCS(=O)(=O)C2)n1	514391575	MWCWFCPKSRIOOW-QGZVFWFLSA-N	538.095	3.691	0	20	KHAD	
O=C1C[C@@H](C(F)(F)F)N(C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)c2ccccc2N1	514392955	IQBDYTAAWJPMQM-SFHVURJKSA-N	528.578	3.655	0	20	KHAD	
CCCNC(=O)CSc1nnc(SCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)s1	514395103	CHDLTSPGPAKLPD-UHFFFAOYSA-N	509.462	3.981	0	20	KHAD	
Cc1ncc(/C=C/C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(Cl)cc5nn[nH]c45)sc3C2)s1	1821444662	LFCMFPWQFONJAW-PYEVWLCESA-N	500.009	3.772	0	20	KHAD	
CCCSc1nc(N[C@@H]2C[C@H](OCCO)[C@H]3OC(C)(C)O[C@@H]23)c2nnn([C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2n1	2048531805	DXWFXXPBMCKGDF-FYEBJQQMSA-N	562.643	3.812	0	20	KHAD	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	2382215048	HJDZOFSHRWNYIO-ABVVNCBOSA-N	753.919	3.530	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1	514304428	TWHKMQORNZAPFT-KRWDZBQOSA-N	507.603	3.725	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2ccc(OCC)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514377840	LNFFAGBPWXRAFT-UHFFFAOYSA-N	514.648	3.827	0	20	KHAD	
Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)no1	514377862	MASPFSFNJUSCMC-SOADLSRISA-N	520.677	3.785	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(C)cc(C)cc4s3)CC2)c(C(=O)OC)c1C	514379034	LXEWBCQGKMDWTN-UHFFFAOYSA-N	565.695	3.896	0	20	KHAD	
O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514386857	GEECBHLUMGWUIF-UHFFFAOYSA-N	574.430	3.873	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNc2ccc(NC(C)=O)cc2C(F)(F)F)c1	514387026	CSMVQIVOEKRJFN-UHFFFAOYSA-N	516.542	3.754	0	20	KHAD	
COCCCn1c(SCC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)nc2cc(C(=O)OC)ccc2c1=O	514395924	XGVHMQOABVCMIY-DEOSSOPVSA-N	509.628	3.888	0	20	KHAD	
C[C@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@@H](O)C[C@]34C)[C@@]2(C)CO)[C@H](O)[C@@H](O)[C@H]1O	1857523752	UAUUFLADFXKYAU-HMXSDMDBSA-N	618.852	3.856	0	20	KHAD	
CCOc1ccc(Cc2cc([C@]3(OC)O[C@H](CO[C@@]4(c5ccc(Cl)c(Cc6ccc(OCC)cc6)c5)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1	2048532317	ZSWOQWMCYDJMKM-SOHWSJSDSA-N	845.766	3.597	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)sc(C(=O)NC)c1C	514291822	IXJDJRVDJLLKHV-CQSZACIVSA-N	549.700	3.823	0	20	KHAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)cc2)C[C@@H](C)O1	514292627	OEMLUELBGPSYQB-WSTZPKSXSA-N	577.754	3.714	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	514295135	HBWATAOLGYONRP-UHFFFAOYSA-N	641.690	3.841	0	20	KHAD	
Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1	514295601	IUBLEGRSIIPTFT-HDICACEKSA-N	513.616	3.850	0	20	KHAD	
COc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2C[C@@H]2CCCO2)cc1	514296327	HOCSARIZNDCCSR-IERDGZPVSA-N	516.645	3.868	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N1CCC(CCc2ccc(C)cc2)CC1	514300120	TVRIMXDDNUDBJX-UHFFFAOYSA-N	589.780	3.568	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514375299	NDXMAJRZNBAGJI-IAGOWNOFSA-N	520.652	3.574	0	20	KHAD	
CCCn1c(CCC(=O)NCC(=O)Nc2c(C)cccc2C)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514377343	RQQAWKNSIKXJHP-UHFFFAOYSA-N	527.691	3.781	0	20	KHAD	
COc1ccc(OC)c(NC(=S)/C(=C(/O)c2ccc(CCNC(C)=O)s2)[n+]2cccc(O)c2)c1	726568103	JTZBTEDAPBWRCA-UHFFFAOYSA-O	500.622	3.760	0	20	KHAD	
C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccc(F)cc2)C1	514290996	BUOXJKXCPGJTSD-NHCUHLMSSA-N	587.743	3.750	0	20	KHAD	
CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514294357	XFHQWVVFYQEQNR-UHFFFAOYSA-N	502.662	3.733	0	20	KHAD	
CCOc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2OC)cc1S(=O)(=O)N1CCCCC1	514298826	HPPPGHIHPXGEES-OAQYLSRUSA-N	549.715	3.759	0	20	KHAD	
CCOc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1S(=O)(=O)N1CCCCC1	514300066	RJBQCWZRZNWDLI-UHFFFAOYSA-N	565.714	3.502	0	20	KHAD	
CCOc1cc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc(OCC)c1OCC	514379265	RNUMVLOBWAOAGJ-UHFFFAOYSA-N	531.631	3.656	0	20	KHAD	
CCCSc1nc(N[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3C[C@H](OCCO)[C@H]4OC(C)(C)O[C@@H]34)c2n1	205255023	WLEOHEIRUFTYCF-OCQMCECASA-N	562.643	3.812	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2	514292141	LHCMDWMLOLIPRK-UHFFFAOYSA-N	542.683	3.511	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1	514293758	WXXVOKLSEFQTSM-UHFFFAOYSA-N	514.069	3.716	0	20	KHAD	
CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)c1	514300750	STVTYHWAKJGONO-UHFFFAOYSA-N	513.447	3.603	0	20	KHAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)c12	514383548	KYJSDAVJMFPNOU-KBMIEXCESA-N	524.643	3.875	0	20	KHAD	
C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)n2)C1	514390890	APTILRXFHKWEBB-HXUWFJFHSA-N	547.747	3.639	0	20	KHAD	
CC(C)CCNC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1	514395238	GDUUUTGVGFUGKQ-HXUWFJFHSA-N	575.732	3.796	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(-c2sc(C)nc2C)o1	514401969	HRDXSRGMYYPTBA-UHFFFAOYSA-N	523.662	3.724	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1S(=O)(=O)N(CC)CC	514405566	XQNWBZWKTVZWRC-UHFFFAOYSA-N	538.717	3.772	0	20	KHAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(-n3nc(C)c(CCC(=O)OC)c3C)cc2)CC1	514299234	DIYXZUHEHZOYQA-UHFFFAOYSA-N	531.657	3.554	0	20	KHAD	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4c[nH]c(C(N)=O)c4)cs3)CC2)c1C	514303456	NZEPXOUVQBJVQJ-UHFFFAOYSA-N	515.661	3.510	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(OCC)cc2)c(O)nc1=O	514374628	DYZARNRWHKENFV-UHFFFAOYSA-N	607.737	3.673	0	20	KHAD	
CCCCn1c(CCC(=O)N(CCOC)Cc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514380622	QHZOYWHXOCPJFS-UHFFFAOYSA-N	500.665	3.695	0	20	KHAD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1	514390361	HMCMKODZXYPWJI-UHFFFAOYSA-N	514.431	3.887	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nnsc1C1CC1)CC2)c1cn2c(Cl)cccc2n1	1818123106	JBGBKPUZXUEDLF-NSHDSACASA-N	500.009	3.713	0	20	KHAD	
CCn1c(CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514293851	ZCHBGBIJXQGHJR-UHFFFAOYSA-N	563.727	3.915	0	20	KHAD	
COc1ccc(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1OC	514295556	IOODYSOTMOGALI-UHFFFAOYSA-N	515.415	3.507	0	20	KHAD	
CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccccc3SCC(=O)NCCc3ccc(OC)c(OC)c3)c2)CC1	514304361	SEAOFIAKCYFFCK-UHFFFAOYSA-N	626.801	3.733	0	20	KHAD	
COCCn1c(SCc2nc(O)c3ccc(C(=O)OC)cc3n2)nc2sc3c(c2c1=O)CCCC3	514382802	WACFIQSETPFNGB-UHFFFAOYSA-N	512.613	3.711	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2nnc(S[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)n2c1	514391582	NBZUUOBAIWLACZ-CYBMUJFWSA-N	501.556	3.898	0	20	KHAD	
CCCn1c(CCC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514405736	YVMRTIKXXNUUEH-FQEVSTJZSA-N	574.773	3.727	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1	514294309	ZXSQXJWHUBBMRH-IBGZPJMESA-N	535.688	3.685	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	514386540	RMOHGSUIEFHBCB-LJQANCHMSA-N	566.536	3.665	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(N3CCCC3)n2Cc2ccco2)sc2c1CCC2	514392764	AWFSIHWCQKUYRF-UHFFFAOYSA-N	501.634	3.977	0	20	KHAD	
COc1ccc(-n2c(S[C@@H](C)C(=O)N3CCC(C(N)=O)CC3)nc3sc4c(c3c2=O)CCCC4)cc1	514395034	AWZMXVQKYAVRLF-HNNXBMFYSA-N	526.684	3.539	0	20	KHAD	
O=C(CSc1ncnc2ccccc12)N1CCC(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1	514403968	VCLBVMRGHVMADO-UHFFFAOYSA-N	579.748	3.724	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)CC)[C@H]1CCS(=O)(=O)C1	514292624	MHJMWQRZWKOFMS-IRLDBZIGSA-N	599.845	3.855	0	20	KHAD	
COc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c(OC)cc1Cl	514384107	LOMJMGVYZIYKLM-AWEZNQCLSA-N	504.996	3.900	0	20	KHAD	
CCCn1c(CCC(=O)N(CCOC)c2nc3ccccc3s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514402203	LNTIHTPBTUKGQL-UHFFFAOYSA-N	571.725	3.689	0	20	KHAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](CSC)N3C(=O)[C@H]4CCCC[C@H]4C3=O)ccc2C)cc1	514402884	GRGQLQXEHUXCFQ-BHIFYINESA-N	545.683	3.650	0	20	KHAD	
COC(=O)c1cccc2c1CCCN2C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514403031	PGGJDWMPDYDNTP-UHFFFAOYSA-N	510.534	3.872	0	20	KHAD	
COc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C	514403879	SDKZTKFTECLTFZ-KNQAVFIVSA-N	596.672	3.968	0	20	KHAD	
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	864034010	QQJLXYULXUPDQC-JOCHJYFZSA-N	500.005	3.816	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C	514292224	IRFGPMYUBDTJQA-UHFFFAOYSA-N	500.665	3.572	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccco3)Cc3cccs3)CC2)c(C(=O)OC)c1C	514380830	VGHONTCRKFMHFZ-UHFFFAOYSA-N	580.706	3.914	0	20	KHAD	
Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1O	514403541	MIFZJILKQYCMTB-HXUWFJFHSA-N	513.598	3.835	0	20	KHAD	
CN(C)S(=O)(=O)c1cc(NC(=O)CSc2nc(O)c3c4c(sc3n2)CCCC4)ccc1Cl	514404633	KMZCXDGGVPTFIU-UHFFFAOYSA-N	513.066	3.910	0	20	KHAD	
CCn1c(CCC(=O)Nc2nc3ccc(C)cc3s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292137	LGDDREDBBBVQBJ-UHFFFAOYSA-N	513.645	3.567	0	20	KHAD	
COc1ccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccccc1Cl	514296898	PRVNLWFEQBMFMQ-IAGOWNOFSA-N	520.007	3.653	0	20	KHAD	
CCOC(=O)Cc1csc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)n1	514374757	GQYWYAPWURSTEM-UHFFFAOYSA-N	504.634	3.505	0	20	KHAD	
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@@H]3CCCO3)CC2)c1	514377296	QHEAJGHBSGYQMU-VWLOTQADSA-N	555.697	3.553	0	20	KHAD	
COc1ccc(C2=NN(C(=O)Cn3nc(C)c(S(=O)(=O)N4CCCCC4)c3C)[C@@H](c3ccco3)C2)cc1	514384484	STHXPSBFINUMAW-HSZRJFAPSA-N	525.631	3.654	0	20	KHAD	
CCCn1c(CSCC(=O)Nc2ccccc2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514387265	MJQAIEQQIBMQFD-UHFFFAOYSA-N	523.080	3.993	0	20	KHAD	
COCCCNC(=O)[C@@H](C)Sc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1F	514395110	CMXXMJFOXDVBIV-OAHLLOKOSA-N	504.584	3.733	0	20	KHAD	
CCn1c(S[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)nc2scc(-c3cccs3)c2c1=O	514404975	OZJMFYJRJXCZPP-DYVFJYSZSA-N	511.716	3.626	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)N1CCC(c2nnc3ccccn23)CC1	514387158	JMYBZKZHALYWJK-OAQYLSRUSA-N	521.622	3.804	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nnc(-c3sc(C)nc3C)o2)c1	514404736	KNFCGKYXVHLFCI-UHFFFAOYSA-N	511.651	3.580	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3nnsc3C3CC3)sc2C1)c1c[nH]c2nccc-2c1Cl	1817706494	KVAHPOUNKZCEGO-JTQLQIEISA-N	500.009	3.893	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c3c(Cl)cccc13)CC2)c1snnc1C1CC1	1817837669	WVSHRCRBCUSTTE-JTQLQIEISA-N	500.009	3.941	0	20	KHAD	
C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2)C(=O)NCC1CCCCC1	514374332	AADXTIHRILJHFM-NRFANRHFSA-N	627.789	3.920	0	20	KHAD	
COc1ccc(CNC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)cc1OC	514374345	AOYIFAWFYXBCGS-KRWDZBQOSA-N	529.684	3.942	0	20	KHAD	
CCc1cccc(OC[C@H](O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n2CC)c1	514380789	QKLJKXYFCNCVBG-NRFANRHFSA-N	516.689	3.844	0	20	KHAD	
CCCNC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccccc1Cl	514387662	HTHMRSOBBCZOQV-QGZVFWFLSA-N	550.106	3.615	0	20	KHAD	
O=C(NCc1ccccc1CN1CCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514388317	OEJLJMUSIYCEOV-UHFFFAOYSA-N	526.522	3.824	0	20	KHAD	
CC(C)OCCCn1c(SCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)nc2cc(Cl)ccc2c1=O	514390794	VTUGVCNXDAQACF-INIZCTEOSA-N	565.117	3.582	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)o2)c1	514395818	USOVRZPQSFDIHV-DLBZAZTESA-N	546.671	3.896	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)NCc1ccccc1CN(CC)CC)c1c(O)nc(=O)n(CCCC)c1N	514404333	CBSQDKSOOQDWAE-UHFFFAOYSA-N	542.725	3.793	0	20	KHAD	
COc1ccc(-n2c(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2)cc1	514404825	OBDQZOJBYQUBED-QFIPXVFZSA-N	526.684	3.993	0	20	KHAD	
Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnsn1)CC2	1820730825	LAUYXURCJMERGI-ZDUSSCGKSA-N	500.009	3.588	0	20	KHAD	
CCCCn1c(CCC(=O)N(C)Cc2ccc(OCC)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514295712	GKCNQGFLTVYORK-UHFFFAOYSA-N	542.702	3.847	0	20	KHAD	
CCCCN(C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1c(O)nc(=O)n(CCCC)c1N	514297373	VOCMDMGRXZYYMP-UHFFFAOYSA-N	509.607	3.707	0	20	KHAD	
CCn1c(SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CC[C@@H](C)C3	514299253	DYIRACBZOKDKDB-HZPDHXFCSA-N	551.781	3.972	0	20	KHAD	
CCn1c(CCC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)nc2cc(S(=O)(=O)N(C)C)ccc21	514377358	RYPPWPJAUAORQQ-UHFFFAOYSA-N	552.726	3.893	0	20	KHAD	
COC(=O)c1ccc(-c2csc(NC(=O)[C@H](CCSC)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)n2)cc1	514387017	CNQSSVWSAMYUCJ-LMMKCTJWSA-N	501.630	3.832	0	20	KHAD	
Cc1cc(C)c2c(NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C(=O)N3CCOCC3)sc2n1	514389200	BWVGLLIDCBIKEI-UHFFFAOYSA-N	556.710	3.741	0	20	KHAD	
CC(C)OCCCn1c(S[C@H](C)C(=O)NC(=O)NCC(F)(F)F)nc2cc(Cl)ccc2c1=O	514389337	DVWPPKPVPRPABV-GFCCVEGCSA-N	508.950	3.734	0	20	KHAD	
CCCCN(C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1c(O)nc(=O)n(CC(C)C)c1N	514378686	HLHXFZDTJJPAIH-UHFFFAOYSA-N	574.531	3.728	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)CCOc1ccc(OC)cc1)n2CC	514385074	ZJMXIJWOIPIPJU-UHFFFAOYSA-N	516.664	3.565	0	20	KHAD	
CCCn1c(SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)nc2cc(Cl)ccc2c1=O	514385141	ZPXJDBNGBIUXOV-MRXNPFEDSA-N	526.105	3.829	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)c1	514292567	LUGGONMVRHPELB-KRWDZBQOSA-N	534.683	3.790	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1	514384342	OOGURAPOBOLHLR-VQTJNVASSA-N	550.703	3.633	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCN(Cc4ccc(Cl)cc4)CC3)CC2)cc1	514391574	LSLXRVLGDVOIGO-UHFFFAOYSA-N	518.079	3.678	0	20	KHAD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2	514395695	QOTHXPBDSQAMQA-GOSISDBHSA-N	596.735	3.638	0	20	KHAD	
O=C(c1cnc2snnc2c1)N1CC[C@]2(C1)CN(C(=O)c1sc3ccccc3c1Cl)CCO2	1780069764	AKJBJZWEOOQXBX-QFIPXVFZSA-N	500.005	3.712	0	20	KHAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1	514293325	QDMMQBOFLAGCSO-UHFFFAOYSA-N	519.023	3.748	0	20	KHAD	
Cc1cc(C(=O)CSc2nnc(CCC(N)=O)n2CC(C)C)c(C)n1C[C@H]1COc2ccccc2O1	514300433	OQCHKUBQEDRMAO-IBGZPJMESA-N	511.648	3.585	0	20	KHAD	
Cc1sc2nc(S[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)n(C3CCCC3)c(=O)c2c1C	514374802	HOTVHPRNWBIVPE-AWEZNQCLSA-N	506.675	3.957	0	20	KHAD	
O=C(c1nccnc1-c1nc2ccccc2s1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1	514378244	KFXHTUTVPJJRGY-UHFFFAOYSA-N	500.005	3.553	0	20	KHAD	
COCCN(C(=O)CSc1nc2ccccc2n1CCC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514292078	KRBPGCGJNHFQLJ-UHFFFAOYSA-N	550.685	3.747	0	20	KHAD	
O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	514293080	RNKIBZZPGRXTGO-MOPGFXCFSA-N	524.734	3.626	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(NCCc3ccc(OC)c(OC)c3)s2)sc(C(=O)NC)c1C	514293252	SUNAZVJQBJSVIY-UHFFFAOYSA-N	579.726	3.847	0	20	KHAD	
CCOc1cc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)ccc1OC(F)F	514296272	HCDNGNDUSWMOHX-GOSISDBHSA-N	537.585	3.903	0	20	KHAD	
CCCCN(C(=O)CSc1nc2sc(C)c(CC)c2c(=O)n1C[C@H]1CCCO1)c1c(O)nc(=O)n(CCC)c1N	514375784	VUXYIOKKAMISJA-QGZVFWFLSA-N	590.772	3.688	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)s1	514393100	NQAIVHPYQMDJKB-SFHVURJKSA-N	518.126	3.600	0	20	KHAD	
COc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)cc1S(=O)(=O)N1CCCc2ccccc21	514402475	JXRSFPBJYDVZSS-DEOSSOPVSA-N	539.654	3.541	0	20	KHAD	
COc1ccc(F)cc1CN1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)CC1	514405799	ZJVUQLCMFYGJDX-QHCPKHFHSA-N	543.640	3.847	0	20	KHAD	
Cc1cn2c(=O)c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3ccccc3Cl)CC4)cnc2s1	1818511577	QRLQHHKVMYADOI-LBPRGKRZSA-N	500.005	3.714	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)nnc12	514302991	IECICYCKNBZTBM-MSOLQXFVSA-N	537.642	3.600	0	20	KHAD	
O=C(CSc1nnc(N2CCCCC2)n1Cc1ccco1)NCC(=O)Nc1ccccc1Br	514392900	HDJWWTSUVGKOAP-UHFFFAOYSA-N	533.452	3.519	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccc(OC)cc2)CC1	514402540	BZSTTXAEGLBBHL-GOSISDBHSA-N	509.628	3.736	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)n2CC)cc1	514295492	BTLVVGJIEKSWNJ-OAQYLSRUSA-N	507.726	3.575	0	20	KHAD	
CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@H](C)C3)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514375594	SPNUSOWBIVLOHT-AZUAARDMSA-N	636.800	3.800	0	20	KHAD	
COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCCC3)c2)cc1	514376063	AXMFKECXHBLQMG-UHFFFAOYSA-N	628.773	3.784	0	20	KHAD	
COC(=O)C1CCN(C(=O)COc2c(Br)cc(Br)cc2Br)CC1	514388124	PHYAUEGEPHSIDG-UHFFFAOYSA-N	514.008	3.765	0	20	KHAD	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c2)C1	514400858	CNYHUZKXLRUPNW-KDURUIRLSA-N	527.643	3.573	0	20	KHAD	
O=C1CSc2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3ccncc3Cl)CC4)ccc2N1	1816972792	FXXFGSUQUABPED-LBPRGKRZSA-N	500.005	3.775	0	20	KHAD	
CCn1c(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514291880	JTWBLUUZOBTFFQ-UHFFFAOYSA-N	539.731	3.834	0	20	KHAD	
C[C@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1	514293359	QQWDSRRVVNYZKG-FQEVSTJZSA-N	573.716	3.647	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1c(O)nc(=O)n(CCCC)c1N	514379320	QFJUJTCXPYORKR-NRFANRHFSA-N	606.790	3.543	0	20	KHAD	
CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1	514382938	CANXGUGGXYRDEJ-NOZRDPDXSA-N	570.737	3.544	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCC(C(=O)N4CCCCC4)CC3)cc2)cc1	514405285	VPFAHZMIKYMYOW-UHFFFAOYSA-N	543.686	3.540	0	20	KHAD	
Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(-c3ccccc3Cl)[nH]n1)CC2	1817604403	LKKPDHCOCUPPAS-LLVKDONJSA-N	500.009	3.886	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3snnc3C3CC3)sc2C1)c1c[nH]c2nccc-2c1Cl	1817833796	CKTGJMBQCFMWGZ-JTQLQIEISA-N	500.009	3.893	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)n1CCN1CCOCC1)N(C)C	514293304	PXXXYIBFHMDIGP-ZCYQVOJMSA-N	582.771	3.856	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	514296240	KWMRNDSLSYLZDE-HXUWFJFHSA-N	550.077	3.639	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)Nc1nc(CN2CCC(C)CC2)cs1)c1c(O)nc(=O)n(CCCC)c1N	514297449	WEVBTHHJTIEBBK-UHFFFAOYSA-N	561.753	3.962	0	20	KHAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)CC1	514304737	YDDVMJDTDYPKPH-UHFFFAOYSA-N	504.660	3.582	0	20	KHAD	
O=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1	514388552	PCXBRGJWQYMGMX-UHFFFAOYSA-N	532.087	3.940	0	20	KHAD	
C[C@@H](Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)C(=O)NC(c1ccccc1)c1ccccc1	514393325	WUCUYIFPAKGAST-OFNKIYASSA-N	507.660	3.680	0	20	KHAD	
CC(=O)N1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)CC1	514395040	BBJNWFUVEOWDHR-HNNXBMFYSA-N	518.437	3.520	0	20	KHAD	
O=C(Cc1ccc(O)cn1)N[C@@H]1CCc2nc(NC(=O)c3cc4c(Cl)cncc4s3)sc2C1	1815847259	VSLCRDSKQCSYES-GFCCVEGCSA-N	500.005	3.975	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)n1-c1ccc(OC)cc1)N(C)C	514291333	DEOSXJLACQGONS-XMMPIXPASA-N	620.780	3.963	0	20	KHAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)cc2)C[C@@H](C)O1	514292620	OEMLUELBGPSYQB-GGPKGHCWSA-N	577.754	3.714	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)sc2c1CC(C)(C)NC2(C)C	514298194	WOKPGHIRYHBYCM-UHFFFAOYSA-N	564.759	3.972	0	20	KHAD	
Cc1cc(C)n2nc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCCCCC3)nc2n1	514380827	VEIIENMORQUKRJ-UHFFFAOYSA-N	511.652	3.548	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1c(C)nn(-c3ccccc3)c1C)n2C	514304681	WEJDMBKUTVGIOD-UHFFFAOYSA-N	522.675	3.655	0	20	KHAD	
COc1cc(-c2nnc(CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)o2)cc(OC)c1OC	514386796	CJCCTNAXPILZDN-UHFFFAOYSA-N	543.429	3.576	0	20	KHAD	
Cc1cccc(-n2c(SCCC(=O)Nc3ccc(N4CCCC4=O)cc3)nnc2N2CCOCC2)c1	514393322	WSHAOSFKCZHJAN-UHFFFAOYSA-N	506.632	3.660	0	20	KHAD	
C[C@H](Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)C(=O)NC(c1ccccc1)c1ccccc1	514393324	WUCUYIFPAKGAST-NZQKXSOJSA-N	507.660	3.680	0	20	KHAD	
COCCCn1cnnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1	514293916	XMEGYAOAIOJODR-GOSISDBHSA-N	501.634	3.863	0	20	KHAD	
Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1Sc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3	514298805	GQPLANRJWBOLHD-AWEZNQCLSA-N	512.686	3.889	0	20	KHAD	
Cc1c(NC(=O)[C@@H](C)Sc2nnc(NC(=O)[C@H]3C[C@H]4C=C[C@H]3C4)s2)c(=O)n(-c2ccccc2)n1C	514299087	DGVPYTMQNVUUEH-CVYDXHPNSA-N	510.645	3.606	0	20	KHAD	
COc1ccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc1S(=O)(=O)N1CCCCC1	514374822	IBFIGPYQEZVODW-UHFFFAOYSA-N	540.465	3.634	0	20	KHAD	
CCCn1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1-c1cccc(C)c1	514376668	PQAQHSSYEMMNCG-IBGZPJMESA-N	529.688	3.804	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCCC)c(O)nc1=O	514379913	WWYGTILKWJOJQG-UHFFFAOYSA-N	665.817	3.668	0	20	KHAD	
COc1cc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H](c4nnc5n4CCCCC5)C3)ccc2OC)cc(OC)c1	514403002	VQBGFSLPUGZWBX-FQEVSTJZSA-N	569.684	3.851	0	20	KHAD	
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O	514298079	XTFQFIWOPJQPQM-IZHWHUGBSA-N	535.022	3.589	0	20	KHAD	
COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cc2)c1C	514299134	APMKREZGQIMWHI-UHFFFAOYSA-N	531.657	3.608	0	20	KHAD	
COc1ccc([C@H](CC(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)NC(C)=O)cc1	514301843	DWUSTRNSDUWPQH-FQEVSTJZSA-N	510.616	3.600	0	20	KHAD	
CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1CCCC)c1c(O)nc(=O)n(CC(C)C)c1N	514375473	RHMSKJWTWTTYTE-UHFFFAOYSA-N	528.679	3.623	0	20	KHAD	
C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	514388452	TZXFUKOTGOJIDT-HNNXBMFYSA-N	500.468	3.890	0	20	KHAD	
CCCC[C@@H](Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)C(=O)Nc1cc(C)on1	514393177	PZXIZCFHVVOTDC-HXUWFJFHSA-N	521.665	3.663	0	20	KHAD	
CCOCCCNC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccccc1Cl	514396006	ZDCHCTHMUFBHLZ-IBGZPJMESA-N	594.159	3.632	0	20	KHAD	
CCS(=O)(=O)N1CCc2cc(/C(O)=C(/C(=S)NCCc3cccs3)[n+]3ccccc3)ccc21	727814814	QRFYZQZZKMAQBR-UHFFFAOYSA-O	500.691	3.791	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)NCC(=O)Nc3c(C)cccc3C)o2)c1	514293814	WGVMCJCTBASAIC-GOSISDBHSA-N	545.687	3.619	0	20	KHAD	
O=C(CSc1nc(-c2cccs2)nc2ccccc12)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514302238	NFLGLUJGXUIGFI-DLBZAZTESA-N	503.671	3.645	0	20	KHAD	
C[C@@H](c1nnc(SCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(Cl)cc1)N(C)C	514390537	NIOLYSPZLPUINS-SFHVURJKSA-N	552.122	3.735	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)nnc1-c1ccc(OC)c(OC)c1	514395896	WPRHRVFYWAOISI-UYAOXDASSA-N	542.658	3.778	0	20	KHAD	
CC[C@H](C)n1c(SCC(=O)Nc2cc(C)no2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514402220	LVZRCKSBDPTAAU-INIZCTEOSA-N	506.654	3.974	0	20	KHAD	
Nc1nc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(-c4ccc(Cl)cc4)[nH]n2)CC3)cs1	1815132653	QYLJVYDPXGTGDD-LBPRGKRZSA-N	500.009	3.765	0	20	KHAD	
O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514292649	NLEAGRWWWLSZSI-UHFFFAOYSA-N	581.764	3.965	0	20	KHAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	514376585	OJYQHSKPFDQAIE-WMZHIEFXSA-N	524.039	3.793	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	514379925	FEPDNBJUQRNUSK-QFIPXVFZSA-N	575.131	3.842	0	20	KHAD	
CCCCn1c(CCC(=O)NCCc2ccc(OC)cc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514380765	PQCHRKODTXLTBG-UHFFFAOYSA-N	512.676	3.921	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(=O)Nc3ccccc3)n2[C@H](C)COC)c1	514402748	MENKTKCFXDKWAZ-GOSISDBHSA-N	560.702	3.623	0	20	KHAD	
Nc1ncc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(-c4ccccc4Cl)[nH]n2)CC3)s1	1815192692	BRLQMFFSAPIFPP-JTQLQIEISA-N	500.009	3.765	0	20	KHAD	
CCn1c(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292989	QDFKQNUJBNXWPB-UHFFFAOYSA-N	581.768	3.605	0	20	KHAD	
O=S(=O)(c1cccc(-c2nnc(SC[C@H]3CCCCO3)n2Cc2ccccc2)c1)N1CCOCC1	514294389	YOFVTZLQMQEKGK-JOCHJYFZSA-N	514.673	3.676	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(CCC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514294890	CYLWUDAHRCKPDS-UHFFFAOYSA-N	567.712	3.755	0	20	KHAD	
CCCN(C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1	514395608	OHMLRRGJXKTEFZ-OXQOHEQNSA-N	564.531	3.998	0	20	KHAD	
CC(C)CCN(C(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514377568	AFGQVJVNGZPVRR-UHFFFAOYSA-N	615.760	3.933	0	20	KHAD	
COc1ccccc1-n1c(SCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)nnc1N1CCCCC1	514384813	XWXZGDFBBREMGT-NRFANRHFSA-N	547.747	3.707	0	20	KHAD	
C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1	514402987	VBRNNQRCDQKPII-GDBMZVCRSA-N	549.534	3.534	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc(I)cc2C)c(O)nc1=O	514302688	PRYORROOCTVDLF-UHFFFAOYSA-N	569.444	3.652	0	20	KHAD	
COCCN(C(=O)CSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCOC)c1c(O)nc(=O)n(CC(C)C)c1N	514374889	HEPBLAVRISCBTG-UHFFFAOYSA-N	649.195	3.697	0	20	KHAD	
COC(=O)c1ccc(-c2csc(NC(=O)[C@H](CCSC)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)n2)cc1	514387018	CNQSSVWSAMYUCJ-LNLFQRSKSA-N	501.630	3.832	0	20	KHAD	
CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)n1CCN1CCOCC1)N(C)C	514387637	GXQVCSPFOTWXPU-PXNSSMCTSA-N	539.544	3.813	0	20	KHAD	
COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)c1ccccc1	514388903	UZBAPJHGOHHLON-VGSWGCGISA-N	500.646	3.581	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N2CCC(NC(=O)c3ccccc3)CC2)c1	514392429	VXVFOBXEMFAFNA-GOSISDBHSA-N	521.083	3.592	0	20	KHAD	
CCOC(=O)c1ccsc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1	514405670	XLMZDXOIWKAJBS-UHFFFAOYSA-N	536.657	3.880	0	20	KHAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	514376587	OJYQHSKPFDQAIE-XXBNENTESA-N	524.039	3.793	0	20	KHAD	
Cn1c(COc2ccccc2Cl)nnc1SCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21	514389791	MRIZSMAFSIIGAT-UHFFFAOYSA-N	562.117	3.904	0	20	KHAD	
COC(=O)C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(OC)c(OC)c1	514390108	YGQRVUBACXVIKA-FQEVSTJZSA-N	510.616	3.734	0	20	KHAD	
Cc1cccc(NC(=O)CN2CCN(CC(=O)N[C@H](c3ccc4c(c3)OCCCO4)C(C)C)CC2)c1C	514401144	NMFSKJNFVKEBDZ-LJAQVGFWSA-N	508.663	3.534	0	20	KHAD	
O=C(Nc1ccccc1Br)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514291275	CUKGYZKDKCDVRU-UHFFFAOYSA-N	508.438	3.713	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3sc(C)c(C)c3C(=O)OC)o2)c1	514291280	DMZWJCKJUHWREE-UHFFFAOYSA-N	538.673	3.963	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)CC1	514292319	LZNAUXSGHPTVKE-WMZOPIPTSA-N	533.716	3.798	0	20	KHAD	
CCc1cccc(CC)c1-n1c(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccnc1	514299349	DHVXQRCTNIVEAW-BJKOFHAPSA-N	569.753	3.741	0	20	KHAD	
O=C(Cc1csc(-c2ccccc2)n1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1	514402018	JJIRRVMNXPCJML-OAQYLSRUSA-N	542.683	3.603	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCC[C@@H](C)C3)n2[C@@H](C)COC)c1	514292333	KHQXBZPXWAFWPP-MOPGFXCFSA-N	523.725	3.534	0	20	KHAD	
CCCCn1c(SCC(=O)N(CCC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nnc1[C@@H](CC)N(C)C	514294294	VYVJGMZMKVSMTG-HXUWFJFHSA-N	556.737	3.519	0	20	KHAD	
CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)sc(C)c1C	514303031	JGNLFJAYGPSXLG-UHFFFAOYSA-N	510.634	3.598	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2[C@H](C)COC)c1	514374099	IFRVVNODUUHMTO-GOSISDBHSA-N	577.729	3.931	0	20	KHAD	
COc1cc(OC)c(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc1Cl	514379335	SILMDUXUBOBDPH-UHFFFAOYSA-N	521.039	3.990	0	20	KHAD	
NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)c1	514394724	ZWSKKYBYSTTXON-UHFFFAOYSA-N	539.702	3.803	0	20	KHAD	
COc1cc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H](c4nnc5n4CCCCC5)C3)ccc2OC)cc(OC)c1	514403003	VQBGFSLPUGZWBX-HXUWFJFHSA-N	569.684	3.851	0	20	KHAD	
CC(C)CN(C(=O)CSc1ncnc2sc3c(c12)CCCC3)c1c(O)nc(=O)n(CC(C)C)c1N	514292435	MOGPMNMNDSVZBW-UHFFFAOYSA-N	516.693	3.852	0	20	KHAD	
CCOC(=O)c1ccc(NC(=O)CSCCC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)cc1	514296934	SXISDDIJJAXIMC-UHFFFAOYSA-N	563.698	3.747	0	20	KHAD	
Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C	514299212	CSEQKDYHDAFCQX-UHFFFAOYSA-N	556.729	3.650	0	20	KHAD	
COc1cc(Cl)c(C)cc1-n1c(S[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)nc2ccccc2c1=O	514402721	RLCKVMCXVGEXIP-ZHRRBRCNSA-N	550.102	3.776	0	20	KHAD	
COCCN(C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1)c1c(O)nc(=O)n(CC(C)C)c1N	514295088	IRWBKZBVGVCVAM-UHFFFAOYSA-N	545.065	3.902	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Sc2nnc(N3CCOCC3)n2-c2ccccc2)c1	514299981	JTMYRROAOGQREY-GOSISDBHSA-N	579.148	3.907	0	20	KHAD	
CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N[C@H](c2ccc([C@@H](C)CC)cc2)C(C)C)c(O)nc1=O	514300041	LNGZJYTTXBQPLT-CYFREDJKSA-N	529.682	3.728	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	514376279	FYTAYAHPVDMSDI-JOCHJYFZSA-N	516.664	3.896	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(-c2nnco2)cc1	514382891	XNZJAIWKAVZELH-UHFFFAOYSA-N	500.577	3.716	0	20	KHAD	
CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1F	514291587	GPVIXEFCCSODBT-UHFFFAOYSA-N	545.637	3.564	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1S(=O)(=O)N1CCCCCC1	514292239	JGLPJTZUPWMDON-UHFFFAOYSA-N	523.677	3.541	0	20	KHAD	
CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1	514293377	QDJQQULWZRJWLH-UHFFFAOYSA-N	519.023	3.834	0	20	KHAD	
O=C(Nc1ccccc1I)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	514381647	MSITVQNWZWCBAF-UHFFFAOYSA-N	510.397	3.819	0	20	KHAD	
CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)sc2c1CC(C)(C)NC2(C)C	514403017	OWJIIRNCXFITEB-UHFFFAOYSA-N	591.752	3.910	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1	514293874	ULPUBYCHDVDJIO-LJQANCHMSA-N	534.103	3.862	0	20	KHAD	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1	514301925	HYRGPLSNKAMUQR-HXUWFJFHSA-N	503.669	3.605	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1C)[C@H]1CCS(=O)(=O)C1	514387336	CSAAGGPUHKEXFX-WMZOPIPTSA-N	520.076	3.864	0	20	KHAD	
COc1cc(-c2nnc(SCC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)n2C2CCCCC2)cc(OC)c1OC	514389901	QPZZGOBTTQWDAP-UHFFFAOYSA-N	587.724	3.805	0	20	KHAD	
Nc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(-c5ccccc5Cl)[nH]n4)sc3C2)s1	1821578560	FAIHCQJCGYFQEC-SNVBAGLBSA-N	500.009	3.765	0	20	KHAD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1	514296092	JOVSRTGNQOIQTG-GOSISDBHSA-N	521.536	3.601	0	20	KHAD	
Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2nc3n(c(=O)c12)CCCCC3	514296300	NZRYBJWGUWFBIA-HZPDHXFCSA-N	530.672	3.543	0	20	KHAD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC	514380566	PIQQXDQSQVCEOV-UHFFFAOYSA-N	553.607	3.745	0	20	KHAD	
Cc1ncc(/C=C/C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(Cl)c5nncn5c4)sc3C2)s1	1819681191	JHXQZTZGZLOHTN-LQPUYASZSA-N	500.009	3.543	0	20	KHAD	
CCCCCCC(COC(=O)c1cccnc1)(CN1C=C(C(=O)O)C=CC1)CN1C=C(C(=O)O)C=CC1	1857791612	VKUOODSWHAXWOF-UHFFFAOYSA-N	509.603	3.876	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@@H](O)COc3c(C)cccc3C)n2C)c1	514291184	AKOWKYOQEBNDSD-FQEVSTJZSA-N	504.678	3.661	0	20	KHAD	
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)c1	514378490	GKNQBFPVXSZPAF-UHFFFAOYSA-N	526.659	3.798	0	20	KHAD	
CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O	514379727	XRALQWBKMUFJQJ-UHFFFAOYSA-N	508.575	3.930	0	20	KHAD	
COc1cccc2sc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCCC3)nc12	514383270	FTZCBIUESDUPST-UHFFFAOYSA-N	516.645	3.568	0	20	KHAD	
O=C(CN1CCN(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)CC1)Nc1ccccc1C(F)(F)F	514386557	SJTABKLTWGCWPP-UHFFFAOYSA-N	587.672	3.757	0	20	KHAD	
CC1(C)OC[C@H](COc2cc(I)c(OC[C@H]3COC(C)(C)O3)cc2I)O1	261506786	AWJRFLZWRVYMFJ-RYUDHWBXSA-N	590.192	3.956	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1	514292166	MKYSINMKGHSXBX-UHFFFAOYSA-N	633.620	3.900	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)NCc2ccccc2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514302296	OHYRSTPVSNWSJF-IBGZPJMESA-N	513.689	3.855	0	20	KHAD	
Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)nc(O)c2c1C	514377624	CHOJUHXTTHTUAV-SFHVURJKSA-N	543.715	3.947	0	20	KHAD	
COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)CCC(=O)N2c2ccc(OC)cc2)cc1	514378741	WOSGSDQZUFNGMJ-PDDLMNHVSA-N	609.701	3.856	0	20	KHAD	
COc1ccc(C(=O)N2CCC[C@@H](C(=O)NC[C@@H](c3ccc(C)o3)N3CCOCC3)C2)c2ccccc12	514390240	CONDKHFQZZKTJC-BWKNWUBXSA-N	505.615	3.792	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1	514293945	XVPKZFVHINXDRY-UHFFFAOYSA-N	545.687	3.643	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc([C@H](C)N2CCCCC2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1	514296763	KPSBOMPVWHTQLQ-UNMCSNQZSA-N	519.737	3.578	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCc3ccc(OC)cc3)n2[C@H](C)COC)c1	514375318	NNPRDRWXDHMAGQ-LJQANCHMSA-N	561.730	3.600	0	20	KHAD	
Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)nc(O)c2c1C	514377623	CHOJUHXTTHTUAV-GOSISDBHSA-N	543.715	3.947	0	20	KHAD	
COCCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)nnc1-c1ccccc1Cl	514385497	JLYUMDNQDDBJRU-UHFFFAOYSA-N	567.137	3.682	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)n1-c1ccc(OC)cc1)N(C)C	514291330	DEOSXJLACQGONS-DEOSSOPVSA-N	620.780	3.963	0	20	KHAD	
O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1	514300837	SAFZNXFRFCAOKO-GOSISDBHSA-N	506.049	3.737	0	20	KHAD	
COCCn1c(SCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)nnc1-c1ccncc1	514374935	IIWBIGDIEMTCAB-UHFFFAOYSA-N	544.703	3.671	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)c1	514376713	FROWASJWUUXGAG-LJQANCHMSA-N	537.704	3.850	0	20	KHAD	
COC(=O)c1cc(CNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)ccc1OC	514378266	DMDYGTRNWFBHNQ-UHFFFAOYSA-N	515.415	3.506	0	20	KHAD	
CCc1ccc(OCc2nnc(S[C@@H](C)C(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2)cc1	514391037	DYHDDVXYABPOQV-NZQKXSOJSA-N	542.727	3.984	0	20	KHAD	
COc1ccc(N(CCC(=O)NCc2nnc3n2CCCCC3)S(=O)(=O)c2ccc(C)c(C)c2)cc1	514394397	MFERZYGXICEDAA-UHFFFAOYSA-N	511.648	3.532	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)c1	514404452	DHODSYABWZXJBA-UHFFFAOYSA-N	506.698	3.611	0	20	KHAD	
CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@@H](C)C3)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514375600	SPNUSOWBIVLOHT-UYAOXDASSA-N	636.800	3.800	0	20	KHAD	
CCCCn1c(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514381689	NYNIGEJYVVUADH-GOSISDBHSA-N	580.754	3.592	0	20	KHAD	
CCCCn1c(CCC(=O)NCCc2nc3ccccc3s2)nc2cc(S(=O)(=O)N(C)C)ccc21	514383506	KJILPGZGUDNRJX-UHFFFAOYSA-N	513.689	3.988	0	20	KHAD	
CCc1ccc(OCc2nnc(S[C@H](C)C(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)n2CC(C)C)cc1	514388307	NREXQYJRTJHPOH-UYAOXDASSA-N	508.710	3.592	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514388872	UNCBKBNMJISJTC-CRAIPNDOSA-N	517.698	3.841	0	20	KHAD	
O=C(CSc1ccccc1C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1CCCC1	514390136	YZWBLDYUTYNWNI-UHFFFAOYSA-N	513.685	3.779	0	20	KHAD	
C[C@H](Sc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1	514395400	JMJXDDSKQIWHGZ-NBHGPNQESA-N	557.076	3.980	0	20	KHAD	
CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2	514291026	CFTCPYPWICGZLF-QHCPKHFHSA-N	613.762	3.626	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514293942	VEYDJZMPSOODNQ-OAHLLOKOSA-N	521.068	3.917	0	20	KHAD	
CC(C)CN1CCO[C@H](CNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)C1	514385870	XNJXFPZRYSXJGP-OAQYLSRUSA-N	501.056	3.548	0	20	KHAD	
CC(C)(C)c1cc(NC(=O)CSc2nnc(N3CCOCC3)n2Cc2ccco2)n(-c2ccccc2)n1	514393584	GNESAWQJYLJONO-UHFFFAOYSA-N	521.647	3.970	0	20	KHAD	
Cn1nccc1-c1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccnn2)CC3)sc1Cl	1816061043	LRAXOAWAPXIDRM-NSHDSACASA-N	500.009	3.588	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1	514301884	GCAZWORAEGNZRT-OAQYLSRUSA-N	592.788	3.752	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1	514380643	RFMYJOVMSMJGPF-PMACEKPBSA-N	567.730	3.555	0	20	KHAD	
CCOCCCn1c(S[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc2scc(-c3ccccc3Cl)c2c1=O	514388563	PGUSKRDSZCACAT-HZPDHXFCSA-N	570.158	3.989	0	20	KHAD	
CCn1c(SCCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)nnc1-c1ccco1	514391646	MRTUOMRGRBPAPY-UHFFFAOYSA-N	519.649	3.862	0	20	KHAD	
COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[C@H]2c2ccccc2OC)cc1	514378809	XWIBETOUIWNKQT-FYBSXPHGSA-N	609.701	3.856	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)CNc2ccc(Cl)c(S(=O)(=O)N(CC)c3ccccc3)c2)CC1	514380708	UKILFBNKOIUFSA-UHFFFAOYSA-N	508.040	3.769	0	20	KHAD	
C[C@H]1CCN(C(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c2ccccc2S1	514381835	AFDZUSIUHNINQJ-FQEVSTJZSA-N	530.716	3.637	0	20	KHAD	
CCCCCN(C(=O)CSc1nc2ccccc2c(=O)n1C1CC1)c1c(O)nc(=O)n(CCCC)c1N	514386014	AQEPVKQMVIXUMU-UHFFFAOYSA-N	526.663	3.692	0	20	KHAD	
COc1ccc([C@@H](CNC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)N2CCCCC2)cc1	514391616	NKSUCVIITIVTMP-XMMPIXPASA-N	508.619	3.546	0	20	KHAD	
Nc1ncc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(-c4ccc(Cl)cc4)[nH]n2)CC3)s1	1815193529	YYLMZRBDXADNMG-LBPRGKRZSA-N	500.009	3.765	0	20	KHAD	
CC(C)OC(=O)[C@H](C)N[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(Br)cc1	2048529549	NRUKFQXBVVXJBZ-KCNCLGQISA-N	555.370	3.735	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C	514300209	LSAMFFWKZAKRFM-CVDCTZTESA-N	501.649	3.637	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(Cc3ccccc3)c1N)n2CC(C)C	514378082	QWZUQUJWPMNZJU-UHFFFAOYSA-N	640.745	3.814	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)c12	514383622	HSDPMGGJSZMRIT-IBGZPJMESA-N	521.643	3.855	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	514388910	VBXWIXRJZVMWMB-PKOBYXMFSA-N	502.637	3.649	0	20	KHAD	
CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N(CC)CC	514293597	SUBNSPLFDFYIQN-UHFFFAOYSA-N	503.042	3.572	0	20	KHAD	
CC(C)CCN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514297671	YVPDVVWKWIPFRW-QHCPKHFHSA-N	506.603	3.830	0	20	KHAD	
C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2)C(=O)NC1CCCCC1	514374364	APFOJSWXYGAZEN-HXUWFJFHSA-N	613.762	3.673	0	20	KHAD	
CCn1c(CCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514380063	IOUHZZQGEMJDRV-UHFFFAOYSA-N	582.148	3.706	0	20	KHAD	
CCCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2OC)n1-c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1	514395528	MNXANMGAMDYNNF-QUCCMNQESA-N	544.699	3.858	0	20	KHAD	
CC(C)Cn1c(CCC(N)=O)nnc1SC[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1	514400929	FLTPNFRRVXEQGL-OAQYLSRUSA-N	504.603	3.889	0	20	KHAD	
C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	514402605	PPXLQGZGNVOJEO-CYBMUJFWSA-N	526.986	3.650	0	20	KHAD	
Cn1ccc(=O)cc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4c(Cl)cncc4s3)sc2C1	1815846973	RVRBDFQBZZJIAO-LLVKDONJSA-N	500.005	3.645	0	20	KHAD	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCC(=O)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	2382215050	HJDZOFSHRWNYIO-MZZRCDJFSA-N	753.919	3.530	0	20	KHAD	
CCn1c(SCc2nc(O)c3ccc(C(=O)OC)cc3n2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514382578	QPOZBOHLQPBLSQ-UHFFFAOYSA-N	541.655	3.959	0	20	KHAD	
O=S(=O)(c1cccc(-c2nnc(SCCN3CCCCC3)n2C2CCCC2)c1)N1CCOCC1	514382887	BLHNFDKQBKRVLM-UHFFFAOYSA-N	505.710	3.659	0	20	KHAD	
COc1ccc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1S(=O)(=O)N1CCCC1	514391067	YTUWHBKSEDZEAI-UHFFFAOYSA-N	525.593	3.847	0	20	KHAD	
COCCn1c(S[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)nc2scc(-c3ccccc3Cl)c2c1=O	514395672	QBVGYFGLTYSNIJ-CABCVRRESA-N	535.091	3.629	0	20	KHAD	
CCCCn1c(CCC(=O)NCc2cc(OC)c(OC)c(OC)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514401030	JJYNDOWOBFCYJI-UHFFFAOYSA-N	558.701	3.896	0	20	KHAD	
CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514402370	GXOKHQFYZIXHLV-UHFFFAOYSA-N	553.504	3.879	0	20	KHAD	
CCS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)cc1	514402745	MAAPDMSXZQQUFG-UHFFFAOYSA-N	519.689	3.897	0	20	KHAD	
NC(=O)CSc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3	514404705	JIZMPEPIJDFXQH-HNNXBMFYSA-N	544.724	3.824	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1ccccc1C(F)(F)F	514298167	ZJNBGTFKUSBWIY-UHFFFAOYSA-N	514.570	3.623	0	20	KHAD	
COc1ccc(Br)cc1S(=O)(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C	514298283	ZEGSFFPLFGXJAM-UHFFFAOYSA-N	503.440	3.742	0	20	KHAD	
O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514299883	JRFPFDWYCOXWSP-RTBURBONSA-N	565.783	3.739	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)n2C)cc1	514301157	VTDXNYKONUJNSQ-QFIPXVFZSA-N	519.737	3.769	0	20	KHAD	
CCOCCCn1c(S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)nc2scc(-c3ccccc3Cl)c2c1=O	514388561	PGUSKRDSZCACAT-CVEARBPZSA-N	570.158	3.989	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N3CCC(CCc4ccc(O)cc4)CC3)CC2)c(C(=O)OC)c1C	514392770	BCQILJFJNZGXIB-UHFFFAOYSA-N	592.736	3.607	0	20	KHAD	
Cc1c(Cl)cccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)nc4sccn34)sc2C1	1821150857	BPIOATQUJNRYKD-LBPRGKRZSA-N	500.005	3.714	0	20	KHAD	
COc1ccc(CCNc2nnc(SCC(=O)NCC(=O)Nc3c(C)cc(C)cc3C)s2)cc1OC	514290898	CRBQOFCYJSZMJV-UHFFFAOYSA-N	529.688	3.982	0	20	KHAD	
Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2CC(C)C)cc1S(=O)(=O)N1CCOCC1	514374877	HANKDDAXSDNTTO-SFHVURJKSA-N	533.676	3.643	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2CC(C)C)CC1	514291488	FTEMOVYUTPBMJW-UHFFFAOYSA-N	565.762	3.525	0	20	KHAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	514376162	CYZXKLAOZMITAA-UHFFFAOYSA-N	511.566	3.690	0	20	KHAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1	514380711	ULXXSNRFTMVWMX-UHFFFAOYSA-N	512.053	3.551	0	20	KHAD	
Cc1ccc(-c2csc3nc(SCC(=O)N4CCCC[C@H]4C(N)=O)n(C[C@H]4CCCO4)c(=O)c23)cc1	514391899	SETCWXRSEDMPFC-QUCCMNQESA-N	526.684	3.571	0	20	KHAD	
CCn1c(SCC(=O)NCc2ccccc2CN2CCOCC2)nc2sc3c(c2c1=O)CCCC3	514401066	KXWOCTPCVCXGAK-UHFFFAOYSA-N	512.701	3.597	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCc1ccc(OC(F)F)cc1)n2CC	514404037	WHLCPOZZUBUOMS-UHFFFAOYSA-N	522.618	3.980	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCOC)cc1S(=O)(=O)N(CC)CC	514404210	CEEHGRFCJZMKEU-UHFFFAOYSA-N	562.714	3.593	0	20	KHAD	
O=S(=O)(c1cccc(-c2nnc(SC[C@@H]3CCCCO3)n2Cc2ccccc2)c1)N1CCOCC1	514294390	YOFVTZLQMQEKGK-QFIPXVFZSA-N	514.673	3.676	0	20	KHAD	
COc1ccc(CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC	514295932	GUCKUBCITVQMLW-MRXNPFEDSA-N	507.461	3.727	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2Cc2ccco2)c1	514392947	IKFDSQSGBBWVND-UHFFFAOYSA-N	546.719	3.917	0	20	KHAD	
O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1	514394063	HDQBEBXJNAECSM-QFIPXVFZSA-N	500.621	3.804	0	20	KHAD	
CCCCSc1nnc(S[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)s1	514402482	JYCOEFHRLGAXEP-OAHLLOKOSA-N	516.736	3.879	0	20	KHAD	
O=C(Nc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1)NC1CC1	514402614	PSBAAKDOQASCID-CYBMUJFWSA-N	527.466	3.834	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)CC1	514404436	HIQBUANQVFRAKW-UHFFFAOYSA-N	508.600	3.616	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)nc4n[nH]cc34)sc2C1)c1scnc1C1CC1	1816063436	LFERUKVDLPBHEC-SNVBAGLBSA-N	500.009	3.941	0	20	KHAD	
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC	514291850	JMOIHVANQVJUCN-UHFFFAOYSA-N	529.688	3.803	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)n2-c2ccccc2)cc1	514299355	DILODBOZXTYBJP-HSZRJFAPSA-N	527.716	3.908	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514301377	YUSZHIXZGSJXFQ-UHFFFAOYSA-N	565.725	3.939	0	20	KHAD	
CCOc1ccc(-n2c(SCC(=O)N(CC)CC(=O)NC(C)C)nnc2-c2cc(OC)c(OC)c(OC)c2)cc1	514402816	FKHFBUSMPKGTEE-UHFFFAOYSA-N	571.700	3.824	0	20	KHAD	
CCn1c(CSc2nnnn2-c2ccccc2OC)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514404579	IQMRGEMTQMYEFY-UHFFFAOYSA-N	513.649	3.507	0	20	KHAD	
CCOC(=O)c1sc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1C	514381892	AWMLHBFNWSYAKW-HNNXBMFYSA-N	502.618	3.776	0	20	KHAD	
COC(=O)C[C@H](NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc(OC)c(OC)c1	514389855	PHIJOAXGFYADBS-PWHSHALESA-N	512.603	3.906	0	20	KHAD	
COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(N3CCOCC3)n2C2CC2)cc1	514392923	HPKMMYHNOZJQHJ-KRWDZBQOSA-N	522.631	3.830	0	20	KHAD	
CCCn1c(CCC(=O)N(C)Cc2nccn2C(F)F)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514402010	JCBDAOSJBFLLRP-UHFFFAOYSA-N	510.611	3.660	0	20	KHAD	
CCOc1ccc([C@H](NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C(C)C)cc1OCC	514390092	XOBGYGCPOKWQKZ-HHHXNRCGSA-N	534.675	3.570	0	20	KHAD	
O=C(CCN1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	514392148	RICUWUXRHUQJKO-LJQANCHMSA-N	519.067	3.804	0	20	KHAD	
CCN(CC)C(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@@H](C)COC	514394738	RJJFGNFDJYBFRS-ROUUACIJSA-N	511.714	3.532	0	20	KHAD	
CCCn1c(CSc2nnc(-c3ccco3)n2CC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514404447	CTZVEMFAMKJPBX-UHFFFAOYSA-N	516.649	3.631	0	20	KHAD	
CCOC(=O)Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)n1	514300984	UKPSTADSOJMUOF-UHFFFAOYSA-N	595.335	3.813	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)CC2)cc1	514301854	FAWAOSWNMWEDKO-QHCPKHFHSA-N	505.706	3.747	0	20	KHAD	
C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21	514392313	UQJSSYDYYAVFEH-HNNXBMFYSA-N	531.560	3.947	0	20	KHAD	
COc1ccc(CCn2c(C)cc(C(=O)CSc3nnc(CCC(N)=O)n3C[C@H]3CCCO3)c2C)cc1OC	514395373	JBUNPMUOOHHXML-OAQYLSRUSA-N	555.701	3.528	0	20	KHAD	
CC(C)c1nc(N(C)S(=O)(=O)CC(C)(C)O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C	504726326	FRRVCWOXOGDOIJ-WRBWEIJPSA-N	595.734	3.800	0	20	KHAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1	514293653	UMAOLGWPLJKQRD-JWQCQUIFSA-N	586.732	3.946	0	20	KHAD	
C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccc(Br)cc1	514294076	VJZZUNPTVRNSFE-MRXNPFEDSA-N	523.449	3.889	0	20	KHAD	
CCCCn1c(N)c(N(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccccc2)C2CCCC2)c(O)nc1=O	514386511	QSULAVUMYFMTRC-UHFFFAOYSA-N	580.759	3.966	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2cc(C3CC3)nc3onc(C)c23)c(O)nc1=O	514393707	JQNOQVFBUWJVEF-UHFFFAOYSA-N	518.574	3.909	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)n2C)c1	514376109	BUEFFHIVFQPWPC-RYLXDESZSA-N	505.710	3.546	0	20	KHAD	
COc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C	514393792	KTXKXUBQVFKHFB-XLIONFOSSA-N	514.648	3.504	0	20	KHAD	
CC(=O)O[C@@H]1[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@H](Sc2ccccc2)O[C@@H]1COC(=O)c1ccccc1	137844885	VHTJDGRGBFUZBL-QTDWVDHPSA-N	522.575	3.879	0	20	KHAD	
O=C(CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	514293905	XGKMMZCHRGHGBB-UXHICEINSA-N	579.810	3.956	0	20	KHAD	
COc1ccc(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1	514391621	NOFZYHSFWQYELU-UHFFFAOYSA-N	572.480	3.851	0	20	KHAD	
CC(C)[C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1	514403168	WIAFHCIVQSWWIY-CVDCTZTESA-N	520.080	3.793	0	20	KHAD	
O=C(NC[C@H](O)CN(C(=O)c1ccc(Cl)s1)c1ccc(N2CCOCC2=O)cc1)c1ccc(Cl)s1	2048532279	UUFNOGCQKQQTAC-INIZCTEOSA-N	554.477	3.917	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(C(C)C)cc3)CC2)c(C(=O)OC)c1C	514291231	BTVNVYCVPDZWLN-UHFFFAOYSA-N	550.699	3.513	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N)c1c(O)nc(=O)n(CCCC)c1N	514296184	MWHBSSMFWANKGD-UHFFFAOYSA-N	638.770	3.513	0	20	KHAD	
CC(C)CCn1c(COc2ccccc2)nnc1SCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1	514301893	GJDQWEWQUHDLPL-UHFFFAOYSA-N	537.686	3.784	0	20	KHAD	
COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1	514376699	FLRFVQLYJWBGLY-UHFFFAOYSA-N	519.689	3.747	0	20	KHAD	
C[C@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)N(C)CCOc1ccc(Cl)cc1	514395846	VOSLKJLYPMXXIG-IBGZPJMESA-N	516.067	3.834	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1	514400822	BLECFNGWWQDBIZ-DEOSSOPVSA-N	516.689	3.604	0	20	KHAD	
COc1ccccc1C(=O)Nc1cc2c(cc1N1CCN(C(=O)OC(C)(C)C)C[C@H]1C)n(C)c(=O)n2C	725326698	OEOPBOZWIQKZKP-QGZVFWFLSA-N	509.607	3.584	0	20	KHAD	
CC(C)COC[C@@H](O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@@H](C)c1ccccc1	514295004	GZWGOSDGRYPPJT-XUZZJYLKSA-N	560.742	3.701	0	20	KHAD	
CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)c2)cc1	514296306	JNMPJURLEAKBJE-UHFFFAOYSA-N	527.687	3.849	0	20	KHAD	
CC[C@H](c1nnc(SCc2nc(O)c3c(-c4ccco4)csc3n2)n1CCN1CCOCC1)N(C)C	514299607	HBJRIZQNFOLYFK-QGZVFWFLSA-N	529.692	3.886	0	20	KHAD	
CCOc1ccc(-n2c(S[C@H](C)C(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2)cc1	514388629	RPXVJNVEETWKLR-WIYYLYMNSA-N	514.673	3.849	0	20	KHAD	
COc1cc(OC)cc([C@H](NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)c2nccn2C)c1	514395295	HLTLCDYGPUKTFI-KOSHJBKYSA-N	512.632	3.520	0	20	KHAD	
C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1	514402992	VBRNNQRCDQKPII-ZBFHGGJFSA-N	549.534	3.534	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1snnc1C1CC1)CC2)c1cn2c(Cl)cccc2n1	1818123349	QFJGXPNKASBLSX-NSHDSACASA-N	500.009	3.713	0	20	KHAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1	514293652	UMAOLGWPLJKQRD-DQEYMECFSA-N	586.732	3.946	0	20	KHAD	
Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1	514295604	IUBLEGRSIIPTFT-QZTJIDSGSA-N	513.616	3.850	0	20	KHAD	
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1	514297100	RXOPQNYLKAYGMB-UHFFFAOYSA-N	553.710	3.774	0	20	KHAD	
O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514387262	DXJPOGRISXKOEL-QFIPXVFZSA-N	519.664	3.804	0	20	KHAD	
CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1	514392133	RHJOLMNFABHCIM-JOCHJYFZSA-N	507.660	3.703	0	20	KHAD	
Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnc(Cl)s4)sc3C2)c(-n2nccn2)c1	1820785699	QNZRMFIANQSVQD-LBPRGKRZSA-N	500.009	3.682	0	20	KHAD	
Cn1ccc(=O)cc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3c(Cl)cncc3s1)CC2	1821309874	ZDPRYILHACBUHG-LLVKDONJSA-N	500.005	3.645	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2[C@@H](C)COC)c1	514291583	GPMUIRBYEBNYQJ-SFHVURJKSA-N	575.713	3.685	0	20	KHAD	
Cc1c(NC(=O)[C@H](C)SCC(=O)N2CCN(Cc3ccc(Br)s3)CC2)c(=O)n(-c2ccccc2)n1C	514300552	YMZKHAQOQBXSHL-SFHVURJKSA-N	592.585	3.713	0	20	KHAD	
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nnc([C@H](CC)N(C)C)n2CCN2CCOCC2)nc1C	514374351	AJDIPRMEZMIRCQ-QHCPKHFHSA-N	615.826	3.890	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)sc(C(=O)N(C)C)c1C	514374374	BBASZYVMTRUHEM-UHFFFAOYSA-N	609.752	3.746	0	20	KHAD	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1	514390720	ASRZDFCYXLSWGP-UHFFFAOYSA-N	513.689	3.526	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1	514393821	LROOFBLTTFURDL-UHFFFAOYSA-N	544.095	3.773	0	20	KHAD	
CCCOc1c(Br)cc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1OC	514394301	SNELTCCFOBEBRL-UHFFFAOYSA-N	506.397	3.770	0	20	KHAD	
COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CCCN(C(=O)c4cccc(C)c4)CC3)cc2)c1C	514403204	XBAFOVPQTSSKPB-UHFFFAOYSA-N	502.615	3.891	0	20	KHAD	
CN(C)S(=O)(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)ccc1Cl	514403330	SZEWHVNHIPHHRQ-UHFFFAOYSA-N	570.011	3.528	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)c3ccccc3)n2[C@@H](C)COC)c1	514374257	PBYTXJDCRNZHCT-IBGZPJMESA-N	531.704	3.938	0	20	KHAD	
CCCCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)nnc1[C@@H](CC)N(C)C	514376000	YZSYAMFEIYXCEE-YLJYHZDGSA-N	510.730	3.897	0	20	KHAD	
COc1ccccc1-n1c(SCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)nnc1N1CCCCC1	514386524	RDNYMVHYIPQSML-UHFFFAOYSA-N	577.755	3.758	0	20	KHAD	
CC1CCN(CCCNC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)CC1	514390387	IKGOTNMIMLTCMX-UHFFFAOYSA-N	565.372	3.851	0	20	KHAD	
COc1ccc(CCC2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)CC2)cc1	514405381	UTHFLYUPDGIISN-UHFFFAOYSA-N	530.687	3.985	0	20	KHAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@H]3CCCO3)CC2)cc1	514293683	VQMBRSYEPWFNSF-RUZDIDTESA-N	555.697	3.553	0	20	KHAD	
O=C(CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	514293899	XGKMMZCHRGHGBB-PMACEKPBSA-N	579.810	3.956	0	20	KHAD	
CC(C)Cn1c(CCC(N)=O)nnc1SCc1ccc(CSc2nnc(CCC(N)=O)n2CC(C)C)cc1	514300428	ONSYQUVCXFVRMQ-UHFFFAOYSA-N	558.778	3.602	0	20	KHAD	
CC(=O)NCc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2CCCN(C)C)CCCC4)s1	514301338	ZKMKIFACCDVZET-UHFFFAOYSA-N	518.730	3.961	0	20	KHAD	
COc1ccc(CC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1S(=O)(=O)N1CCOCC1	514383220	DZULCNVBGVTEMU-CVPOSYFSSA-N	532.662	3.672	0	20	KHAD	
Cn1nc(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCCC2)c2ccccc2c1=O	514384046	KMZBMGFOEYEYET-UHFFFAOYSA-N	537.686	3.670	0	20	KHAD	
Cc1ccc(-c2csc3nc(SCC(=O)N4CCCC[C@@H]4C(N)=O)n(C[C@H]4CCCO4)c(=O)c23)cc1	514391900	SETCWXRSEDMPFC-UYAOXDASSA-N	526.684	3.571	0	20	KHAD	
Cc1nn(C)c2sc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCCCC3)cc12	514392852	FBLFWXAYTPYKPE-UHFFFAOYSA-N	517.677	3.597	0	20	KHAD	
CC(=O)N(c1nc(CSc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)cs1)c1ccc(C)cc1C	514394793	SSSTWETUZDZDFU-LJQANCHMSA-N	514.677	3.925	0	20	KHAD	
C[C@@H](c1nnc(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(Cl)cc1)N(C)C	514291294	CSYIOSCARIUEKK-ZWKOTPCHSA-N	579.148	3.684	0	20	KHAD	
CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1	514292324	MCJRDLGMXJKETE-HNAYVOBHSA-N	513.664	3.859	0	20	KHAD	
COc1ccc2c(C)cc3nnc(SCC(=O)N(C4CCCCC4)[C@@H]4CCS(=O)(=O)C4)n3c2c1	514375587	SEEYZTCWHKGTCS-GOSISDBHSA-N	502.662	3.640	0	20	KHAD	
CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cccnc3SCc3c(C)noc3C)c2)CC1	514384017	JPGASDJYNTUOLJ-UHFFFAOYSA-N	515.661	3.557	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)nnc1-c1ccc(OC)c(OC)c1	514301867	FMJIXVKTOFJWMH-SFHVURJKSA-N	577.729	3.805	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Sc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)c1	514376242	DTAFNPPNFSZDAT-AWEZNQCLSA-N	575.134	3.881	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1	514377214	NIRQFUZSPYNBSE-UHFFFAOYSA-N	523.677	3.543	0	20	KHAD	
O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514385078	ZJXIJXDBBLQYHW-SFTDATJTSA-N	561.129	3.934	0	20	KHAD	
C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	514387067	AUOVMWWMAPIRTN-MNOVXSKESA-N	500.574	3.568	0	20	KHAD	
COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(N3CCOCC3)n2C2CC2)cc1	514392924	HPKMMYHNOZJQHJ-QGZVFWFLSA-N	522.631	3.830	0	20	KHAD	
CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1nnc(CCC(N)=O)n1C[C@H]1CCCO1	514394049	GVYQROGNSHZHNN-QGZVFWFLSA-N	543.671	3.511	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3snnc3C3CC3)sc2C1)c1cn2c(Cl)cccc2n1	1817834958	FNYLXIOSUQIQLE-LLVKDONJSA-N	500.009	3.713	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(-n3nc(C)c(CCC(=O)OC)c3C)cc2)c1	514299216	CWHIAAGEEYAAMA-UHFFFAOYSA-N	597.738	3.714	0	20	KHAD	
CCCCNS(=O)(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1	514384702	UNUBVNPJCROELA-UHFFFAOYSA-N	547.621	3.823	0	20	KHAD	
Cc1cccc(-n2c(S[C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nc3cc(Cl)ccc3c2=O)c1C	514387694	ITAAYDOJGWPEQP-FUHWJXTLSA-N	520.076	3.782	0	20	KHAD	
O=C(NC1CC1)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cc1	514391764	OBZRKDOXAVBEAT-UHFFFAOYSA-N	510.660	3.996	0	20	KHAD	
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1	514394803	SXKXSPNCISNKQH-WOJBJXKFSA-N	523.659	3.924	0	20	KHAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1CCC(N)=O	514401851	GTSORWZMBIOFSY-ZDUSSCGKSA-N	527.525	3.577	0	20	KHAD	
Cc1cc(C)c(NC(=O)CNc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c(C)c1	514380836	VKPMCEQHOPOPCN-UHFFFAOYSA-N	500.665	3.674	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(NCc2ccc(OC)cc2)s1)c1c(O)nc(=O)n(CC(C)C)c1N	514390134	YZENZVMHODBIIO-UHFFFAOYSA-N	547.707	3.585	0	20	KHAD	
CCOC(=O)CCN(C(=O)c1ccc(NC)c(NC(=O)CNc2ccc(C#N)cc2)c1)c1ccccn1	22011573	YSRISVJGBBRNHY-UHFFFAOYSA-N	500.559	3.646	0	20	KHAD	in-vitro
COCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(O)nc1=O	514292808	NHJCHTORXKOFDG-UHFFFAOYSA-N	580.995	3.695	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	514297444	WEKBFZMEZFCXHL-SFHVURJKSA-N	590.020	3.793	0	20	KHAD	
COc1ccc(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	514391088	ZOVCVUUKSYFTNN-RHGYRFJNSA-N	514.623	3.754	0	20	KHAD	
COCCn1c(S[C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)nc2ccc(Br)cc2c1=O	514395171	DTGXNYPBPSFXLZ-OAHLLOKOSA-N	550.475	3.662	0	20	KHAD	
CCOc1cc(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)ccc1OCC(=O)N1CCCCC1	514302730	RKFNQOQWKYTSLO-UHFFFAOYSA-N	559.685	3.912	0	20	KHAD	
CCCCN(C(=O)CSc1n[nH]c(-c2ccccc2Br)n1)c1c(O)nc(=O)n(CC(C)C)c1N	514376142	CSAZMPUEUBFAEH-UHFFFAOYSA-N	550.483	3.660	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)Nc3ccc(Br)cc3C)CC2)cc1C	514377891	NJVXQOBYJWDIBQ-UHFFFAOYSA-N	522.465	3.530	0	20	KHAD	
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1	514383849	MPXZONCDNJWELC-UXHICEINSA-N	543.715	3.656	0	20	KHAD	
O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	514293084	RNKIBZZPGRXTGO-RTBURBONSA-N	524.734	3.626	0	20	KHAD	
CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	514380141	GFGNQABMGMNALN-QGZVFWFLSA-N	574.068	3.648	0	20	KHAD	
Cn1ncc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2csc(-c4cccnc4)n2)CC3)c1Cl	1821008779	ASAIUNPIDWGGIA-LBPRGKRZSA-N	500.009	3.588	0	20	KHAD	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNS(=O)(=O)c1ccccc1Cl	16152992	FNSRQSQJANFVAQ-UHFFFAOYSA-N	500.005	3.690	0	20	KHAD	
CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	514295824	FUWGRYNRMRVHLQ-KRWDZBQOSA-N	587.564	3.702	0	20	KHAD	
Cc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C(=O)NCC(C)(C)N1CCCCC1	514297892	WLRBCJICBUEHBR-UHFFFAOYSA-N	539.702	3.588	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)ccc1C	514376290	GNUSVLHHEHFYRZ-UHFFFAOYSA-N	688.854	3.677	0	20	KHAD	
COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(OC)c(S(=O)(=O)N5CCCC5)c4)CC3)cs2)cc1	514390912	BDLOVLDAJCPTTA-UHFFFAOYSA-N	556.710	3.570	0	20	KHAD	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1nnc(N2CCC(C)CC2)n1C[C@H]1CCCO1	514394148	RCPGQQQEVTWZLZ-XMMPIXPASA-N	537.734	3.964	0	20	KHAD	
CCCCn1c(CCC(=O)N(CC)Cc2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514299802	IVXPKUYUDXEYHK-UHFFFAOYSA-N	518.705	3.900	0	20	KHAD	
COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(OC)c(S(=O)(=O)N3CCOCC3)c1)CC2	514377335	RMDUXWJGLRQDAL-AREMUKBSSA-N	558.678	3.583	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1ccc(Br)cc1	514380270	KTMLWDHDNPHMLA-UHFFFAOYSA-N	508.438	3.713	0	20	KHAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CCC)c(O)nc1=O	514385643	PGDBKKMLSYXOBA-UHFFFAOYSA-N	520.059	3.798	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514388873	UNCBKBNMJISJTC-MAUKXSAKSA-N	517.698	3.841	0	20	KHAD	
C[C@H]1C[C@@H](C)CN(c2nnc(SCC(=O)NCc3ccccc3CN3CCOCC3)n2Cc2ccco2)C1	514394199	IWWDILSIDZJJIW-SZPZYZBQSA-N	538.718	3.642	0	20	KHAD	
COc1cccc(NCc2nnc(S[C@@H](C)C(=O)N(C)CC(=O)NC3CC3)n2C2CCCCC2)c1	514395745	RZSBAVHAWCNUCV-KRWDZBQOSA-N	500.669	3.622	0	20	KHAD	
Cc1ccc(-n2c(SCC(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)nnc2N2CCCC2)cc1	514400795	ALIYPMAODLJVHJ-HXUWFJFHSA-N	531.729	3.545	0	20	KHAD	
COc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1S(=O)(=O)N1CCCCCC1	514403237	KMSIBCORXGNCCU-UHFFFAOYSA-N	561.726	3.637	0	20	KHAD	
O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)Nc1ccc(CN2CCOCC2)cc1	514404541	HGARKBUDHCBDOT-UHFFFAOYSA-N	520.703	3.875	0	20	KHAD	
COc1cc(Cl)c(C)cc1NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514296187	IALWYPYIJNQXNH-UHFFFAOYSA-N	551.971	3.670	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)N(C)Cc2ccccc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514374375	ASNPLDDPDBGQTM-LJQANCHMSA-N	513.689	3.889	0	20	KHAD	
CCCCN(C(=O)CSc1nc2sc(C)c(CC)c2c(=O)n1C[C@@H]1CCCO1)c1c(O)nc(=O)n(CCC)c1N	514375782	VUXYIOKKAMISJA-KRWDZBQOSA-N	590.772	3.688	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CS(=O)(=O)Cc1ccc(Cl)s1	514381812	UDHWUEDYRMGEJC-UHFFFAOYSA-N	521.082	3.528	0	20	KHAD	
CCc1c(C)sc2nc(SCC(=O)NCC(=O)Nc3ccc(F)c(F)c3)n(C[C@@H]3CCCO3)c(=O)c12	514386263	IPMYAEIKISHHLG-HNNXBMFYSA-N	536.626	3.633	0	20	KHAD	
Cc1ccc(NC(=O)c2sc3[nH]c(CSc4nnc(C[C@H]5CCS(=O)(=O)C5)n4C)nc(=O)c3c2C)c(C)c1	514387393	FNGYDNNQUHGZPS-MRXNPFEDSA-N	572.738	3.560	0	20	KHAD	
O=C(CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)Nc1ccccc1I	514393131	ORONKMAWZXAJNH-OAHLLOKOSA-N	527.432	3.783	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NCc1ccc(OCC(F)(F)F)cc1)n2CC(C)C	514394623	PNSJQFQWIOJHAN-UHFFFAOYSA-N	523.556	3.945	0	20	KHAD	
COC(=O)CCCCCn1c(SCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)nc2ccccc2c1=O	514402001	ISKGCDMPCLUWTB-UHFFFAOYSA-N	557.694	3.817	0	20	KHAD	
CCn1c(CCC(=O)N[C@@H](C)c2ccc(Br)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514405161	RKWXOXSEDFSOFV-HNNXBMFYSA-N	507.454	3.879	0	20	KHAD	
C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	514300193	LJZRDYREGOPLDS-GFCCVEGCSA-N	509.959	3.894	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4ccc5c(c4)CCC(=O)N5)cs3)CC2)c(C(=O)OC)c1C	514374745	GHTZTYOILIJJFV-UHFFFAOYSA-N	632.742	3.677	0	20	KHAD	
CCCn1c(SCC(=O)Nc2nc(CC(=O)OCC)cs2)nc2ccc(Br)cc2c1=O	514375754	WNUWJBAAFIUAOG-UHFFFAOYSA-N	525.450	3.862	0	20	KHAD	
C[C@@H](NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1)[C@@H]1C[C@H]2CC[C@H]1C2	514376761	QVSRBMYFHIDVHF-VWEIPLKFSA-N	585.752	3.640	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)c(O)nc1=O	514378268	DMIJKUUIBLQJMG-UHFFFAOYSA-N	607.708	3.977	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1	514379763	YDWMSZVODALMIP-QGZVFWFLSA-N	518.661	3.804	0	20	KHAD	
COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c1	514383538	KVRSECMZFHGZKV-WZONZLPQSA-N	524.643	3.971	0	20	KHAD	
CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1CC	514390841	DEYLVLUEVYBTOZ-OAQYLSRUSA-N	571.725	3.530	0	20	KHAD	
CC(C)OCCCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc2c1=O	514301837	DQUCHEZHMIFFFS-IRXDYDNUSA-N	567.133	3.870	0	20	KHAD	
CC[C@@H](C)n1c(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514375698	UGJOTDKZNMKJKP-LJQANCHMSA-N	608.812	3.928	0	20	KHAD	
CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)n1CCN1CCOCC1)N(C)C	514387638	GXQVCSPFOTWXPU-XLIONFOSSA-N	539.544	3.813	0	20	KHAD	
CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1	514389873	PYTDIEJUVCSGEY-HXUWFJFHSA-N	580.736	3.927	0	20	KHAD	
CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)sc2c1CCS(=O)(=O)C2	514393012	KOHMMSWAFBGOHQ-UHFFFAOYSA-N	595.548	3.742	0	20	KHAD	
Cc1cn2c(=O)c(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc(Cl)c5)sc4C3)cnc2s1	1822063883	HSOFNNBTCJAYLU-CQSZACIVSA-N	500.005	3.714	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccccc2Cl)n1CCCOC)c1c(O)nc(=O)n(CCC)c1N	514375991	YVWXNPZNNILMQN-UHFFFAOYSA-N	564.112	3.815	0	20	KHAD	
COC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(SCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)nc2c1	514384857	ZUXVWPOMSROOPB-OAQYLSRUSA-N	604.150	3.935	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O	514386707	ZBZUMZJPYNWRHD-UHFFFAOYSA-N	519.023	3.650	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1	514388558	PEECNDBAUWTXEB-WBVHZDCISA-N	500.086	3.612	0	20	KHAD	
COc1ccc(CCn2c(S[C@@H](C)C(=O)N3CCC(C(N)=O)CC3)nc3sc4c(c3c2=O)CCCC4)cc1OC	514395348	IRGNLNBZTLJWOE-KRWDZBQOSA-N	584.764	3.801	0	20	KHAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(CCC(N)=O)n2CC(C)C)c1	514301100	VVKYFGFRURPOMY-UHFFFAOYSA-N	579.148	3.951	0	20	KHAD	
CCCn1c(CCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514391705	PLFGLCXEKZDKTE-UHFFFAOYSA-N	591.756	3.538	0	20	KHAD	
O=C(c1cnc2snnc2c1)N1CCO[C@]2(CCN(C(=O)c3sc4ccccc4c3Cl)C2)C1	1777810881	PRNGXPPFDSFZIC-QFIPXVFZSA-N	500.005	3.712	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(Nc2ccccc2F)s1)c1c(O)nc(=O)n(CC(C)C)c1N	514290750	ACLICNSUHIVRHW-UHFFFAOYSA-N	521.644	3.847	0	20	KHAD	
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1	514291843	IACDPCJHOQHADL-XXBNENTESA-N	590.772	3.578	0	20	KHAD	
COc1ccc(NC(=O)CCSc2nnc(-c3cccs3)n2C)cc1S(=O)(=O)N1CCCCC1	514301952	JFFAKJCOKWSDDK-UHFFFAOYSA-N	521.690	3.848	0	20	KHAD	
Cc1ccc(Cn2c(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)cc1	514374709	FPGKFXATYIJEQS-NRFANRHFSA-N	513.685	3.517	0	20	KHAD	
CCCCN(C(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1)c1ccccc1	514378204	BGWUQSRKGLDJQG-UHFFFAOYSA-N	536.672	3.864	0	20	KHAD	
CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CSc1nnc(O)n1CCCOC	514386216	HVRAXNYDHJXPNM-UHFFFAOYSA-N	529.619	3.801	0	20	KHAD	
COc1ccc(CN2CCN(Cc3nc(-c4cccc(Br)c4)no3)CC2)c(OC)c1OC	514401180	OQDKLMBPGPXSTO-UHFFFAOYSA-N	503.397	3.843	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)cc4nn[nH]c34)sc2C1)c1scnc1C1CC1	1821435371	FYPPETOVLXBSBU-LLVKDONJSA-N	500.009	3.941	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)c(O)nc1=O	499314638	ULORCUZMQYPQCE-UHFFFAOYSA-N	500.003	3.746	0	20	KHAD	
O=C1CCc2cc(-c3csc(NC(=O)C4CCN(S(=O)(=O)c5ccc6c(c5)OCCCO6)CC4)n3)ccc2N1	514292320	MAVLJXHEWLFYPU-UHFFFAOYSA-N	568.677	3.896	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)NC[C@@H](c1ccccc1Cl)N(C)C)c1c(O)nc(=O)n(CCCC)c1N	514297733	ZSJKMBUWFOQOKW-NRFANRHFSA-N	549.116	3.707	0	20	KHAD	
COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)C)cc1	514375666	UUZCTPSJTJDEIO-QGZVFWFLSA-N	517.677	3.979	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1	514393472	CCAHLSJVYANYLT-QRVBRYPASA-N	506.694	3.876	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)o2)c1	514395819	USOVRZPQSFDIHV-IAGOWNOFSA-N	546.671	3.896	0	20	KHAD	
O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	514403750	PFZOORYPBUIBHN-UHFFFAOYSA-N	544.149	3.605	0	20	KHAD	
Cn1c(=O)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(Cl)s2)CC3)nc2ccccc21	1818378555	WRKRUJIWNXJCNZ-LLVKDONJSA-N	500.005	3.645	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1	514299992	KADCKSSHDXFPCB-UHFFFAOYSA-N	515.705	3.871	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)c1c(O)nc(=O)n(CC(C)C)c1N	514301886	GEYVMLSEDMEMQO-UHFFFAOYSA-N	587.102	3.973	0	20	KHAD	
COC(=O)c1sc2[nH]c(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)nc(=O)c2c1C	514375607	SWZWGOFHIGBNQW-GFCCVEGCSA-N	503.631	3.871	0	20	KHAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)cc1S(=O)(=O)NC(C)(C)C	514378663	GTAZSPMMYDEZKM-UHFFFAOYSA-N	567.730	3.986	0	20	KHAD	
CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1=O	514291729	GNGFEAOVLKSVPG-VXKWHMMOSA-N	506.647	3.865	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)CC2)cc1OC	514299715	PDHNWHDWIBPHKO-JOCHJYFZSA-N	535.732	3.755	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2cc(C(=O)OC)ccc2c1=O	514375836	XISSZKUWYSSJJL-LJQANCHMSA-N	602.735	3.514	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	514404724	KEJYZSYNGKGVKJ-IRXDYDNUSA-N	500.621	3.898	0	20	KHAD	
Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514378080	QWHYROLHOWPEAU-UHFFFAOYSA-N	512.676	3.859	0	20	KHAD	
COc1ccc(-c2nc(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cs2)cc1OC	514378884	JKEJVNCFZFTJDT-IAGOWNOFSA-N	531.656	3.806	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nnc(N3CCOCC3)n2-c2cccc(C)c2)cc1S(=O)(=O)N(CC)CC	514386538	RMJUCMWVTPBUGT-UHFFFAOYSA-N	588.756	3.572	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(CCc4cc(OC)cc(OC)c4)CC3)CC2)cc1	514392921	HNKJEBHWKIABFM-UHFFFAOYSA-N	530.687	3.985	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Sc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)c(O)nc1=O	514395603	OHHSEIPJSYHYLG-INIZCTEOSA-N	579.123	3.511	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)nnc1-c1ccc(OC)c(OC)c1	514402022	JKSSDNFDLSKBRK-OFNKIYASSA-N	539.702	3.870	0	20	KHAD	
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1	514404070	XOLWLDJJGFPCBU-IBGZPJMESA-N	501.674	3.819	0	20	KHAD	
O=C1CSc2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3ccc(Cl)cn3)CC4)ccc2N1	1816973341	MWIIMKUXXJXKSU-ZDUSSCGKSA-N	500.005	3.775	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c3c(Cl)cccc13)CC2)c1nnsc1C1CC1	1817711875	JLQWTBHKADBRAF-JTQLQIEISA-N	500.009	3.941	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)NCc2ccccc2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514302297	OHYRSTPVSNWSJF-LJQANCHMSA-N	513.689	3.855	0	20	KHAD	
COc1ccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccc(I)cc1	514296457	LYDZQHJYFKIWPW-RTBURBONSA-N	611.458	3.604	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)Nc1ccccc1N1CCCC1)c1c(O)nc(=O)n(CCCC)c1N	514300065	RHLAVJDGZZWVLJ-UHFFFAOYSA-N	512.655	3.874	0	20	KHAD	
O=C(CSc1ncnc2ccccc12)N1CCC(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1	514378527	GXJBDBDKGQDGJK-UHFFFAOYSA-N	608.573	3.800	0	20	KHAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)N3CCN(Cc4c(C)nc5cc(C)ccn45)CC3)nc(=O)c2c1C	514382090	GDGWZWYWYKIYMA-UHFFFAOYSA-N	582.752	3.702	0	20	KHAD	
Cc1nn(C)c(C)c1NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1	514383900	NKELDNAGIPHYEM-UHFFFAOYSA-N	505.595	3.936	0	20	KHAD	
C[C@@H]1c2ccsc2CCN1C(=O)CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	514389152	ZWCZNUBWKJVCIL-LJQANCHMSA-N	539.745	3.517	0	20	KHAD	
O=C(NCc1nnc2ccc(C(F)(F)F)cn12)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	514390232	CIDWACAUAPDTNY-UHFFFAOYSA-N	536.363	3.772	0	20	KHAD	
O=C([C@H]1CN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c2ccccc2O1)N1CCOCC1	514388161	PPVXKOOZFHFBIT-OAQYLSRUSA-N	538.954	3.623	0	20	KHAD	
CCOc1ccc(-n2c(S[C@H](C)C(=O)N(CC)[C@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2)cc1	514388627	RPXVJNVEETWKLR-NQIIRXRSSA-N	514.673	3.849	0	20	KHAD	
Cc1cn2c(=O)c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccc(Cl)c3)CC4)cnc2s1	1818511407	HEGVTUJYSHQBMF-CQSZACIVSA-N	500.005	3.714	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3n[nH]c4c(Cl)cccc34)sc2C1)c1nnsc1C1CC1	1823917394	VNTZBYZXYTZKIN-JTQLQIEISA-N	500.009	3.941	0	20	KHAD	
COc1ccc(-c2nnc(S[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)C(C)C)n2C2CCCCC2)cc1OC	514304782	ZLMXHZJHMAYAAA-PGRDOPGGSA-N	536.720	3.888	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3nnsc3C3CC3)sc2C1)c1cn2cc(Cl)ccc2n1	1817706789	QQPIGMRHYRTFCL-LBPRGKRZSA-N	500.009	3.713	0	20	KHAD	
CCCCN(C(=O)CSc1nc2cc(Cl)ccc2n1CCOC)c1c(O)nc(=O)n(CCC)c1N	514296618	JPLCMPKXUWTBDL-UHFFFAOYSA-N	523.059	3.516	0	20	KHAD	
COc1ccc([C@H](NC(=O)CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)C(C)C)cc1	514298760	DYWNAGZZVBTNSE-RUZDIDTESA-N	506.569	3.784	0	20	KHAD	
O=C(CN1CCN(C(=O)CN(Cc2ccco2)Cc2ccco2)CC1)Nc1ccccc1C(F)(F)F	514401880	AOMLBHUUQUBHQO-UHFFFAOYSA-N	504.509	3.677	0	20	KHAD	
Cn1c(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)nnc1-c1ccccc1Cl	514303001	IHVCWMDWNMPBAO-UHFFFAOYSA-N	532.091	3.992	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4ccc5c(c4)OCCO5)cs3)CC2)cc1OC	514381446	FPRIXNXWJQSCBI-UHFFFAOYSA-N	545.639	3.638	0	20	KHAD	
COC(=O)c1cc(Br)ccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1	514382601	ROOVORFFUMGRCI-OAHLLOKOSA-N	547.431	3.778	0	20	KHAD	
CCOc1ccc(NC(=O)CCC(=O)c2ccc(OC)c(OC)c2)cc1S(=O)(=O)N1CCCCC1	514384259	MFZBPWFQXNXVCS-UHFFFAOYSA-N	504.605	3.879	0	20	KHAD	
O=C(CCN1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1)Nc1ccc(N2CCCC2=O)cc1	514388162	VRBCSLOFHYCVMR-UHFFFAOYSA-N	534.686	3.549	0	20	KHAD	
CCCCN(C(=O)CSc1nc(O)c2c3c(sc2n1)CCCC3)c1c(O)nc(=O)n(CC(C)C)c1N	514374856	ZMOVCHOZPSDQIQ-UHFFFAOYSA-N	532.692	3.702	0	20	KHAD	
Cc1ccc(-c2nnc3n2CCCCC3)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	514387488	IGNYACOOEVMPMB-UHFFFAOYSA-N	515.661	3.565	0	20	KHAD	
Cc1c(NC(=O)[C@@H](C)SCC(=O)NCc2ccc(CN3CCCCC3)cc2)c(=O)n(-c2ccccc2)n1C	514390650	RXDFOMILEFUXPR-JOCHJYFZSA-N	535.714	3.847	0	20	KHAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)CC1	514300712	RCSQXTKYQNCFLP-XMMPIXPASA-N	566.703	3.701	0	20	KHAD	
O=C(c1cccc(N2C(=O)CCC2=O)c1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1	514379148	NHDPAEDVXAPGTJ-UHFFFAOYSA-N	509.628	3.534	0	20	KHAD	
O=C(Cc1c(Cl)cccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1	514402709	RKYDDTIQVBRFGJ-INIZCTEOSA-N	528.458	3.786	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(COc2ccc(CC)cc2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1	514403530	LZTUKOJZBWRHHM-OAQYLSRUSA-N	522.737	3.983	0	20	KHAD	
COc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C	514403882	SDKZTKFTECLTFZ-UGKGYDQZSA-N	596.672	3.968	0	20	KHAD	
CCCn1c(CCC(=O)Nc2ccc(C(=O)N(C)C)cc2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514377246	OTZIWVFYBHZDNZ-UHFFFAOYSA-N	513.664	3.750	0	20	KHAD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1	514379432	UNWGXTUNDKWYEC-PMACEKPBSA-N	508.619	3.914	0	20	KHAD	
COCc1nc(OC)c2c(C)c(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)cc4Cl)CC3)sc2n1	514390518	MMUFMMIFJVQFJW-UHFFFAOYSA-N	589.921	3.717	0	20	KHAD	
Cc1cc(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C2CCCC2)c(C)n1-c1nc[nH]n1	514302156	CCXQMPJCENWMIR-UHFFFAOYSA-N	596.739	3.582	0	20	KHAD	
CC(C)CN(C(=O)CNc1ccccc1N1CCCCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514380325	MCBWNUTUDGVRGN-UHFFFAOYSA-N	504.635	3.671	0	20	KHAD	
COc1cccc(NCc2nnc(S[C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2C2CCCCC2)c1	514405818	ZYPIOCBCJZOTBR-XLIONFOSSA-N	521.709	3.530	0	20	KHAD	
CSc1ncccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)cc4nn[nH]c34)sc2C1	1821443602	WLRZZZZYQNTPRJ-LLVKDONJSA-N	500.009	3.724	0	20	KHAD	
CCn1c(SCC(=O)Nc2cc(OC)c(OC)c(OC)c2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514293932	XSLMCCQREVPNKM-UHFFFAOYSA-N	548.687	3.987	0	20	KHAD	
CCCCn1c(CCC(=O)N2CCN(c3ccccn3)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514381715	PJTIEDUITYUWMW-UHFFFAOYSA-N	526.707	3.543	0	20	KHAD	
C[C@H]1Cc2cc(C(=O)/C(=C(/S)Nc3ccccc3F)[n+]3cccc(O)c3)ccc2N1S(C)(=O)=O	27097844	JYMYXNYKEJZYND-HNNXBMFYSA-O	500.597	3.580	0	20	KHAD	
CC(C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1	514303908	QJUQOAQISMUDIN-INIZCTEOSA-N	504.638	3.808	0	20	KHAD	
CCC(CC)n1c(COc2ccccc2Cl)nnc1SCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1	514374885	HDFRGIVWSSITJU-KRWDZBQOSA-N	515.101	3.999	0	20	KHAD	
COc1ccc(Cc2nnc(S[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)cc1	514375905	ZUYWAIHDOREBDC-KRWDZBQOSA-N	516.645	3.963	0	20	KHAD	
Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514393985	DNPHDRLLDPQJAA-UHFFFAOYSA-N	524.643	3.842	0	20	KHAD	
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N[C@H]3CC4(CCN(C)CC4)Oc4ccccc43)cc2)cc1	514405742	YWSLHLMQHGPUBS-NDEPHWFRSA-N	592.718	3.953	0	20	KHAD	
Cc1ccc(-n2ccnn2)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cnc(Cl)s2)CC3)c1	1823859410	SRMYEZBHMDXILT-LBPRGKRZSA-N	500.009	3.682	0	20	KHAD	
O=C(O)CCCCCNC(=O)CCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21	1857791426	JFGMBGKZCYZOEJ-UHFFFAOYSA-N	512.603	3.710	0	20	KHAD	
CCCCn1c(SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O	514384326	OFHZRJWFKMKGRJ-QGZVFWFLSA-N	505.687	3.566	0	20	KHAD	
Cc1sc2nc(CN3CCN(CCS(=O)(=O)c4cc(Cl)ccc4Cl)CC3)nc(O)c2c1C	514390563	OPMCXUPUTLQZNA-UHFFFAOYSA-N	515.488	3.912	0	20	KHAD	
COc1ccc(C(=O)N2CCC(C(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)CC2)c2ccccc12	514394186	IABBZDRAMYKPJX-UHFFFAOYSA-N	528.653	3.920	0	20	KHAD	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c2)C1	514400859	CNYHUZKXLRUPNW-OALUTQOASA-N	527.643	3.573	0	20	KHAD	
O=C(CCc1ccc(OC(F)F)cc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514402570	PJAHBDKZWPZSND-UHFFFAOYSA-N	509.394	3.578	0	20	KHAD	
Nc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(-n5cccn5)cc4Cl)sc3C2)cs1	1823182254	ANCFNFYEATYGCP-NSHDSACASA-N	500.009	3.561	0	20	KHAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1	514384216	QWODPXQAKMJNIU-UHFFFAOYSA-N	503.569	3.717	0	20	KHAD	
COc1cc(CN(C)C(=O)CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)ccc1OCc1ccccc1	514393845	MWUYXKKXYYVXND-XMMPIXPASA-N	567.712	3.632	0	20	KHAD	
Cc1c(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)sc2nc3n(c(=O)c12)CCCCC3	514394092	OYHNIBWETVDJBJ-UHFFFAOYSA-N	514.673	3.597	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C	514291251	CGJDDGPIFYRYQY-DVECYGJZSA-N	514.692	3.865	0	20	KHAD	
COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OCC(F)(F)F)cc2)c1C	514299619	HPLYOJNUGITSBI-UHFFFAOYSA-N	624.638	3.809	0	20	KHAD	
CCCn1c(CCC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514382610	SARHOPMCAWJIFW-UHFFFAOYSA-N	594.782	3.563	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)s1	514392961	JAWDUQYJQJJHPW-UHFFFAOYSA-N	541.761	3.619	0	20	KHAD	
COc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C	514393790	KTXKXUBQVFKHFB-FXAWDEMLSA-N	514.648	3.504	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)N[C@H](C)c3ccccc3OC)nnc12	514395978	YKRRNKITUCZPBK-QZTJIDSGSA-N	509.632	3.837	0	20	KHAD	
O=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	514301361	ZTSAHMHYBUEMAW-QGZVFWFLSA-N	507.494	3.788	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c(O)nc1=O	514404124	ZGLKOOPCIYVQFN-UHFFFAOYSA-N	509.607	3.563	0	20	KHAD	
O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	514383737	JFEAHECLZRLHIU-NFBKMPQASA-N	520.424	3.954	0	20	KHAD	
Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c(C)c1	514393535	DTHYAUFDUIUJRS-GOSISDBHSA-N	522.465	3.530	0	20	KHAD	
C[S@@](=O)Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1	514403130	IZWVHFCTZNGHJD-UUWRZZSWSA-N	542.523	3.749	0	20	KHAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)CC1	514405217	SEBUSMUPKPHANH-UHFFFAOYSA-N	656.441	3.958	0	20	KHAD	
O=C(Cn1cnc2sccc2c1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCCC1	514295145	BDRPIZFYTMHPQP-UHFFFAOYSA-N	529.688	3.652	0	20	KHAD	
COCCN(C(=O)CSc1nnc(-c2ccco2)n1[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)c1c(O)nc(=O)n(CC(C)C)c1N	514376811	SBBUVVYZGYYGJS-MUGJNUQGSA-N	585.731	3.808	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c(O)nc1=O	514391662	MVAQEFMGQULQJV-UHFFFAOYSA-N	525.635	3.679	0	20	KHAD	
CCOc1ccc(-n2c(SCC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)nnc2-c2cccc(OC)c2)cc1	514300169	KTRBEHUEKVYITE-RCZVLFRGSA-N	586.736	3.628	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1	514382930	YPQRPYVOTMAIFG-FQEVSTJZSA-N	571.725	3.712	0	20	KHAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1CCC(N)=O	514401850	GTSORWZMBIOFSY-CYBMUJFWSA-N	527.525	3.577	0	20	KHAD	
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)cc1C	514291811	IRAVSDJXENBFHW-SFHVURJKSA-N	516.645	3.802	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1	514292500	MQNFLOOYBOIGNS-UHFFFAOYSA-N	611.750	3.579	0	20	KHAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2C)c(O)nc1=O	514293518	VLKPCBKODAWNJB-UHFFFAOYSA-N	591.738	3.891	0	20	KHAD	
O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514300605	OZVKHNVLQXUEQM-UHFFFAOYSA-N	516.973	3.503	0	20	KHAD	
CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	514375893	ZARJPVYRCDCZLJ-UHFFFAOYSA-N	508.526	3.647	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)n2CC	514386299	JUNXNPQKROCJKK-HNNXBMFYSA-N	514.631	3.753	0	20	KHAD	
O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514387649	HJVJZXKHHNZQPS-UHFFFAOYSA-N	548.105	3.683	0	20	KHAD	
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1	514394801	SXKXSPNCISNKQH-BGYRXZFFSA-N	523.659	3.924	0	20	KHAD	
CCOc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)ccc1OCC(=O)N1CCCCC1	514401728	CNFZPFUBNTXUAS-DEOSSOPVSA-N	530.065	3.933	0	20	KHAD	
Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(=O)nc4sccn24)CC3)c1Cl	1827636558	KPRGSEHVIQNRLZ-LBPRGKRZSA-N	500.005	3.714	0	20	KHAD	
CN(c1ccc(OCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1)S(=O)(=O)c1cccs1	514291053	BKNPGMITBCNFFA-NRFANRHFSA-N	503.646	3.888	0	20	KHAD	
COCCN(C(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514295018	HHXWJLWRVALZDY-UHFFFAOYSA-N	511.019	3.567	0	20	KHAD	
CCCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1)c1c(O)nc(=O)n(CCCC)c1N	514295983	NBHCOQUEORBQJN-UHFFFAOYSA-N	585.727	3.998	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@H](O)COC(C)C)n2-c2ccccc2)c1	514301627	BBBFCQMUXGUDKE-OAQYLSRUSA-N	504.678	3.843	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1	514381532	ILOCLXOZWTUBCG-OAQYLSRUSA-N	600.767	3.575	0	20	KHAD	
CCCn1c(CSc2nncn2CCc2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514391608	MELDZFYFVGZOMP-UHFFFAOYSA-N	532.717	3.655	0	20	KHAD	
CN(Cc1c(F)cccc1Cl)C(=O)CSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1	514392632	ZVSWNXLZRHNLEN-UHFFFAOYSA-N	522.021	3.960	0	20	KHAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1	514401308	SRGRDTHLEGUPIQ-UHFFFAOYSA-N	542.658	3.968	0	20	KHAD	
COc1cc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)c(OC)cc1Cl	514404968	OXJDGOGUZBWAIZ-UHFFFAOYSA-N	521.039	3.990	0	20	KHAD	
CNc1nsnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(Cl)nc4ccccc34)sc2C1	1818280018	PBNAUXYQSBADGG-JTQLQIEISA-N	500.009	3.778	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N)c1c(O)nc(=O)n(CCCC)c1N	514291229	BTKKRRRYMVFZLK-UHFFFAOYSA-N	672.787	3.761	0	20	KHAD	
CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1=O	514291730	GNGFEAOVLKSVPG-YADHBBJMSA-N	506.647	3.865	0	20	KHAD	
COc1cccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)N(C)C)c1	514293326	PHSNHZGNPMHJQK-OAQYLSRUSA-N	513.582	3.534	0	20	KHAD	
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1-c1ccc(C)cc1	514386500	QDCSFXDNSIDFAJ-HXUWFJFHSA-N	522.675	3.552	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1CCN(Cc3ccc(Cl)cc3)CC1)n2C	514390721	ATJRQTPFEOPEIH-UHFFFAOYSA-N	546.137	3.971	0	20	KHAD	
O=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514299021	CIOLLZYFHYBHFM-WOJBJXKFSA-N	585.729	3.994	0	20	KHAD	
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1	514300231	MGCHYIVSBUYCBL-JOCHJYFZSA-N	517.095	3.591	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2nc3c(C)cc(C)cc3s2)c(O)nc1=O	514378235	CKRLUQXATBIPOL-UHFFFAOYSA-N	514.652	3.966	0	20	KHAD	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1	514383103	GJCZQZRUHNFDIO-UHFFFAOYSA-N	557.489	3.613	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3c(Cl)cccn13)CC2)c1nnsc1C1CC1	1817706409	GKRKVRLFQONONG-NSHDSACASA-N	500.009	3.713	0	20	KHAD	
O=C(c1ccccc1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)CC1	514291091	BUTSOFNNSFCDOL-UHFFFAOYSA-N	599.345	3.597	0	20	KHAD	
Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)cc1C	514291806	IRAVSDJXENBFHW-GOSISDBHSA-N	516.645	3.802	0	20	KHAD	
CCn1c(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)nnc1-c1cccc(C)c1	514293000	QEVWLEXGQMQWIB-UHFFFAOYSA-N	513.668	3.555	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc(C(F)(F)F)nc2ccccc12)c1c(O)nc(=O)n(CC(C)C)c1N	514300611	PNCXZBMYNBSJOK-UHFFFAOYSA-N	524.569	3.930	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)c1	514376709	FROWASJWUUXGAG-IBGZPJMESA-N	537.704	3.850	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC(C)C)c(O)nc1=O	514381035	ZHNFMWCWTYBAPT-UHFFFAOYSA-N	622.789	3.557	0	20	KHAD	
CCc1ccc([C@@H](NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)C(C)C)cc1	514383434	JBNFVIXRHJVGCP-MHZLTWQESA-N	512.676	3.603	0	20	KHAD	
COc1cc2c(cc1OC)CN(C(=O)CSc1nnc3n(CCC(C)C)c(=O)c4ccccc4n13)CC2	514386492	PXQQXDXFHPMOPQ-UHFFFAOYSA-N	521.643	3.785	0	20	KHAD	
O=C([C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c2ccccc2O1)N1CCCCC1	514388553	PDUHNKDFICMOBA-HSZRJFAPSA-N	565.614	3.913	0	20	KHAD	
CCn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	514404768	MEDCFDZDUNMYFP-PMACEKPBSA-N	579.741	3.879	0	20	KHAD	
O=C(N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4c(Cl)cccc34)sc2C1)c1snnc1C1CC1	1823916661	AXZZKBBUZXBKOH-SNVBAGLBSA-N	500.009	3.941	0	20	KHAD	
CCC/C=C/C=C/C(=O)O[C@H]1C2=CC(=O)O[C@@H]2[C@H]2C[C@@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)C[C@H](C=CC(C)(C)[C@]1(O)O2)O4)O3	2048510821	BSNHYLUEHJOXFN-CYBCXIRNSA-N	889.001	3.642	0	20	KHAD	
CCCCN(C(=O)CSc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1	514293035	OWRKTTAVZPSTGD-QGZVFWFLSA-N	500.086	3.614	0	20	KHAD	
CCCn1c(CCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514297183	XYECKRXBSRXMKK-UHFFFAOYSA-N	576.119	3.529	0	20	KHAD	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1)NC1C2CC3CC(C2)CC1C3	514376986	VZMKWFLQJRJUTQ-UHFFFAOYSA-N	597.763	3.640	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1cc(Br)ccc1F	514380703	UETOYTFFWPOVAC-UHFFFAOYSA-N	526.428	3.852	0	20	KHAD	
COc1cc(-c2nnc(CN3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)o2)cc(OC)c1OC	514387823	RPYGZXOPRLZIRY-UHFFFAOYSA-N	530.647	3.566	0	20	KHAD	
Cc1cn2c(=O)c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc(Cl)c3)CC4)cnc2s1	1818511406	HEGVTUJYSHQBMF-AWEZNQCLSA-N	500.005	3.714	0	20	KHAD	
CCCCn1c(SCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)nc2cc(S(=O)(=O)N(C)C)ccc21	514291996	KWVDOXHKOPKKQN-IBGZPJMESA-N	566.771	3.840	0	20	KHAD	
CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1CC	514374446	BWATUWMUOIUOMM-FQEVSTJZSA-N	584.768	3.890	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(Cc3cccs3)C[C@H]3CCCO3)c12	514384202	QKODXLOFINEBQB-RBUKOAKNSA-N	514.673	3.860	0	20	KHAD	
CCCCn1c(SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514385163	AKZOBXWKQAJTLC-UHFFFAOYSA-N	588.752	3.552	0	20	KHAD	
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCCCOCC3CC3)ccc2OC)cc1Cl	514390636	RJQCSTKVJZLYGI-UHFFFAOYSA-N	513.012	3.713	0	20	KHAD	
Cc1cc(=O)n2nc(CSc3nnc(CN4CCCCC4)n3-c3ccc(OC(F)F)cc3)sc2n1	514391895	PVTXNAUKVCLCSY-UHFFFAOYSA-N	519.603	3.920	0	20	KHAD	
COc1ccc(-c2nc(C(=O)NC[C@@H](c3ccc(OC)c(OC)c3)N3CCOCC3)cs2)cc1OC	514394752	RMTHBTQPADDVEX-FQEVSTJZSA-N	513.616	3.648	0	20	KHAD	
C[C@@H](SCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccccc1Br	514395917	XAZFZPJSTAGTFT-MRXNPFEDSA-N	529.478	3.609	0	20	KHAD	
C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(=O)Nc1ccccc1S(C)(=O)=O	514396027	ZQHREHTUYXSQRB-KRWDZBQOSA-N	517.652	3.915	0	20	KHAD	
O=C(NC1CC1)c1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C2CC2)cc1	514402837	RTVFLENZPBTPKK-UHFFFAOYSA-N	516.063	3.824	0	20	KHAD	
COc1cc(C)c(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1OC	514299818	JFSBTZBWLNWJIU-UHFFFAOYSA-N	531.494	3.896	0	20	KHAD	
Cc1ccc(-n2c(SCC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)nnc2N2CCCC2)cc1	514386020	ATUQWCHPZKCIPC-JOCHJYFZSA-N	517.721	3.616	0	20	KHAD	
CCCn1c(CS[C@H](C)C(=O)Nc2cccc(F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514387555	JNMZKIBLBLMWRK-QGZVFWFLSA-N	520.652	3.867	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)c1c(O)nc(=O)n(CCCC)c1N	514404546	HKHUFMMUZTWVCE-RUZDIDTESA-N	557.692	3.919	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C	514293769	XCAOMNIXVXLXHJ-UHFFFAOYSA-N	566.105	3.962	0	20	KHAD	
CCCCCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)s1	514296118	PFCIBLBEUQWCID-UHFFFAOYSA-N	507.682	3.534	0	20	KHAD	
CCCn1c(N)c(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccccc2C(F)(F)F)c(O)nc1=O	514374514	DVPSOZCGOICQBM-UHFFFAOYSA-N	551.595	3.502	0	20	KHAD	
COc1ccc(CC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1S(=O)(=O)N1CCOCC1	514383222	DZULCNVBGVTEMU-MFPDIUDQSA-N	532.662	3.672	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	514291151	CQJFLEWTJQPUPJ-OFVILXPXSA-N	535.663	3.784	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2CCOC)c1	514293926	XPLARSPIPLGCCY-MRXNPFEDSA-N	553.110	3.790	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)Nc2ccc(C)cc2Br)c1	514298164	ZFCJKGBZMACEGM-UHFFFAOYSA-N	539.496	3.675	0	20	KHAD	
CCCCn1c(SCC(=O)N(CCCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nc2sc(C)c(C)c2c1=O	514375492	QABPQSGMXCDKKD-UHFFFAOYSA-N	612.778	3.930	0	20	KHAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O	514375660	UQDZHWFYDRPQOJ-UHFFFAOYSA-N	522.385	3.862	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccc(O)cc3)n2[C@@H](C)COC)c1	514387991	LCSYTUWIIZUWMN-KRWDZBQOSA-N	518.661	3.864	0	20	KHAD	
CS(=O)(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)cc1	514391447	JVTDQZFUZKKKGX-INIZCTEOSA-N	533.697	3.650	0	20	KHAD	
O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)CC1	514402798	DTFKVFUQTJKMEH-UHFFFAOYSA-N	590.874	3.766	0	20	KHAD	
CC(C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccc2c(c1)OCCO2	514404418	GXURTFKOGWBQEL-AREMUKBSSA-N	530.643	3.533	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C	514300211	LSAMFFWKZAKRFM-XXBNENTESA-N	501.649	3.637	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1	514377357	RYDAAGHNNDKVBJ-UHFFFAOYSA-N	522.620	3.555	0	20	KHAD	
CCOc1ccc([C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)C(C)C)cc1OCC	514389770	MDMSPFQWPAWGMK-RUZDIDTESA-N	550.674	3.649	0	20	KHAD	
CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n1CCN1CCOCC1)N(C)C	514291887	HYTAVCYFIXGCQS-GHTZIAJQSA-N	529.736	3.866	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)nc2cc(Cl)ccc2c1=O	514303420	MREPUYFHWYNIRS-INIZCTEOSA-N	518.035	3.697	0	20	KHAD	
CCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CC)CCCC3)c1c(O)nc(=O)n(CC(C)C)c1N	514377173	ZSVDXWVRGPPUKE-UHFFFAOYSA-N	560.746	3.783	0	20	KHAD	
Cc1cc(C)n2nc(SCc3ccccc3C(=O)NC[C@H](c3cccs3)N3CCOCC3)nc2n1	514380664	SCMJVWAMCWMXKG-OAQYLSRUSA-N	508.673	3.898	0	20	KHAD	
COc1cc(Br)c(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)cc1OC	514381400	DENKJPMNPJAUGY-MRXNPFEDSA-N	566.474	3.683	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)N2CCN(c3ccccc3F)CC2)n1-c1ccc(OC)cc1)N(C)C	514386384	MYUMHTFUVFCBHD-JOCHJYFZSA-N	512.655	3.869	0	20	KHAD	
Cc1sc2ncnc(N3CCC(C(=O)N4CCN(S(=O)(=O)c5ccc6c(c5)CCC6)CC4)CC3)c2c1C	514390634	RGWSNGZWJURHKY-UHFFFAOYSA-N	539.727	3.546	0	20	KHAD	
C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccc(OC(F)F)cc1	514403778	PUCXRWOBSFSZTJ-MRXNPFEDSA-N	510.559	3.727	0	20	KHAD	
C[C@H](Sc1nnc([C@H](C)N2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514295496	BVLVZNMTVBADAH-VXKWHMMOSA-N	584.768	3.954	0	20	KHAD	
COc1ccc(-c2nnc(S[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)C(C)C)n2C2CCCCC2)cc1OC	514304781	ZLMXHZJHMAYAAA-GCJKJVERSA-N	536.720	3.888	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)c12	514383550	KYJSDAVJMFPNOU-UQBPGWFLSA-N	524.643	3.875	0	20	KHAD	
CC(C)CCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514384872	VCRYQBLESPZREP-UHFFFAOYSA-N	553.610	3.789	0	20	KHAD	
CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)CC1	514301066	XQZAXYQEFDBLRN-UHFFFAOYSA-N	519.115	3.865	0	20	KHAD	
CC1CCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccc(F)cc2)CC1	514375160	METYDZOQOMXHPW-UHFFFAOYSA-N	573.716	3.504	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)N(CC(=O)Nc1cccc(C)c1C)C[C@@H]1CCCO1)c1c(O)nc(=O)n(CCCC)c1N	514377344	RTCWGSKZCNHBPM-DEOSSOPVSA-N	612.772	3.898	0	20	KHAD	
C[C@@H]1CCc2c(sc3nc([C@@H](C)N4CCC(C(=O)Nc5ccc(S(N)(=O)=O)cc5)CC4)nc(O)c23)C1	514401081	LITPCNPARKMYQR-HUUCEWRRSA-N	529.688	3.581	0	20	KHAD	
O=C(N[C@H]1CCc2nc(NC(=O)c3cnc4cc(Cl)ccn34)sc2C1)c1snnc1C1CC1	1816073474	QSQNZOJELQWQSY-LBPRGKRZSA-N	500.009	3.713	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(N2C(=O)CCC2=O)c1	514291654	HSOYUVRSAJQYAZ-UHFFFAOYSA-N	512.632	3.613	0	20	KHAD	
O=C(CSc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	514293078	POUHQRPLLRNLFD-UHFFFAOYSA-N	611.577	3.922	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(I)cc2C)c(C(=O)OC)c1C	514380916	RDYBUTOXHQMYDX-OAHLLOKOSA-N	640.543	3.581	0	20	KHAD	
O=C(CSCc1nc(O)c2c3c(sc2n1)CCCC3)Nc1ccc(N2CCCS2(=O)=O)cc1	514393532	DQDLHDHWSMOJEB-UHFFFAOYSA-N	504.659	3.688	0	20	KHAD	
CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)nc(O)c12	514404958	OQIFECSBTQNJBM-SWLSCSKDSA-N	523.706	3.889	0	20	KHAD	
C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514374393	BHCDAIDSGOTQIS-HXUWFJFHSA-N	636.747	3.995	0	20	KHAD	
COc1ccc([C@H](NC(=O)CN2CCN(CC(=O)N[C@@H](c3ccc(OC)cc3)C(C)C)CC2)C(C)C)cc1	514391117	GGOVMZRYDXOIQJ-LOYHVIPDSA-N	524.706	3.648	0	20	KHAD	
CCCN(C(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	514395080	BUHVTUJLVHFCNF-UYAOXDASSA-N	502.662	3.801	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)c(O)nc1=O	514378834	IUVYBUDJNLAKNI-UHFFFAOYSA-N	567.643	3.669	0	20	KHAD	
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514393930	BRZXOLFVGGNBFQ-UHFFFAOYSA-N	556.468	3.656	0	20	KHAD	
COc1cccc(-n2c(S[C@@H](C)C(=O)N3CCC(C(N)=O)CC3)nc3sc4c(c3c2=O)CCCCC4)c1	514395159	DNLSIAUUCGHTKB-INIZCTEOSA-N	540.711	3.929	0	20	KHAD	
CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)CC(=O)N(CC)CC)c2)cc1Br	514400976	HLXSQZCTJNZNRQ-UHFFFAOYSA-N	526.453	3.589	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1	514299932	LFRGJMIRLFNDAG-UHFFFAOYSA-N	566.746	3.609	0	20	KHAD	
CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1	514303909	QJUQOAQISMUDIN-MRXNPFEDSA-N	504.638	3.808	0	20	KHAD	
CC(=O)NCc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2CCCN(C)C)CCCC4)cc1	514384687	SKZNAYQVKCYALI-UHFFFAOYSA-N	512.701	3.900	0	20	KHAD	
Cn1ccnc1[C@H](NC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1	514390974	XEEBYGHEAOKCEV-XMMPIXPASA-N	533.050	3.589	0	20	KHAD	
Cc1cccc(OCc2nnc(SCC(=O)NCc3ccccc3S(=O)(=O)N3CCCCC3)o2)c1	514394180	HTAQKMXCRMZKSR-UHFFFAOYSA-N	516.645	3.540	0	20	KHAD	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N[C@H](C)C(=O)NCCCOC)cc1	514395441	KKDUESUPTNCVMH-OAHLLOKOSA-N	514.442	3.602	0	20	KHAD	
CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	514401542	YNVVYWQECXJRCY-HXUWFJFHSA-N	562.486	3.907	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)n1-c1ccc(OC)cc1)N(C)C	514294363	XNMISYBXGMBOHS-DFIYOIEZSA-N	602.783	3.817	0	20	KHAD	
CCCCn1c(SCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514395207	FNRVNEDDGCJXOO-UHFFFAOYSA-N	557.742	3.731	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)nc2cc(Cl)ccc2c1=O	514395914	WYIXOJUUDBHAAM-IBGZPJMESA-N	545.105	3.716	0	20	KHAD	
COC(=O)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@](C)(OC(=O)[C@@H](C[C@H]1CCNC1=O)NC(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@@H]1CCNC1=O	1911530813	QZTPJSZXBIOROJ-ADXHROOYSA-N	877.090	3.821	0	20	KHAD	
CC(C)N(CCn1c(S[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1=O)C(C)C	514291274	DLABGTNUTZTOOY-NRFANRHFSA-N	539.702	3.574	0	20	KHAD	
O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	514293951	UKFFNTMSKHEWDK-UHFFFAOYSA-N	560.264	3.657	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)CC1	514374973	IZIHVENBCHGQRS-UHFFFAOYSA-N	510.616	3.845	0	20	KHAD	
C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C(=O)NCCc1ccc(F)cc1	514375664	UTRRJAASFCYSCY-QGZVFWFLSA-N	518.636	3.890	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(C(=O)OC)c1C	514380457	LMLDEAJEIBXOJY-AWEZNQCLSA-N	584.616	3.567	0	20	KHAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1	514293144	QCASIVZKDZZPKR-UHFFFAOYSA-N	541.592	3.781	0	20	KHAD	
C[C@@H](Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514295495	BVLVZNMTVBADAH-FGZHOGPDSA-N	584.768	3.954	0	20	KHAD	
COc1ccc(-c2nnc(S[C@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)n2C[C@@H]2CCCO2)cc1	514374380	BEHVPLJBORAKSK-PBHICJAKSA-N	549.575	3.786	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCOC)ccc1C	514376035	ZZZRCFHPRAEZRF-UHFFFAOYSA-N	532.688	3.503	0	20	KHAD	
COc1ccc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	514391084	ZOVCVUUKSYFTNN-LLJLJFOGSA-N	514.623	3.754	0	20	KHAD	
O=C(CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2	514394322	TZMFVRXNPRDWLZ-DHCMPMFNSA-N	577.707	3.904	0	20	KHAD	
COc1cc(-c2noc(CSc3nnc(N4CCOCC4)n3Cc3ccco3)n2)ccc1OC(F)F	514394484	VSLKRIZICMQEAJ-UHFFFAOYSA-N	520.518	3.708	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)N2CCc3sccc3C2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514395940	XNZWTTQENCPBAQ-QGZVFWFLSA-N	531.729	3.877	0	20	KHAD	
CN(C)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)cc1	514297499	XALBCOVGOAXVCX-UHFFFAOYSA-N	609.362	3.501	0	20	KHAD	
Cc1nc2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)cc2nc1C	514300447	PKBUDPZMEOOOOU-UHFFFAOYSA-N	509.632	3.510	0	20	KHAD	
Cc1ccccc1OCc1nnc(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1	514375813	XAFQJJFPQPGYJE-JOCHJYFZSA-N	528.700	3.919	0	20	KHAD	
O=C1CSc2cc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5ccncc5Cl)sc4C3)ccc2N1	1820414669	OBFAIVVNGYBZFI-GFCCVEGCSA-N	500.005	3.775	0	20	KHAD	
CC(C)[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1ccc2c(c1)OCCO2	514299113	AIGNRWOJYIVNEU-MUUNZHRXSA-N	540.686	3.965	0	20	KHAD	
CCCn1c(CCC(=O)NC[C@@H](c2cccs2)N(C)C)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514380576	NHSGNZQWVHTQCO-QFIPXVFZSA-N	517.721	3.644	0	20	KHAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)C2CCN(C(=O)CSc3ncnc4ccccc34)CC2)CC1	514382575	QISZUBXRXZTRDC-UHFFFAOYSA-N	653.875	3.772	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cnc(N4CCCCC4)s3)n2C)c1	514389394	FSELHSZKMBHFNE-UHFFFAOYSA-N	534.733	3.934	0	20	KHAD	
Cc1ncc(/C=C/C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(Cl)nc5n[nH]cc45)sc3C2)s1	1816068900	OLDAXKUBLHURKM-TZNOJPMFSA-N	500.009	3.772	0	20	KHAD	
CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3	514294296	VZOFDUOTLKBRBV-UHFFFAOYSA-N	510.563	3.692	0	20	KHAD	
CCCCOc1c(Cl)cc(C(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)cc1OCC	514379247	QWOVYGRCWVDWIK-UHFFFAOYSA-N	511.019	3.711	0	20	KHAD	
O=C(CSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1)N1CCCC1	514380824	UXTKLASHIOENRC-UHFFFAOYSA-N	586.961	3.964	0	20	KHAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c12	514381945	BSEIKWIMFFHKHM-GOSISDBHSA-N	530.050	3.719	0	20	KHAD	
O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1	514384498	SZFAJQASNUYEPD-SFHVURJKSA-N	525.096	3.896	0	20	KHAD	
CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)nc1C	514389749	LPQSBVRSKNILAN-UHFFFAOYSA-N	506.650	3.655	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N1CCC(C(=O)OC)CC1)n2-c1ccc(OC)cc1	514291921	JEOHIFAIYVJDHZ-UHFFFAOYSA-N	574.725	3.568	0	20	KHAD	
CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)n2)s1	514299524	HLQXRBVRXWRABS-UHFFFAOYSA-N	589.765	3.771	0	20	KHAD	
CCn1c(SCC(=O)N(C)Cc2ccc(OC)cc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514375121	LFKHUVJKVGNLGL-UHFFFAOYSA-N	529.688	3.509	0	20	KHAD	
O=C(CSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514384373	NXZWKPWTVGTHED-WOJBJXKFSA-N	559.735	3.611	0	20	KHAD	
CCCOc1c(Cl)cc(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)cc1OC	514385380	GELRCZROXQGXLI-UHFFFAOYSA-N	513.012	3.809	0	20	KHAD	
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	514388841	STVCRAGZDYEPLJ-CYBMUJFWSA-N	510.041	3.820	0	20	KHAD	
CCOc1ccc(-n2c(S[C@@H](C)C(=O)NC(=O)NC3CC3)nnc2-c2cc(OC)c(OC)c(OC)c2)cc1	514390175	AHUKAJAVWJCONS-HNNXBMFYSA-N	541.630	3.828	0	20	KHAD	
Cc1sc2ncnc(N3CCC(C(=O)Nc4cc(S(=O)(=O)N5CCOCC5)ccc4OC(C)C)CC3)c2c1C	514402458	JKFBZWIHVMPTTB-UHFFFAOYSA-N	573.741	3.971	0	20	KHAD	
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1OC	514294112	YTLVMUCRLDWJAM-UHFFFAOYSA-N	557.591	3.986	0	20	KHAD	
CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1	514382701	AUCDPUAABOZPIQ-INIZCTEOSA-N	502.691	3.945	0	20	KHAD	
O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	514383510	KNGYHGXEZPXXTF-QFIPXVFZSA-N	517.721	3.698	0	20	KHAD	
Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C	514301611	ASMBOWHPUIYPBB-UHFFFAOYSA-N	541.670	3.944	0	20	KHAD	
CC[C@@H](c1nnc(S[C@@H](C)C(=O)c2ccc(Br)cc2)n1CCN1CCOCC1)N(C)C	514375959	XSFQHUCTZPFSKI-LPHOPBHVSA-N	510.502	3.749	0	20	KHAD	
CCCCn1c(CCC(=O)NCc2ccc(OC)c(OC)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514380134	GDHAXHQTOQDFPJ-UHFFFAOYSA-N	528.675	3.887	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1C)[C@@H]1CCS(=O)(=O)C1	514387335	CSAAGGPUHKEXFX-SJLPKXTDSA-N	520.076	3.864	0	20	KHAD	
CCCn1c(CSCC(=O)NC23CC4CC(CC(C4)C2)C3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401110	MMIIBCRSQKVINZ-UHFFFAOYSA-N	546.759	3.785	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)nnc1-c1ccc(OC)c(OC)c1	514404855	LJDWGJNUTFKNKD-SFHVURJKSA-N	544.674	3.856	0	20	KHAD	
Cc1cc(C)c(NC(=O)CNC(=O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)c(C)c1	514292358	KNAXXPIUAMWVNN-UHFFFAOYSA-N	510.660	3.984	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c(O)nc1=O	514295528	IDPMOSRVTHOIAU-UHFFFAOYSA-N	585.727	3.792	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)Cc3ccc(OC)c(OC)c3)o2)c1	514375578	SJUMNLBWTNOZJS-UHFFFAOYSA-N	534.660	3.535	0	20	KHAD	
Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)c(C)n1CCc1cccs1	514384546	PQVGWQFVSYNQDG-UHFFFAOYSA-N	515.657	3.554	0	20	KHAD	
CC(C)[C@H](NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccc2c(c1)OCCO2	514386766	BKOKKOHCWAPYKQ-SANMLTNESA-N	534.579	3.546	0	20	KHAD	
CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)OC)cc1	514291492	FELNNUAIUDPYOX-QFIPXVFZSA-N	558.653	3.631	0	20	KHAD	
CCOCCCn1c(S[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)nc2ccc(Br)cc2c1=O	514303214	VQRABOSEVZLCQB-QGZVFWFLSA-N	577.501	3.644	0	20	KHAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N[C@H](c3ccc4c(c3)OCCO4)C(C)C)c12	514383542	KYJSDAVJMFPNOU-CLOONOSVSA-N	524.643	3.875	0	20	KHAD	
COc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1S(=O)(=O)N1CCCCCC1	514394078	OHAWCVFACPMPQJ-QZTJIDSGSA-N	522.693	3.578	0	20	KHAD	
CCCCn1c(SCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)nnc1-c1ccc(OC)cc1	514404429	HCBFVIFWWGLVGC-UHFFFAOYSA-N	523.659	3.635	0	20	KHAD	
N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21	1857791292	AEWOSKYFHUUYCA-GOPLFPHISA-N	758.080	3.693	0	20	KHAD	
O=C(Nc1cccc(Cl)c1-n1cncn1)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1	116879650	QCZMEAKDQDNRRY-UHFFFAOYSA-N	500.005	3.982	0	20	KHAD	
CCOc1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)ccc1OCC(=O)N1CCCCC1	514294998	FIVHWSAECRNESN-UHFFFAOYSA-N	500.548	3.533	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c1	514296688	OSJLAXAKACKBQN-UHFFFAOYSA-N	579.741	3.746	0	20	KHAD	
O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1	514299147	AUNUXZCQBLZXRP-UHFFFAOYSA-N	546.981	3.865	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514384157	PAYKHUQYJSBVIT-UHFFFAOYSA-N	588.738	3.932	0	20	KHAD	
O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1	514392118	RCHPCQXMHWWSEK-JOCHJYFZSA-N	505.644	3.776	0	20	KHAD	
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3c(C(=O)N4CCOCC4)oc4ccccc34)CC2)c(C)c1	514387051	AOERJRMZAXANDC-UHFFFAOYSA-N	539.654	3.870	0	20	KHAD	
COCCn1c(S[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2scc(-c3ccccc3Cl)c2c1=O	514388955	WGMCPMIQOVAXBX-LSDHHAIUSA-N	556.131	3.551	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1	514400823	BLECFNGWWQDBIZ-XMMPIXPASA-N	516.689	3.604	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	514404332	CBNUKZJEIFCXOB-UHFFFAOYSA-N	614.069	3.925	0	20	KHAD	
COc1ccc([C@H](CC(=O)N2CCN(c3cccc(C)c3C)CC2)NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1OC	514296728	NUIKOIPXNASDPR-NDEPHWFRSA-N	608.761	3.715	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc(Br)s4)CC3)CC2)cc1	514298823	HOGDLXJZNXGDJY-UHFFFAOYSA-N	556.548	3.654	0	20	KHAD	
C[C@H](NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccc(Br)cc1	514299469	FZTHBDGLOYXTGY-INIZCTEOSA-N	527.385	3.901	0	20	KHAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)CC1	514300102	SUIXFKQWQPXEKQ-UHFFFAOYSA-N	588.756	3.648	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)Nc2ccc(I)cc2C)c1	514379546	CWCAUXIKIVZOSL-UHFFFAOYSA-N	586.496	3.517	0	20	KHAD	
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	514405255	ULFLSTWWDGHYAD-QHCPKHFHSA-N	507.528	3.886	0	20	KHAD	
CCCOc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1OCCC	514295726	MOSPIKZYYFQUCX-UHFFFAOYSA-N	505.637	3.603	0	20	KHAD	
NC(=O)CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514303007	IKXSMBXSGZSAOJ-UHFFFAOYSA-N	531.984	3.664	0	20	KHAD	
CCCCN(C(=O)CSc1nnc([C@@H](CC)N(C)C)n1CCCC)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514375704	UGMRDPAYUBZGBU-OAQYLSRUSA-N	570.764	3.909	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1	514377808	KFMLACYCMJKNOQ-UHFFFAOYSA-N	542.702	3.565	0	20	KHAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)cc2)C[C@@H](C)O1	514292622	OEMLUELBGPSYQB-NSHGMRRFSA-N	577.754	3.714	0	20	KHAD	
COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1C)CC2	514377280	PXYQYFMBQINSER-AREMUKBSSA-N	542.679	3.883	0	20	KHAD	
CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1cc(OC)c(OC)cc1Br	514383993	OMLKJSWUZMWXKH-UHFFFAOYSA-N	501.399	3.514	0	20	KHAD	
CCCCn1c(CCC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514391750	NRXSIFHSIAVAMT-UHFFFAOYSA-N	543.709	3.893	0	20	KHAD	
CCCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1-c1cccc(C)c1	514376669	PQAQHSSYEMMNCG-LJQANCHMSA-N	529.688	3.804	0	20	KHAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CC1	514377579	AMFMGNKKGCAYKA-IBGZPJMESA-N	527.668	3.890	0	20	KHAD	
CCCCCN(C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1c(O)nc(=O)n(CCCC)c1N	514386978	BGBVMNYQIUYEHA-UHFFFAOYSA-N	538.575	3.561	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@@H]2CCCO2)sc(C(=O)N(C)C)c1C	514394506	XCBUMOOMXYIFLF-SFHVURJKSA-N	578.761	3.673	0	20	KHAD	
COc1ccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)cc1S(=O)(=O)N1CCCc2ccccc21	514402476	JXRSFPBJYDVZSS-XMMPIXPASA-N	539.654	3.541	0	20	KHAD	
O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514292082	KJRQSFFCGHRWEZ-UHFFFAOYSA-N	564.712	3.935	0	20	KHAD	
O=S(=O)(c1cccc(-c2nnc(SC[C@H](O)COc3ccccc3F)n2C2CCCC2)c1)N1CCOCC1	514376955	VQULYUXWRDEZPM-OAQYLSRUSA-N	562.689	3.752	0	20	KHAD	
Cn1c(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OCC(F)(F)F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514377702	FUYUELFLEFXJOG-UHFFFAOYSA-N	687.763	3.671	0	20	KHAD	
Cc1nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)[nH]c1Cc1ccccc1	514292466	MTBPBCJSARYTFK-UHFFFAOYSA-N	555.726	3.661	0	20	KHAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	514293151	QJGHYDXNFJSFSU-UHFFFAOYSA-N	533.519	3.660	0	20	KHAD	
COCCCn1c(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)nnc1-c1ccccc1Cl	514382924	YKJFWOBECMBGPI-UHFFFAOYSA-N	578.139	3.917	0	20	KHAD	
Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	514389097	ZCQISESXKPWOKB-LLVKDONJSA-N	532.500	3.953	0	20	KHAD	
CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCc2c(C)nc(SC)nc2O)cc1	514391411	JIJHJRWZHLTPNR-UHFFFAOYSA-N	588.708	3.996	0	20	KHAD	
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCC(=O)O)CC2)n1	2048528899	MBCCZMSIKRDUCC-UHFFFAOYSA-N	516.027	3.796	0	20	KHAD	
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1	514293722	WYNIQRGWUQAZJV-APWZRJJASA-N	538.066	3.925	0	20	KHAD	
CCCCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)c1c(O)nc(=O)n(CCCC)c1N	514378986	KJCXPNBNLFRDHN-UHFFFAOYSA-N	604.593	3.779	0	20	KHAD	
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(-c2cccs2)o1	514385561	MKGIATZCKAHXRN-UHFFFAOYSA-N	507.663	3.770	0	20	KHAD	
COc1cc(OC)cc([C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)c2nccn2C)c1	514395296	HLTLCDYGPUKTFI-MHECFPHRSA-N	512.632	3.520	0	20	KHAD	
C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(=O)Nc1ccccc1S(C)(=O)=O	514396028	ZQHREHTUYXSQRB-QGZVFWFLSA-N	517.652	3.915	0	20	KHAD	
O=C(CSc1ncn(-c2ccccc2)n1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O	21756267	IJIUZTWSXBCLDI-PDGQHHTCSA-N	500.005	3.866	0	20	KHAD	
C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514377927	PAUUKSQTFFEFDW-CQSZACIVSA-N	567.380	3.817	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1	514382024	YXACAPSBBCSENR-UHFFFAOYSA-N	515.632	3.848	0	20	KHAD	
CCOc1ccc([C@@H](NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C(C)C)cc1OCC	514390093	XOBGYGCPOKWQKZ-MHZLTWQESA-N	534.675	3.570	0	20	KHAD	
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C	514296938	QLHGRNISMRKVQE-FQEVSTJZSA-N	542.521	3.563	0	20	KHAD	
CCCCCn1c(=O)c2ccccc2n2c(SCc3nc4cc(S(=O)(=O)N5CCOCC5)ccc4n3CC)nnc12	514374330	AINIANUZDBGODB-UHFFFAOYSA-N	595.751	3.917	0	20	KHAD	
COc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C	514377408	ULLAGZHWXKWNFB-UWJYYQICSA-N	512.632	3.602	0	20	KHAD	
CCCn1c(CCC(=O)Nc2cccc(C(=O)NCC)c2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514378950	ZTWNNBBOOSQZHA-UHFFFAOYSA-N	513.664	3.798	0	20	KHAD	
CCn1c(SC[C@H](O)COc2ccc(CCC(C)=O)cc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514379644	BQLDWGNZTPYETQ-HSZRJFAPSA-N	558.726	3.803	0	20	KHAD	
C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C(=O)NCCc1ccccc1	514388813	RZOIEKVLFZDLTD-SFHVURJKSA-N	500.646	3.751	0	20	KHAD	
CCCN(C(=O)[C@H](C)Sc1nnc(-c2cc(OCC)c(OCC)c(OCC)c2)o1)[C@@H]1CCS(=O)(=O)C1	514395276	GVTBEMOOOURFRD-FUHWJXTLSA-N	541.692	3.839	0	20	KHAD	
CCCN(C(=O)[C@H](C)Sc1nnc(-c2ccccc2OC)n1-c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1	514395526	MNXANMGAMDYNNF-AZUAARDMSA-N	544.699	3.858	0	20	KHAD	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1)NCCC1=CCCCC1	514291473	GMDDEYKNIAHMRA-UHFFFAOYSA-N	571.725	3.706	0	20	KHAD	
COc1cccc(NC(=O)COc2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCCC3)cc2)c1	514292163	MHBBCUIPMYBJCZ-UHFFFAOYSA-N	608.717	3.976	0	20	KHAD	
O=C(CSc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	514294413	ZBQUHXRCQQSVGN-JOCHJYFZSA-N	552.166	3.957	0	20	KHAD	
CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n2CC)c1C	514375132	LPVXSPUKOFOYKW-UHFFFAOYSA-N	545.687	3.846	0	20	KHAD	
COCCCNC(=O)[C@H](C)Sc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1F	514395109	CMXXMJFOXDVBIV-HNNXBMFYSA-N	504.584	3.733	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)c1	514402881	SKLYOUXFQPDMLD-UHFFFAOYSA-N	534.125	3.586	0	20	KHAD	
COc1cc2nc(S[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)C(C)C)n(CCC3=CCCCC3)c(=O)c2cc1OC	514302237	NFKHJGJERQFFTK-YADARESESA-N	563.742	3.724	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1)N1CCN(Cc2ccccc2)CC1	514378916	ZFUFSMSNLKLSRR-UHFFFAOYSA-N	585.362	3.957	0	20	KHAD	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2sc(-c3cccs3)nc2C)CC1	514383565	LFRXUUYYEXMRFI-UHFFFAOYSA-N	561.755	3.595	0	20	KHAD	
CCCCn1c(CCC(=O)N2CCN(Cc3ccncc3)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514384731	UFJMDABJGZYQOZ-UHFFFAOYSA-N	540.734	3.539	0	20	KHAD	
COc1ccc(CSc2nnc(SCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)s2)cc1	514384763	WILGJIXGGSGJKF-QGZVFWFLSA-N	513.732	3.889	0	20	KHAD	
CS(=O)(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)cc1	514391448	JVTDQZFUZKKKGX-MRXNPFEDSA-N	533.697	3.650	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514405532	XHGXIHGLIKFJKC-PMACEKPBSA-N	551.090	3.527	0	20	KHAD	
COc1ccc(CCN(C(=O)CC2CCCC2)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1OC	514294785	BYOQURLPCNDFSJ-UHFFFAOYSA-N	506.603	3.753	0	20	KHAD	
CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O	514301052	XDJNAVOESJMSTD-UHFFFAOYSA-N	508.575	3.930	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514375755	WOJYBJOROQBANY-FQEVSTJZSA-N	595.751	3.860	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)c1	514376566	CKKOICUOWLAHSM-GOSISDBHSA-N	523.677	3.541	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4ccc(OC)cc4)cs3)CC2)c(C(=O)OC)c1C	514378132	SDWQQLYFMQSYML-UHFFFAOYSA-N	593.705	3.801	0	20	KHAD	
O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(Cc2nc(O)c3sccc3n2)CC1	514380054	DIRNITBTSAICHP-UHFFFAOYSA-N	526.484	3.941	0	20	KHAD	
COC(=O)C[C@H](NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(OC)c(OC)c1	514389857	PHIJOAXGFYADBS-YDHSSHFGSA-N	512.603	3.906	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)N(CCOC)c1nc2ccccc2s1)c1c(O)nc(=O)n(CCCC)c1N	514401856	HAJVTTAPEWSJFC-UHFFFAOYSA-N	558.705	3.924	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)nnc1-c1ccc(OC)c(OC)c1	514404854	LJDWGJNUTFKNKD-GOSISDBHSA-N	544.674	3.856	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN(C)Cc2ccc(Br)s2)c1	514405128	QDVPNWLKMTVSBI-UHFFFAOYSA-N	504.472	3.620	0	20	KHAD	
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)ncnc43)[C@@H](OC)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	888087197	KXFBGUCGEWPHRA-HGVDDWNCSA-N	584.629	3.831	0	20	KHAD	
Cc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)n1-c1ccccc1	514295886	IJCPQXXUNXIOEK-UHFFFAOYSA-N	514.677	3.547	0	20	KHAD	
Cc1c(-c2ccccc2)sc(NC(=O)CSc2nnc(CCC(N)=O)n2CC(C)C)c1C(=O)N1CCOCC1	514303004	IJEAXBAVHRRLCQ-UHFFFAOYSA-N	570.741	3.592	0	20	KHAD	
CNC(=O)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1	514402592	PNKNETCKCFXRAZ-UHFFFAOYSA-N	517.957	3.687	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(OC)c2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1	514292329	MDJHOHPHYMOQPA-LJQANCHMSA-N	518.661	3.503	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)Nc1ccc(OCC)c(S(=O)(=O)N3CCCC3)c1)n2CC(C)C	514378039	DAEXOBPPCRDPKW-UHFFFAOYSA-N	588.731	3.509	0	20	KHAD	
O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(Br)ccc1N1CCOCC1	514388049	OFIBJAJBDXHCPH-UHFFFAOYSA-N	522.465	3.642	0	20	KHAD	
CCn1c(S[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514395616	OOPIODRLUHYPSI-GCJKJVERSA-N	541.699	3.870	0	20	KHAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(COc2cc(C)ccc2C)o1	514291041	CSXKJJAJGYPEEA-UHFFFAOYSA-N	589.740	3.863	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	514293214	SNOQCVLAPALANR-QFIPXVFZSA-N	575.131	3.842	0	20	KHAD	
O=C(C1CCN(c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)CC1)N1CCCCC1	514296255	IYYCIJYEDGEHKC-UHFFFAOYSA-N	510.704	3.954	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N(CCC)CC(=O)Nc1ccccc1OC)n2CC(C)C	514376477	AZGNRFJNNMOJRZ-UHFFFAOYSA-N	540.665	3.573	0	20	KHAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CCc2cccc(OC)c2OC)c(O)nc1=O	514382665	UWCGTESXZKGCNW-UHFFFAOYSA-N	510.591	3.523	0	20	KHAD	
CCCCn1c(CCC(=O)NCc2c(C)cc(C)nc2O)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514387340	DAGAEQPCONRVCM-UHFFFAOYSA-N	513.664	3.587	0	20	KHAD	
O=C1CSc2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3ccc(Cl)nc3)CC4)ccc2N1	1816970160	MQUYFBPRVKIMNZ-ZDUSSCGKSA-N	500.005	3.775	0	20	KHAD	
O=C1CCCC[C@H]1Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccccc1	514291919	IODGINWNRUNNDN-HSZRJFAPSA-N	512.657	3.618	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)NCCc1ccc(Cl)cc1)c1c(O)nc(=O)n(CCCC)c1N	514293901	ZWXCSGBJYPSXSA-UHFFFAOYSA-N	506.047	3.647	0	20	KHAD	
CCCn1c(CSc2nccc(C(F)(F)F)n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514303586	XFDFRZCOPCCCRS-UHFFFAOYSA-N	501.556	3.568	0	20	KHAD	
COc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C	514377406	ULLAGZHWXKWNFB-LAUBAEHRSA-N	512.632	3.602	0	20	KHAD	
COc1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1S(=O)(=O)N1CCOCC1	514377638	CWLTVQWBSPUNFL-UHFFFAOYSA-N	562.998	3.638	0	20	KHAD	
Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)N3CCN(Cc4cc(C)on4)CC3)cc2Cl)n1	520128874	UXIXIIIDSNRNIW-SFHVURJKSA-N	500.003	3.999	0	20	KHAD	
Cn1c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5c(Cl)cncc5s4)sc3C2)cccc1=O	1815843086	QTDJTRYHAXFVEC-NSHDSACASA-N	500.005	3.645	0	20	KHAD	
CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514292965	QIYJCAHORASYFQ-PZJWPPBQSA-N	513.685	3.914	0	20	KHAD	
COC(=O)c1ccc(OC[C@H](O)CSc2nnc(-c3ccc(OC)cc3)n2CC(C)C)c(OC)c1	514376596	ONJFWGBAXPZBNC-IBGZPJMESA-N	501.605	3.937	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1	514380489	OAWOHODNEKUJDS-UHFFFAOYSA-N	590.690	3.841	0	20	KHAD	
CCCCn1c(N)c(N(C(=O)CSc2nc3ccccc3c(=O)n2CCCC)C2CCCC2)c(O)nc1=O	514385797	VAOUDJMZNCDYSX-UHFFFAOYSA-N	540.690	3.909	0	20	KHAD	
COc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c2nccn2C)cc1	514390497	LRKAXDAZEJJMHS-VWLOTQADSA-N	524.687	3.969	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2CC)c1	514291365	DRZHOASVTFMIHO-UHFFFAOYSA-N	538.717	3.865	0	20	KHAD	
CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2-c2ccccc2Cl)CC1	514291590	GUKCCAXQPBGOJR-UHFFFAOYSA-N	634.180	3.502	0	20	KHAD	
CCN(C(C)=O)c1nc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)cs1	514377120	XTDXCWUOGGXOHE-UHFFFAOYSA-N	588.737	3.729	0	20	KHAD	
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1	514385035	XQFXBTWVJDILQN-HXUWFJFHSA-N	559.714	3.650	0	20	KHAD	
Cc1ccc(NC(=O)c2sc3[nH]c(CSc4nnc(C[C@H]5CCS(=O)(=O)C5)o4)nc(=O)c3c2C)c(C)c1	514387413	FWCGCUSSIBXDIS-OAHLLOKOSA-N	559.695	3.815	0	20	KHAD	
Cc1cn2c(=O)c(C(=O)N[C@H]3CCc4nc(NC(=O)c5ccc(Cl)cc5)sc4C3)cnc2s1	1822199053	OLBHCGJSQRYATI-AWEZNQCLSA-N	500.005	3.714	0	20	KHAD	
CC(C)c1ccc(Nc2nnc(SCC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)s2)cc1	514300918	TVMSUAXUXGWZPK-RBUKOAKNSA-N	510.707	3.692	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1cc2c(s1)CCCC2	514378645	UGNCUJDTXKJLOZ-UHFFFAOYSA-N	504.552	3.841	0	20	KHAD	
COC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)CC1	514395059	BMVCXDBCJYZUJH-KRWDZBQOSA-N	508.600	3.614	0	20	KHAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O	514404420	GYTKXPISBSTHNW-GOSISDBHSA-N	532.018	3.542	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1)c1c(O)nc(=O)n(CCCC)c1N	514300121	TWJWCODXNHYZPX-UHFFFAOYSA-N	634.800	3.847	0	20	KHAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514379533	CPPRTLFVPBYDKV-UHFFFAOYSA-N	582.601	3.821	0	20	KHAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(Cc3cccs3)C[C@H]3CCCO3)c12	514384203	QKODXLOFINEBQB-RTBURBONSA-N	514.673	3.860	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nnsc1C1CC1)CC2)c1cn2cc(Cl)ccc2n1	1818113120	CXTFEELLNGNQHX-LBPRGKRZSA-N	500.009	3.713	0	20	KHAD	
CCCCCN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1)c1c(O)nc(=O)n(CCCC)c1N	514292506	LICXMZNZLSGGSG-UHFFFAOYSA-N	566.684	3.998	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1	514377113	XOEWTGQRTNKUBT-FPOVZHCZSA-N	513.685	3.770	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)N(C)Cc1ccc(OCC)cc1)c1c(O)nc(=O)n(CCCC)c1N	514380650	RMUWWCGZKSWNEH-UHFFFAOYSA-N	515.655	3.692	0	20	KHAD	
O=C(c1cccc2ccccc12)N1CCC[C@@H](C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)C1	514392800	CMIZTFFEPFHCLD-JOCHJYFZSA-N	505.640	3.662	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc1	514291680	DOICGLVVGZWIOD-UHFFFAOYSA-N	525.718	3.667	0	20	KHAD	
COc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1S(=O)(=O)N1CCCCCC1	514299359	MMMYPDKQOGSDLD-UHFFFAOYSA-N	523.677	3.589	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2cccc(C(=O)NC3CC3)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514386945	AFIFRDHTMSTFKG-UHFFFAOYSA-N	511.648	3.550	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(CCC(N)=O)Cc3ccccc3)n2CC(C)C)c1	514392634	ZZORJAKDHQZNGK-UHFFFAOYSA-N	586.784	3.628	0	20	KHAD	
COC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc3n(-c4cc(C)ccc4C)c(=O)c4ccccc4n23)CC1	514395508	MDQSLHJHMXSZSG-SFHVURJKSA-N	519.627	3.542	0	20	KHAD	
CSCC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	514402284	NKQMDXZXBHFBTR-QWFCFKBJSA-N	542.123	3.750	0	20	KHAD	
O=C(c1cnc2snnc2c1)N1CCO[C@@]2(CCN(C(=O)c3sc4ccccc4c3Cl)C2)C1	1777810879	PRNGXPPFDSFZIC-JOCHJYFZSA-N	500.005	3.712	0	20	KHAD	
CS(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1	514381616	LITVCIFNONSEQL-UHFFFAOYSA-N	511.065	3.662	0	20	KHAD	
O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1	514384497	SZFAJQASNUYEPD-GOSISDBHSA-N	525.096	3.896	0	20	KHAD	
CC(C)CN1CCO[C@@H](CNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)C1	514386068	BRZUIMWFMJEYAP-NRFANRHFSA-N	545.507	3.657	0	20	KHAD	
COc1ccc(C)cc1-n1nnnc1SCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	514392520	XEWGJTCXHWAQTL-UHFFFAOYSA-N	537.067	3.538	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1	514292788	MHJMWQRZWKOFMS-UNMCSNQZSA-N	599.845	3.855	0	20	KHAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1n[nH]c(Cc2cccs2)n1	514301698	CMHVBOQTJBUKFR-UHFFFAOYSA-N	503.650	3.822	0	20	KHAD	
CC(C)OCCCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc2c1=O	514301838	DQUCHEZHMIFFFS-SJORKVTESA-N	567.133	3.870	0	20	KHAD	
COc1ccc(-c2nnc(SCC(=O)N3CCc4cc(OC)c(OC)cc4C3)n2C[C@@H]2CCCO2)cc1	514385531	KSHNGXWWTYLASH-QFIPXVFZSA-N	524.643	3.827	0	20	KHAD	
Cc1ccc(-n2c(S[C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)nc3sc4c(c3c2=O)CCCC4)cc1C	514388576	PPBWGZMLRSNLNM-IRXDYDNUSA-N	531.725	3.727	0	20	KHAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1)c1cnc(N2CCCCC2)s1	514390028	VKRGHHMSIFRPBN-UHFFFAOYSA-N	516.668	3.838	0	20	KHAD	
CCCCn1c(CCC(=O)NC[C@@H](c2ccco2)N2CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514291751	HBKTZKQYPOHBOV-QHCPKHFHSA-N	515.680	3.566	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1	514293869	ULPUBYCHDVDJIO-IBGZPJMESA-N	534.103	3.862	0	20	KHAD	
CCn1c(CSc2nnc(C(C)C)n2Cc2ccco2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514304439	UNJDRYMBVAMBFN-UHFFFAOYSA-N	530.676	3.726	0	20	KHAD	
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1	514388605	QQAONAZGTRGYBA-UHFFFAOYSA-N	531.462	3.876	0	20	KHAD	
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1	514390822	WIEJXNONROUBAI-UHFFFAOYSA-N	506.049	3.990	0	20	KHAD	
CN(C(=O)CSc1ccccc1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CCCCC1	514296710	UCVXACQOAFEKBT-UHFFFAOYSA-N	549.690	3.982	0	20	KHAD	
C[C@@H](NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1)[C@H]1C[C@H]2CC[C@H]1C2	514376758	QVSRBMYFHIDVHF-IZZGNVEXSA-N	585.752	3.640	0	20	KHAD	
CCOCCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)nc2cc(Cl)ccc2c1=O	514386130	FFGAJTHTINAZKC-UHFFFAOYSA-N	582.148	3.524	0	20	KHAD	
CCCCCn1c(CCC(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)nc2c1c(O)nc(=O)n2CCCC	514405641	ZREFYVXOFCITDC-QHCPKHFHSA-N	537.640	4.000	0	20	KHAD	
CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1	514405785	ZGBJNVZYJAEDFM-IBGZPJMESA-N	552.527	3.572	0	20	KHAD	
Cc1ccn2c(=O)c(C(=O)N[C@H]3CCc4nc(NC(=O)c5sccc5Cl)sc4C3)cnc2c1	1820889721	JNYFRGRPBSMSAP-LBPRGKRZSA-N	500.005	3.714	0	20	KHAD	
Cc1cccc(Cl)c1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)nc4sccn34)sc2C1	1821155835	OUEGWUXMAUDLGB-LBPRGKRZSA-N	500.005	3.714	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)c(NCc2cc(=O)n3ccsc3n2)c1	514300343	PFDCUVNHXYIEIS-UHFFFAOYSA-N	582.752	3.734	0	20	KHAD	
CN(C)S(=O)(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)ccc1Cl	514380014	HBHLUFVELRIGQN-UHFFFAOYSA-N	554.012	3.649	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)c1	514385807	VLCRSOWGXODPNO-UHFFFAOYSA-N	577.773	3.822	0	20	KHAD	
O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514393220	SELILFCBRHBGQI-UHFFFAOYSA-N	523.442	3.884	0	20	KHAD	
CCOc1ccc([C@@H](CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c2c[nH]c3ccccc23)cc1OC	514404744	KVXQSQBTALELPL-NGOKVRLYSA-N	504.587	3.544	0	20	KHAD	
CCc1c(C)sc2nc(S[C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)n(C[C@H]3CCCO3)c(=O)c12	514294409	YZMFJVZWPRQVFX-QZTJIDSGSA-N	544.699	3.566	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Sc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)ccc1C	514376366	JHZSRFBTBFROJD-MRXNPFEDSA-N	554.716	3.536	0	20	KHAD	
O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)Nc1ccc(Sc2nncs2)c(Cl)c1	590482281	BJVLQJXCAMQELJ-IBGZPJMESA-N	500.005	3.757	0	20	KHAD	
CCC[C@H](CNC(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)n1C)c1ccc(Cl)cc1Cl	514391877	RYACYQRCZYMZPP-KGLIPLIRSA-N	505.493	3.816	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1	514394555	YMPXMCXGFQCNEG-UHFFFAOYSA-N	525.693	3.786	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc(=O)c4c(C)c(C(=O)OC)sc4[nH]3)n2[C@@H](C)COC)c1	514403630	WHLCYTOVSAKRDD-HNNXBMFYSA-N	620.779	3.868	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)n1CCN1CCOCC1)N(C)C	514294447	ZWTPRLQHTBFKFS-LJQANCHMSA-N	516.634	3.579	0	20	KHAD	
CCCCn1c(CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514295561	IPAMCVLPDPPGBG-RUZDIDTESA-N	582.723	3.925	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)CC2)cc1	514297713	WSCVEDXWTLZGJQ-UHFFFAOYSA-N	556.106	3.563	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)s1	514393099	NQAIVHPYQMDJKB-GOSISDBHSA-N	518.126	3.600	0	20	KHAD	
Nc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(-c5ccccc5Cl)[nH]n4)sc3C2)cs1	1821578972	URQZPDDGHKQNNK-SNVBAGLBSA-N	500.009	3.765	0	20	KHAD	
COC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCC/C=C/c1nc3ccc(OC)cc3nc1O2	118225440	FECQATNLQHJOIB-IZMSVSEVSA-N	566.655	3.886	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nc(O)c3c4c(sc3n2)CCCC4)sc(C(=O)NC)c1C	514374081	HOTARCGOYUNSOT-UHFFFAOYSA-N	520.658	3.913	0	20	KHAD	
C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1)C(=O)NC1CCCC1	514374895	HKIHWHIPWJFZGQ-IBGZPJMESA-N	573.716	3.693	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	514376719	QARROWQAQBPQKR-RCZVLFRGSA-N	517.648	3.838	0	20	KHAD	
CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1	514386802	CRVGNWBVYYFJGK-UHFFFAOYSA-N	533.594	3.733	0	20	KHAD	
CCCn1c(CSCC(=O)Nc2cc(C)ccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401097	MBJKEURCCZMOFC-UHFFFAOYSA-N	532.688	3.656	0	20	KHAD	
O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	514292255	JOQIMCXKZKOFLB-UHFFFAOYSA-N	500.573	3.539	0	20	KHAD	
Cc1ccn2c(CN3CCN(C(=O)C4CCN(S(=O)(=O)c5cccc(C(F)(F)F)c5)CC4)CC3)c(C)nc2c1	514382387	MEUDRRROLPIZLR-UHFFFAOYSA-N	563.646	3.715	0	20	KHAD	
CCCCCn1c(S[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3	514388237	MEOQISUSMHRDIA-CVEARBPZSA-N	511.735	3.653	0	20	KHAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514393037	LQXQBMMWGSUKFO-IBGZPJMESA-N	541.674	3.674	0	20	KHAD	
CCCCN(C(=O)CSc1nc2ccc(Br)cc2c(=O)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1	514404202	BXBSIGYEKDSCQS-QGZVFWFLSA-N	544.537	3.723	0	20	KHAD	
CCc1cc[n+](/C(C(=S)NCC(F)(F)F)=C(/O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1	725760563	QWNJVXLGBSLMGO-UHFFFAOYSA-O	500.588	3.612	0	20	KHAD	
CCOc1ccccc1N1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2CC)CC1	514297094	RULXECOXBDNFFP-UHFFFAOYSA-N	541.718	3.767	0	20	KHAD	
CCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1)c1c(O)nc(=O)n(CCCC)c1N	514297474	WJWCLSHDGUJBFX-UHFFFAOYSA-N	571.700	3.607	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1	514299263	JAIBWCDUNOGCIT-IBGZPJMESA-N	548.514	3.889	0	20	KHAD	
O=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1	514380564	NCEITZRVARABMP-UHFFFAOYSA-N	523.478	3.545	0	20	KHAD	
COc1ccc(-c2nnc(SCC(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)o2)cc1OC	514385372	FVQSHEGSFMLYKC-UHFFFAOYSA-N	565.574	3.648	0	20	KHAD	
COc1cc(OC)cc([C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)c2nccn2C)c1	514395294	HLTLCDYGPUKTFI-HOYKHHGWSA-N	512.632	3.520	0	20	KHAD	
COc1cc([C@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1OC(F)F	514405231	SMJXRWMAJVCQTI-SOLBZPMBSA-N	515.538	3.987	0	20	KHAD	
CCCn1c(CCC(=O)NC[C@H](c2ccco2)N2CCCC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514291716	GAARLDRUTKNWIN-XMMPIXPASA-N	529.707	3.956	0	20	KHAD	
Cc1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)s2)c(=O)n(-c2ccccc2)n1C	514299091	DGVPYTMQNVUUEH-NBOOPKSLSA-N	510.645	3.606	0	20	KHAD	
CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)o1	514300695	QKIASNBWGHVMOD-IRXDYDNUSA-N	532.644	3.664	0	20	KHAD	
C[C@H](SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1nc2ccccc2[nH]1	514376500	NFOXQAXRHIHKIS-SFHVURJKSA-N	529.688	3.617	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)NCc1nc2ccccc2s1)c1c(O)nc(=O)n(CCCC)c1N	514377730	GZVRPDRKUWLASN-UHFFFAOYSA-N	514.652	3.561	0	20	KHAD	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)N3CCOCC3)CC2)c1C	514379478	ATHZTNIVYRGMNP-HSZRJFAPSA-N	519.733	3.572	0	20	KHAD	
CCN(C(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1	514388555	PEECNDBAUWTXEB-DOTOQJQBSA-N	500.086	3.612	0	20	KHAD	
CCCn1c(CCC(=O)NCCc2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514390172	AETQRAINXCRZLR-UHFFFAOYSA-N	528.675	3.540	0	20	KHAD	
Cc1ccc(-c2nnc(SCC(=O)N3CCCc4cc(S(=O)(=O)N5CCCC5)ccc43)n2C)cc1	514390209	BMLTZQUSHXHMHZ-UHFFFAOYSA-N	511.673	3.647	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2nnc(S[C@H](C)C(=O)Nc3ccc(C)cc3Br)n2c1	514391505	LUPWMNNKIRNXOE-CQSZACIVSA-N	526.482	3.950	0	20	KHAD	
CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N1CCN(c2nccs2)CC1	514393239	UDFMOPGMDFGKNK-HNNXBMFYSA-N	543.058	3.564	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CSc1nccc(C(F)(F)F)n1	514394001	FBQXTFQFHGPQGD-UHFFFAOYSA-N	504.556	3.800	0	20	KHAD	
CN(C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1)Cc1ccccc1	514291739	GXTPGUOAIHSROA-FQEVSTJZSA-N	587.378	3.901	0	20	KHAD	
C[C@@H](NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)[C@@H]1C[C@H]2CC[C@H]1C2	514293965	YDTPAPOTDHVBPU-WKRCXCSHSA-N	504.678	3.944	0	20	KHAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	514298300	ZUDUHHNIHCNDQH-SANMLTNESA-N	570.708	3.672	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(Br)cc2F)c1	514381641	MOAYWEGOPQOBLU-UHFFFAOYSA-N	514.417	3.708	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nnc(COc2ccc(OC)cc2)n1-c1ccccc1F)[C@H]1CCS(=O)(=O)C1	514389060	XYCJBZRYDOVAJF-MSOLQXFVSA-N	548.662	3.510	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1	514375733	UYPUWSAFVMPGTE-JOCHJYFZSA-N	513.689	3.854	0	20	KHAD	
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1OC	514296186	MZLWJZIFXDLYQD-UHFFFAOYSA-N	529.640	3.589	0	20	KHAD	
CCOC(=O)c1sc2ncn(CC(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)c(=O)c2c1C	514376559	NWUXLPSSUULKNB-UHFFFAOYSA-N	567.089	3.800	0	20	KHAD	
COc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1S(=O)(=O)N1CCCCCC1	514378677	UZHVWXJRFONOAO-UHFFFAOYSA-N	538.464	3.699	0	20	KHAD	
C[C@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	514383193	IBIKPDKRDVQFEU-IBGZPJMESA-N	574.704	3.537	0	20	KHAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C)n2CC(C)C	514387126	COKLYQOJQIJTEG-QFIPXVFZSA-N	540.068	3.980	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3c(C)nn(Cc4ccccc4)c3C)CC2)cc1	514389075	YETKFKZLIFOPAZ-UHFFFAOYSA-N	510.660	3.664	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)N2CCc3sccc3C2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514395939	XNZWTTQENCPBAQ-KRWDZBQOSA-N	531.729	3.877	0	20	KHAD	
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C	2048532283	VAXGNKFGOGWGCI-WOJBJXKFSA-N	539.670	3.578	0	20	KHAD	
Nc1c(N(CCC2=CCCCC2)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(O)nc(=O)n1Cc1ccccc1	514295976	MURAUILJZWBRRB-UHFFFAOYSA-N	591.734	3.904	0	20	KHAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(C)cc2Cl)c(C(=O)OC)c1C	514297432	UDCJXWIRBVKLQT-HNNXBMFYSA-N	549.092	3.630	0	20	KHAD	
CCCCCn1c(SCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)nc2ccc(Br)cc2c1=O	514303875	QBEXZHVQDWUXGU-KRWDZBQOSA-N	582.546	3.945	0	20	KHAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)CC1	514382826	WKOOIXPDZJTLFU-UHFFFAOYSA-N	526.703	3.653	0	20	KHAD	
COCCn1c(S[C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)nc2ccc(Br)cc2c1=O	514395170	DTGXNYPBPSFXLZ-HNNXBMFYSA-N	550.475	3.662	0	20	KHAD	
COCCCn1c(S[C@H](C)C(=O)NCCOc2cccc(C)c2)nnc1-c1ccc(OC)c(OC)c1	514395871	WDDIZJIFKZIIPJ-LJQANCHMSA-N	514.648	3.983	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccc(Cl)cc3)c3nccn3C)CC2)cc1	514401951	CPEGYGPKVUJQIZ-QHCPKHFHSA-N	517.051	3.779	0	20	KHAD	
CC(C)[C@@H](Sc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)C(=O)N[C@@H]1CCS(=O)(=O)C1	514404228	CRKBEDAFRMWMOJ-FOIQADDNSA-N	523.746	3.872	0	20	KHAD	
O=C(OC[C@H]1O[C@@H](n2ccc(O)cc2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	199168660	GUEPFYBEHGIHIW-YULOIDQLSA-N	555.539	3.760	0	20	KHAD	
CC(C)CN(C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1	514291320	DVEMZGWOUDLWSZ-HXUWFJFHSA-N	546.633	3.568	0	20	KHAD	
Cc1ccc(NC(=O)[C@H](C)Sc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1	514293544	SNWCXPVBTNZCNB-OALUTQOASA-N	593.175	3.992	0	20	KHAD	
C[C@H](NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)[C@H]1C[C@H]2CC[C@H]1C2	514293963	YDTPAPOTDHVBPU-RYLXDESZSA-N	504.678	3.944	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	514376717	QARROWQAQBPQKR-DHLKQENFSA-N	517.648	3.838	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1OCC(F)(F)F)n2CC	514378695	VJCUYRRRBGFTBA-UHFFFAOYSA-N	675.752	3.620	0	20	KHAD	
COc1ccc([C@@H](CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1OC	514381135	YXIYKPWOJNVTKD-MUUNZHRXSA-N	672.826	3.871	0	20	KHAD	
COCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1	514385721	SFXDCOXQLORXJU-NRFANRHFSA-N	535.091	3.650	0	20	KHAD	
CCOc1ccc(-n2c(S[C@@H](C)C(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2)cc1	514388626	RPXVJNVEETWKLR-GHTZIAJQSA-N	514.673	3.849	0	20	KHAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H](CSC)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)cc1	514402886	GRGQLQXEHUXCFQ-VSKRKVRLSA-N	545.683	3.650	0	20	KHAD	
COc1c(Br)c(Br)c(NC(=O)C2=NCCN2)c(Br)c1Br	1857523664	AFQUQOBKQLLGLK-UHFFFAOYSA-N	534.828	3.685	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCc3ccccc3C)n2[C@@H](C)COC)c1	514298859	IQFQBKXTRRSKKV-NRFANRHFSA-N	559.758	3.942	0	20	KHAD	
O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514377133	YFCYMQXBEHPWPZ-UHFFFAOYSA-N	605.064	3.753	0	20	KHAD	
CCCn1c(CCC(=O)NC[C@H](c2ccccc2)N(C)C)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514380791	QLSPFEIEJAZPPB-RUZDIDTESA-N	511.692	3.583	0	20	KHAD	
COC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@@H]2CCCN(C(C)=O)C2)cc1	514388547	OYBGGKDVWGFJCD-OAQYLSRUSA-N	543.642	3.637	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)sc(C(=O)NC)c1C	514290858	ASGSSENHFYSUAM-UHFFFAOYSA-N	534.685	3.511	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Sc2nnc3n(CCCOC)c(=O)c4ccccc4n23)c1	514290912	CXIDBBUYCROQKQ-KRWDZBQOSA-N	607.158	3.884	0	20	KHAD	
CC[C@H](c1nnc(SCC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)n1CCN1CCOCC1)N(C)C	514293302	PXXXYIBFHMDIGP-UKILVPOCSA-N	582.771	3.856	0	20	KHAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)sc(C(N)=O)c1C	514293439	RTMYMAMTJGNFFM-INIZCTEOSA-N	547.634	3.640	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514294255	ZWVSLIXZPKDIPN-UHFFFAOYSA-N	602.765	3.596	0	20	KHAD	
Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C2CC2)cc1S(=O)(=O)N1CCOCC1	514299209	CRSFQICJERUMMR-INIZCTEOSA-N	533.701	3.790	0	20	KHAD	
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1	514394802	SXKXSPNCISNKQH-PMACEKPBSA-N	523.659	3.924	0	20	KHAD	
O=C(Cc1csc(-c2ccccc2)n1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1	514402017	JJIRRVMNXPCJML-NRFANRHFSA-N	542.683	3.603	0	20	KHAD	
COC(=O)c1ccc2c(O)nc(CSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)n3C3CCCC3)nc2c1	514299751	QLYSFUGAHBLKQG-UHFFFAOYSA-N	610.718	3.809	0	20	KHAD	
CC(C)CN(C(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514377114	XOEWTGQRTNKUBT-PZJWPPBQSA-N	513.685	3.770	0	20	KHAD	
CSCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)c1nnc2ccccn12	514390058	WNJYVBHAPRBHDV-UEXGIBASSA-N	501.678	3.620	0	20	KHAD	
O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1	514394318	TVMFQJWWDLHDKK-UHFFFAOYSA-N	523.442	3.884	0	20	KHAD	
CC(=O)N[C@@H](CC(=O)N1CCN(Cc2c(C)nc3cc(C)ccn23)CC1)c1ccc(Br)cc1	514298997	CBCUUMPGUMXMRV-QFIPXVFZSA-N	512.452	3.625	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1cccc(C(F)(F)F)c1	514378959	ZYBBDZADDMNLQE-UHFFFAOYSA-N	512.428	3.920	0	20	KHAD	
CCN1CCc2nc(NC(=O)c3ccc(N4CCCCC4)c(S(=O)(=O)N4CCCCC4)c3)sc2C1	514393997	DZGHNIHRFSNLLO-UHFFFAOYSA-N	517.721	3.938	0	20	KHAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCCNC(=O)NC3CCCCC3)ccc2OC)cc1	514395184	FDNREKBVHTXYSZ-UHFFFAOYSA-N	518.636	3.855	0	20	KHAD	
COc1cc(OC)cc([C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c2nccn2C)c1	514394013	FIYLFJAAAIQDEX-XMMPIXPASA-N	512.632	3.521	0	20	KHAD	
Cc1nc(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c2c(C)c(C)sc2n1	514291325	FCRVOSZKWDQLMM-HNNXBMFYSA-N	506.675	3.757	0	20	KHAD	
COc1ccc(OCc2nnc(SCC(=O)N3CCN(C(C)=O)CC3)n2-c2cccc(C(F)(F)F)c2)cc1	514293816	TVZWZTPOJKIZMK-UHFFFAOYSA-N	549.575	3.657	0	20	KHAD	
Cc1cc(C)cc(OC[C@H](O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)c1	514380098	JIUZIWCTZAFHRH-QHCPKHFHSA-N	584.720	3.756	0	20	KHAD	
COc1ccc(-c2nnc(SCC(=O)N3CCc4cc(OC)c(OC)cc4C3)n2C[C@H]2CCCO2)cc1	514385530	KSHNGXWWTYLASH-JOCHJYFZSA-N	524.643	3.827	0	20	KHAD	
CCCCCn1c(CCC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)nc2c1c(O)nc(=O)n2CCCC	514391019	XRMWWJGMCLGWHG-HSZRJFAPSA-N	537.640	4.000	0	20	KHAD	
CCCCn1c(CN2CCC(NC(=O)c3ccccc3)CC2)nc2c1c(O)nc(=O)n2Cc1ccccc1	514392184	RWYJJKPYBJQEGT-UHFFFAOYSA-N	514.630	3.541	0	20	KHAD	
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)N2CCOCC2)cc1OC	514395582	OBSFVELLFMRKNV-JOCHJYFZSA-N	586.538	3.601	0	20	KHAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)c12	514383601	HMKVWTSTXOYSTQ-GOSISDBHSA-N	552.682	3.675	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc1)n2CC	514293514	RMXKLVIPYIFXRP-UHFFFAOYSA-N	613.766	3.866	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1	514300758	TVERHYRZXKRWBY-UHFFFAOYSA-N	513.557	3.590	0	20	KHAD	
C[C@@H](Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)o1)c1ccccc1	514386229	IJNXOZUBABRUBJ-IBGZPJMESA-N	526.684	3.530	0	20	KHAD	
CCCn1c(CSCC(=O)Nc2c(C)cccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514387510	OCMRLNSCKKSWBS-UHFFFAOYSA-N	516.689	3.956	0	20	KHAD	
COC(=O)C[C@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccc(OC)c(OC)c1	514389884	QFLRQRRFGVMJEQ-FQEVSTJZSA-N	533.419	3.739	0	20	KHAD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccc(OC)cc1	514394412	MOYZVTVXFWGEDZ-UHFFFAOYSA-N	516.447	3.890	0	20	KHAD	
COc1ccc([C@H](CNC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)N2CCOCC2)cc1OC	514394605	PDXGJAUXDDKGPX-MJGOQNOKSA-N	546.715	3.842	0	20	KHAD	
CC[C@@H](C)n1c(SCC(=O)Nc2cc(C)no2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514402221	LVZRCKSBDPTAAU-MRXNPFEDSA-N	506.654	3.974	0	20	KHAD	
CCc1cccc[n+]1/C(C(=S)Nc1ccc2c(c1)OC(F)(F)O2)=C(/O)c1ccc(O)c(C(N)=O)c1	920397928	ZSRPLMGIGFKYQJ-UHFFFAOYSA-O	500.503	3.986	0	20	KHAD	
CCCCn1c(CCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514302709	QUMBRPBCTZEPOQ-GDLZYMKVSA-N	597.782	3.752	0	20	KHAD	
CCc1c(C)sc2nc(SCC(=O)c3ccc(NS(C)(=O)=O)cc3)n(C[C@H]3CCCO3)c(=O)c12	514381601	KQQQVHHEWNSUHZ-QGZVFWFLSA-N	521.686	3.854	0	20	KHAD	
COCCCn1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2ccccc2c1=O	514293509	SGKMZVUHBHBEKF-IBGZPJMESA-N	544.699	3.727	0	20	KHAD	
CCCCN(C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1c(O)nc(=O)n(CCCC)c1N	514295084	GREOJZNPBPZNEQ-UHFFFAOYSA-N	555.701	3.718	0	20	KHAD	
COc1ccc(CCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1OC	514381458	FYKREVLIRSQSNX-UHFFFAOYSA-N	629.758	3.895	0	20	KHAD	
Cc1cc(Br)c(NC(=O)CSc2nnc(CCC(N)=O)n2CC(C)C)c(Br)c1	514382714	BBKQBYVGUOXJGF-UHFFFAOYSA-N	533.290	3.916	0	20	KHAD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3ccc(S(=O)(=O)N[C@H]4CCS(=O)(=O)C4)cc3)cc2C1	514383423	DLNAROVYRPABNZ-AEFFLSMTSA-N	510.703	3.617	0	20	KHAD	
COc1ccc(C(=O)N2CCC[C@@H](C(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)C2)c2ccccc12	514387365	FEDJPAWDMPBAHB-HXUWFJFHSA-N	549.672	3.890	0	20	KHAD	
O=C(c1cnc2snnc2c1)N1CC[C@]2(C1)CN(C(=O)c1cc3c(Cl)cccc3s1)CCO2	1780069009	JHGRNZKUKQMIDF-QFIPXVFZSA-N	500.005	3.712	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514294995	FIMAVMANSSEZJT-UHFFFAOYSA-N	631.423	3.751	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1	514378117	RVGBVISEUOKUKX-LJQANCHMSA-N	535.688	3.543	0	20	KHAD	
CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	514381431	FGANISNNTPYXHP-OMQIJLIKSA-N	511.648	3.573	0	20	KHAD	
O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	514393510	DBSMIWOWQSNIPX-KRWDZBQOSA-N	576.469	3.707	0	20	KHAD	
CCCCCN(C(=O)CCC(=O)NCCc1ccc(OC(F)F)cc1)c1c(O)nc(=O)n(CCCC)c1N	514299174	BLLKEQWEQOBISP-UHFFFAOYSA-N	537.608	3.595	0	20	KHAD	
CC[C@@H](c1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)n1CCN1CCOCC1)N(C)C	514375006	JQMNJRRAWJXZAA-QFIPXVFZSA-N	502.729	3.542	0	20	KHAD	
CCOC(=O)[C@H]1CCCN(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)C1	514375639	UEWJLNRWQLJEQO-SFHVURJKSA-N	537.633	3.748	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)c1	514381729	PRDZERLDCYQUGQ-UHFFFAOYSA-N	548.152	3.976	0	20	KHAD	
COc1cc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)N[C@H](C(C)C)C2=O)ccc1OC(F)F	514387626	LBSGEXOUXBFSRW-MGPUTAFESA-N	506.531	3.612	0	20	KHAD	
CCCOc1c(Br)cc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1OC	514392875	GGXVDGMJHRNFOL-UHFFFAOYSA-N	514.424	3.730	0	20	KHAD	
O=C(COc1ccc(Cl)cc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1	514401858	HCZBGIVCSVSCJN-QGZVFWFLSA-N	544.457	3.623	0	20	KHAD	
CCN1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)c(C)c2)CC1	514403745	PBPGNDKOUGSTJJ-UHFFFAOYSA-N	510.704	3.665	0	20	KHAD	
CCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CC)CCCC3)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514293771	XCQYSPIFLXFGOX-UHFFFAOYSA-N	580.736	3.785	0	20	KHAD	
COc1ccc(-c2noc(CN3CCN(C(=O)C4CCN(S(=O)(=O)c5c(Cl)cccc5Cl)CC4)CC3)n2)cc1	514302974	HQNYHNVUAHLEMS-UHFFFAOYSA-N	594.521	3.797	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O	514385716	SECGHSGEZBJXHQ-GOSISDBHSA-N	546.621	3.583	0	20	KHAD	
NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(CNC(=O)C45CC6CC(CC(C6)C4)C5)cc3)CC2)cc1	514388137	VOBYIWVVQSBXMV-UHFFFAOYSA-N	578.735	3.658	0	20	KHAD	
CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	514388909	VBXWIXRJZVMWMB-MJGOQNOKSA-N	502.637	3.649	0	20	KHAD	
CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Br)cc3)c2)CC1	514401529	YICAUJIXFZNGQM-UHFFFAOYSA-N	564.911	3.904	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1oc2ccc(CCC(C)=O)cc2c1C	514292301	KDCXXLNJPPXMGD-UHFFFAOYSA-N	500.573	3.545	0	20	KHAD	
COc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1OC	514299562	FIUVBYRWEVPPQQ-UHFFFAOYSA-N	504.649	3.727	0	20	KHAD	
CCCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1OC	514377704	FWHNMPDRHWHFBF-UHFFFAOYSA-N	513.012	3.809	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)c(O)nc1=O	514378913	JUJMLIHHDQXHLI-UHFFFAOYSA-N	663.433	3.946	0	20	KHAD	
C[C@H]1c2ccsc2CCN1C(=O)CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	514389147	ZWCZNUBWKJVCIL-IBGZPJMESA-N	539.745	3.517	0	20	KHAD	
CCc1c(C)sc2nc(S[C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)n(C[C@H]3CCCO3)c(=O)c12	514293922	UXPGYPLVUOXXIU-AZUAARDMSA-N	606.792	3.648	0	20	KHAD	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)cc2)C[C@H](C)O1	514377501	YMTPUNNTFKUKNQ-IRXDYDNUSA-N	531.034	3.993	0	20	KHAD	
Cc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)n2)cc1C	514381773	ROJYLPLBZADOGQ-UHFFFAOYSA-N	542.683	3.537	0	20	KHAD	
COc1ccccc1-n1c(S[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nnc1N1CCCCC1	514384495	SYDJYNYIFBZUBV-HNNXBMFYSA-N	548.591	3.919	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)c1	514386028	ZKYSKDJSLMLTRY-UHFFFAOYSA-N	550.747	3.827	0	20	KHAD	
CC(C)[C@@H](NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccc2c(c1)OCCO2	514386765	BKOKKOHCWAPYKQ-AREMUKBSSA-N	534.579	3.546	0	20	KHAD	
CCCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1	514395017	ARXLTHMDHYFRCT-FPOVZHCZSA-N	513.685	3.660	0	20	KHAD	
CCOc1ccc(Cc2cc([C@@H]3O[C@@H](CO[C@]4(c5ccc(Cl)c(Cc6ccc(OCC)cc6)c5)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1	2048532152	JCJKULUVIFDVLR-QVGLSQFDSA-N	815.740	3.838	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)o2)c1	514292901	PCFRNHUMQIWPQC-UHFFFAOYSA-N	547.703	3.654	0	20	KHAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	514298299	ZUDUHHNIHCNDQH-AREMUKBSSA-N	570.708	3.672	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1	514388861	UEGWHYJJRARLQK-QFIPXVFZSA-N	551.665	3.750	0	20	KHAD	
Cn1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4csc(-c5cccnc5)n4)sc3C2)c1Cl	1817368514	IXSSZZJWCYBGDJ-LBPRGKRZSA-N	500.009	3.588	0	20	KHAD	
CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1	514292322	MCJRDLGMXJKETE-BEFAXECRSA-N	513.664	3.859	0	20	KHAD	
CCCCn1c(CCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)nc2cc(S(=O)(=O)N(C)C)ccc21	514300197	LLOWJCVOUOIFBP-UHFFFAOYSA-N	511.648	3.567	0	20	KHAD	
C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2)C(=O)NCC1CCCCC1	514374335	AADXTIHRILJHFM-OAQYLSRUSA-N	627.789	3.920	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@H](Cc3ccccc3)C(C)=O)n2[C@H](C)COC)c1	514374922	IGLDGBMZMWRXGX-CJFMBICVSA-N	587.768	3.592	0	20	KHAD	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)c2)C[C@@H](C)O1	514377516	YUMHPZXHXGQXQM-CALCHBBNSA-N	531.034	3.993	0	20	KHAD	
CCOc1cc2c(cc1CNC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)O[C@@H](C)C2	514384791	XFHCHORVLQUINK-HKUYNNGSSA-N	538.670	3.583	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CSc2nc3ccccc3c(=O)n2CC)c1	514385244	DZENALRJZIXQAQ-UHFFFAOYSA-N	532.688	3.965	0	20	KHAD	
COCCn1c(S[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2scc(-c3ccccc3Cl)c2c1=O	514388952	WGMCPMIQOVAXBX-CABCVRRESA-N	556.131	3.551	0	20	KHAD	
C[C@@H]1Cc2cc(/C(O)=C(/C(=S)NCCc3cccs3)[n+]3ccccc3)ccc2N1S(C)(=O)=O	727813812	NIKBHEZPFXCXPF-QGZVFWFLSA-O	500.691	3.790	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3cc(C)nn3-c3nc(C)cc(C)n3)n2C)cc1	514300908	SLOIYMUUCHYDCZ-UHFFFAOYSA-N	505.652	3.960	0	20	KHAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1	514376509	BPMHLLWCYCMWLC-RUZDIDTESA-N	558.697	3.917	0	20	KHAD	
CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1	514377837	LJPURCFQYDPCLV-UHFFFAOYSA-N	509.053	3.816	0	20	KHAD	
COc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)N[C@H](C)CCCC(C)C)cc2)ccc1NC(C)=O	514394992	ZSMWTBIORLEGQU-GOSISDBHSA-N	532.663	3.515	0	20	KHAD	
CCCCN(C(=O)CSc1nc2sc(C)c(CC)c2c(=O)n1C[C@H]1CCCO1)c1c(O)nc(=O)n(CC(C)C)c1N	514405447	WOFIITJNYREJBY-GOSISDBHSA-N	604.799	3.934	0	20	KHAD	
COc1ccc(CCn2c(C)cc(C(=O)CSc3nnc(O)n3C[C@H]3CCCO3)c2C)cc1OC	514291531	GUKDVSQCSCULQO-LJQANCHMSA-N	500.621	3.816	0	20	KHAD	
COCCN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCCOC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514292357	KMKZLJZUKXAEMF-UHFFFAOYSA-N	643.166	3.530	0	20	KHAD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1	514296096	JOVSRTGNQOIQTG-SFHVURJKSA-N	521.536	3.601	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCC(=O)Nc3cc(C)on3)n2[C@@H](C)COC)c1	514377380	SWJWAALLHHWCOC-INIZCTEOSA-N	536.680	3.600	0	20	KHAD	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1S(=O)(=O)N1CCCCC1	514378918	ZFYMXDPEXCDCSR-UHFFFAOYSA-N	549.715	3.526	0	20	KHAD	
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CCC(N)=O)n2CC(C)C)sc2c1CCCC2	514405568	XRJANEBIJWLWNY-CQSZACIVSA-N	507.682	3.588	0	20	KHAD	
O=C1CSc2cc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cc(Cl)ccn5)sc4C3)ccc2N1	1820387889	IMTVTPPXMDOGJI-CYBMUJFWSA-N	500.005	3.775	0	20	KHAD	
Cc1nnsc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(-n4cccn4)cc3Cl)sc2C1	1823183610	RLWZSBLNHFCBQX-GFCCVEGCSA-N	500.009	3.682	0	20	KHAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCC(CCc3ccc(OC)cc3)CC2)CC1	514298809	GUXFXUQMSKEYBG-UHFFFAOYSA-N	528.671	3.754	0	20	KHAD	
COc1ccc2cc(CN(C)C(=O)C3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)ccc2c1	514300465	PRNVYTZCNDRYQY-UHFFFAOYSA-N	512.628	3.925	0	20	KHAD	
CCn1c(CCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514301922	HNSNKPJRCZZNLJ-UHFFFAOYSA-N	535.674	3.863	0	20	KHAD	
C[C@@H](Sc1nc2cc(-c3ccccc3)sc2c(=O)n1CCN1CCOCC1)C(=O)NC(C)(C)C	514302693	QAQZZEMLGWGFTB-QGZVFWFLSA-N	500.690	3.853	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514375300	NDXMAJRZNBAGJI-IRXDYDNUSA-N	520.652	3.574	0	20	KHAD	
COC(=O)c1cc(Br)ccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1	514382600	ROOVORFFUMGRCI-HNNXBMFYSA-N	547.431	3.778	0	20	KHAD	
COc1ccc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1S(=O)(=O)N1CCCCC1	514387550	JHPVNAMQBOKWHA-UHFFFAOYSA-N	540.568	3.514	0	20	KHAD	
CCCN(C(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1	514395518	MMEPWEMQCNDNDZ-HKUYNNGSSA-N	544.139	3.771	0	20	KHAD	
Cc1ccc(C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1S(=O)(=O)N1CCCCC1	514388880	UOPLWECAXPEZJB-XMMPIXPASA-N	511.644	3.590	0	20	KHAD	
CCc1cc2c(=O)n(CCc3ccccc3)c(S[C@H](C)C(=O)N(CC)[C@H]3CCS(=O)(=O)C3)nc2s1	514389031	XQMUWRHTDACTQD-MJGOQNOKSA-N	533.741	3.779	0	20	KHAD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1	514298041	ZQLJCOKMFBMGHR-UHFFFAOYSA-N	542.702	3.767	0	20	KHAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2nc3c(C)cccc3s2)c(O)nc1=O	514379705	XCGDTLWSKNVTJA-UHFFFAOYSA-N	500.625	3.657	0	20	KHAD	
CCCC[C@H](Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)C(=O)Nc1cc(C)on1	514393176	PZXIZCFHVVOTDC-FQEVSTJZSA-N	521.665	3.663	0	20	KHAD	
CCCCn1c(S[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395905	WQZCYWQPDWQUGF-GOSISDBHSA-N	559.714	3.935	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1S(=O)(=O)NC(C)C	514295283	BIXLSEWPFKWVSL-UHFFFAOYSA-N	523.677	3.587	0	20	KHAD	
CCOc1ccc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1	514296927	STSSPEOZRVFERP-GOSISDBHSA-N	505.662	3.877	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSCc1nc2ccccc2nc1C	514298231	XNUHTGVVWHNRTF-UHFFFAOYSA-N	500.646	3.993	0	20	KHAD	
CCCCN(C(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1)c1c(O)nc(=O)n(CCCC)c1N	514379139	MTMCXSAZARJMBA-UHFFFAOYSA-N	567.643	3.813	0	20	KHAD	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1	514381052	ZUDIZRSNXWARIM-UHFFFAOYSA-N	628.773	3.784	0	20	KHAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)N3CCCc4cc(S(=O)(=O)N(C)C)ccc43)o2)cc1	514389453	HKGQOXGSVRETHR-UHFFFAOYSA-N	529.688	3.905	0	20	KHAD	
COc1ccc(C(=O)N[C@H](c2ccccc2F)c2nccn2C)cc1S(=O)(=O)N1CCCCCC1	514390298	FJDPFOREPGPBRX-HSZRJFAPSA-N	500.596	3.652	0	20	KHAD	
CCCCn1c(SC[C@@H](O)COCc2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514400887	DIGWWQPJWSXVFY-SFHVURJKSA-N	525.718	3.589	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C	514300206	LSAMFFWKZAKRFM-AUSIDOKSSA-N	501.649	3.637	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cc(C)n(-c4nc[nH]n4)c3C)n2[C@@H](C)COC)c1	514373986	CEVTVQPOIQZYAY-SFHVURJKSA-N	586.744	3.684	0	20	KHAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1cc(Cl)ccc1Cl	514380231	JYFAXWKALQYPDR-UHFFFAOYSA-N	502.420	3.852	0	20	KHAD	
CCOc1ccc(-n2c(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)nnc2-c2ccncc2)cc1	514383171	HDDVYLFEQLPYEK-QFIPXVFZSA-N	541.699	3.778	0	20	KHAD	
CC(C)(C)c1ccccc1NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514386873	GYMYFPNBWFZIAL-UHFFFAOYSA-N	500.665	3.656	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1	514401894	BBOTWVPTDBKQID-UHFFFAOYSA-N	527.734	3.751	0	20	KHAD	
Cc1cc(Cl)cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)nc5sccn45)sc3C2)c1	1821156725	GUYTZKMFZIFEOR-AWEZNQCLSA-N	500.005	3.714	0	20	KHAD	
O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	514292142	LHHXAZFEYSRJNQ-UHFFFAOYSA-N	548.090	3.609	0	20	KHAD	
CCCn1c(CCC(=O)N(C)Cc2nc3ccccc3s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514302443	FBOOKNCTKGVVKT-UHFFFAOYSA-N	541.699	3.668	0	20	KHAD	
CC[C@H](c1nnc(SCc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)n1-c1ccc(OC)cc1)N(C)C	514375995	YYXAKBGVRVMJCI-MRXNPFEDSA-N	528.660	3.974	0	20	KHAD	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccco1	514376779	RDPZASOGKPNWPR-MCNSAMFCSA-N	529.688	3.634	0	20	KHAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O	514385142	ZSAXBJWMPSYVGR-FQEVSTJZSA-N	559.413	3.532	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc(=O)c4c(C)c(C(=O)OC)sc4[nH]3)n2[C@H](C)COC)c1	514403631	WHLCYTOVSAKRDD-OAHLLOKOSA-N	620.779	3.868	0	20	KHAD	
COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1S(=O)(=O)N1CCOCC1	514299384	DVUOAAMCDUSSNU-UHFFFAOYSA-N	527.565	3.516	0	20	KHAD	
CCCCCN(C(=O)CSc1nnc(C)n1Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N	514376106	BSSNJRXQPQSHDW-UHFFFAOYSA-N	513.668	3.595	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H]3c3cc(OC)ccc3OC)nnc12	514385657	PQNHILKJOXPSIK-QFIPXVFZSA-N	551.669	3.944	0	20	KHAD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	514389076	YGCHLVRHGJVUQM-UHFFFAOYSA-N	501.480	3.928	0	20	KHAD	
CC[C@H](C)Cc1c(C)sc2nc(S[C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc(O)c12	514389134	ZUUBELQKUGYCRW-DZGCQCFKSA-N	522.718	3.781	0	20	KHAD	
O=C(CCN1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	514392145	RICUWUXRHUQJKO-IBGZPJMESA-N	519.067	3.804	0	20	KHAD	
O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1	514394065	HHRWYIAHEWSULG-RUZDIDTESA-N	540.686	3.905	0	20	KHAD	
CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514404685	INIQSZJHMUJYIU-UHFFFAOYSA-N	520.501	3.584	0	20	KHAD	
CCc1cc[n+](/C(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)=C(/S)Nc2ccccc2F)cc1	27097135	PAUZATPTTKGZIK-UHFFFAOYSA-O	500.641	3.818	0	20	KHAD	
CCN(c1ccc(C(=O)CSc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)cc1)S(C)(=O)=O	514299114	DPPAKOYKHYLCIQ-UHFFFAOYSA-N	527.672	3.851	0	20	KHAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)OC	514386917	IIKGDWGCQZUXLC-FQEVSTJZSA-N	540.535	3.849	0	20	KHAD	
COC(=O)c1ccc(OC[C@H](O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)c(OC)c1	514388348	XGFVHBULPZCRDP-IBGZPJMESA-N	516.616	3.539	0	20	KHAD	
O=C(CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2	514394324	TZMFVRXNPRDWLZ-JJZPWCRDSA-N	577.707	3.904	0	20	KHAD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514292733	PTPKYXCIWSNOGL-UHFFFAOYSA-N	508.040	3.627	0	20	KHAD	
CCn1c(CCC(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)nc2cc(S(=O)(=O)N(C)C)ccc21	514379154	NKYLJUYWLZCOTE-UHFFFAOYSA-N	542.580	3.922	0	20	KHAD	
CCn1c(SCC(=O)N(C)Cc2ccc(OC)c(F)c2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514384414	PKWWNCVKJRRTNG-UHFFFAOYSA-N	547.678	3.648	0	20	KHAD	
COCCN(C(=O)CCC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C)c1c(O)nc(=O)n(CC(C)C)c1N	514384565	VVBOVGHYHYFTMP-XMMPIXPASA-N	529.682	3.584	0	20	KHAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c(O)nc1=O	514386594	UNWJZDLZORCIMD-UHFFFAOYSA-N	513.668	3.569	0	20	KHAD	
COCCCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OC)c2C)nnc1-c1ccc(OC)c(OC)c1	514403595	VPABKMIOYSSNPZ-UHFFFAOYSA-N	502.593	3.705	0	20	KHAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(Br)cc1F	514291931	JMFVGJVGLJSLQO-UHFFFAOYSA-N	501.374	3.789	0	20	KHAD	
CCCCCn1nc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)c2ccccc2c1=O	514292068	JYDQSCJMWWIFIX-UHFFFAOYSA-N	500.621	3.878	0	20	KHAD	
O=C(CSc1nnc(CN2CCCC2)n1Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2	514293280	TWXDGSKAANZJOT-UHFFFAOYSA-N	508.692	3.809	0	20	KHAD	
CCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@@H](C)C3)[C@@H]1CCS(=O)(=O)C1	514375357	OXQNLJMLKVZMME-HZPDHXFCSA-N	511.735	3.511	0	20	KHAD	
Cc1noc(C)c1CCC(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	514381648	MSTRISBUIDTQKC-UHFFFAOYSA-N	513.460	3.795	0	20	KHAD	
Cn1c(CCC(=O)NCc2ccc(CN3CCCCC3)cc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514387998	LEGKJDYWVHCMDT-UHFFFAOYSA-N	537.730	3.983	0	20	KHAD	
Cn1c(SCC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)nnc1[C@@H]1CCS(=O)(=O)C1	514391380	IFPDVICNUGFGJF-FMSQDJPCSA-N	532.707	3.946	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1	514292616	MHJMWQRZWKOFMS-IFMALSPDSA-N	599.845	3.855	0	20	KHAD	
CCCCN(C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC)c1c(O)nc(=O)n(CCCC)c1N	514297353	VJPOOAICPMPVDG-UHFFFAOYSA-N	561.639	3.973	0	20	KHAD	
CC1CCN(c2nnc(SCC(=O)N3CCCc4cc(S(=O)(=O)N5CCCC5)ccc43)n2C[C@@H]2CCCO2)CC1	514304434	UDULGUHMLBJFQH-QHCPKHFHSA-N	588.800	3.549	0	20	KHAD	
O=S(=O)(c1ccc2c(c1)nc(-c1ccc(Br)cc1)n2C[C@@H]1CCCO1)N1CCOCC1	514381342	AMDDYZKNCOSIOD-SFHVURJKSA-N	506.422	3.666	0	20	KHAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1	514381943	XTQFCFXYGYKWDX-UHFFFAOYSA-N	655.795	3.670	0	20	KHAD	
COC(=O)c1ccc(OC[C@H](O)CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)c(OC)c1	514392536	XOTFGGWOXQRAPA-NRFANRHFSA-N	530.622	3.720	0	20	KHAD	
COc1ccc(CN2CCN(C(=O)C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)CC2)c(OC)c1OC	514393029	LIGXYIUIAWYSOS-UHFFFAOYSA-N	549.590	3.928	0	20	KHAD	
COc1cc(CCNC(=O)CSc2nnc(N3CCCCC3)n2Cc2ccco2)ccc1OC(F)F	514393117	OAXCLBIUYIOUKK-UHFFFAOYSA-N	521.590	3.971	0	20	KHAD	
O=C(O)COCCOCCOCCNC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1	2048518068	BWIYRQZLIAFXGZ-UHFFFAOYSA-N	564.517	3.650	0	20	KHAD	
CCOc1cc(Br)c(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)cc1OCC	514299154	AVQRCABYQRXSDG-UHFFFAOYSA-N	539.471	3.979	0	20	KHAD	
CCCCN(C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N	514378728	IHSALDHGUHAOKU-QFIPXVFZSA-N	505.619	3.882	0	20	KHAD	
CCCCn1c(CCC(=O)N(C)Cc2ccccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514380872	WIEJQVGZOUZNRF-UHFFFAOYSA-N	512.676	3.757	0	20	KHAD	
CCCn1c(CCC(=O)Nc2ccccc2OC(F)(F)F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514402973	NXBPNJAGDGOHDM-UHFFFAOYSA-N	540.564	3.937	0	20	KHAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nnc(NCc3ccccc3)s2)CC1	514385241	DVXBVWJIOWXOHM-UHFFFAOYSA-N	510.689	3.642	0	20	KHAD	
COC(=O)CCCCCn1c(SCC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)nc2ccccc2c1=O	514400981	HVBKOSAMYOOFDJ-UHFFFAOYSA-N	549.657	3.762	0	20	KHAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)CC2)cc1	514296345	LQWBCCTVRCUSSD-UHFFFAOYSA-N	551.669	3.888	0	20	KHAD	
CCOCCCn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nc2cc(Cl)ccc2c1=O	514297654	QISBGESOTSHVFM-UHFFFAOYSA-N	595.143	3.537	0	20	KHAD	
CCCCNS(=O)(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1	514300114	KEIFGCSAWMKGPW-UHFFFAOYSA-N	547.621	3.823	0	20	KHAD	
CCOc1cc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)ccc1OCC(=O)N1CCCCC1	514380197	ZKEKQHYRIUMRFZ-UHFFFAOYSA-N	584.522	3.930	0	20	KHAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c12	514381947	BSEIKWIMFFHKHM-SFHVURJKSA-N	530.050	3.719	0	20	KHAD	
COCCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nnc1-c1ccccc1Cl	514404417	GUZLUIDEGIWFHV-UHFFFAOYSA-N	590.580	3.975	0	20	KHAD	
O=C1CSc2cc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cnccc5Cl)sc4C3)ccc2N1	1820266747	QYBXMGHAWRTVIM-LBPRGKRZSA-N	500.005	3.775	0	20	KHAD	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCCOCCOCCC(=O)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	2382215049	HJDZOFSHRWNYIO-IJGRWTRYSA-N	753.919	3.530	0	20	KHAD	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2)cc1	514291220	BGFKBUJDQOOIFF-UHFFFAOYSA-N	521.686	3.863	0	20	KHAD	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1	514295215	AAGXAFYDGSYTKJ-MHZLTWQESA-N	614.124	3.580	0	20	KHAD	
C[C@@H](c1ccccc1)N1CCN(C(=O)CSc2nnc(CN3CCCC3)n2Cc2ccccc2)CC1	514301995	KONNNQITGPXHCC-QHCPKHFHSA-N	504.704	3.920	0	20	KHAD	
Cn1c(SC[C@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)nnc1[C@@H]1CCS(=O)(=O)C1	514388148	VPLAHDHFIBLRLX-WIYYLYMNSA-N	501.674	3.575	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1	514298818	HFEIAXNLOVWZDA-UHFFFAOYSA-N	544.655	3.658	0	20	KHAD	
CCOc1cc2c(cc1CNC(=O)CCc1nc3cc(S(=O)(=O)N4CCCCC4)ccc3n1C)O[C@H](C)C2	514300057	LZABWXQSAXBZKW-LJQANCHMSA-N	540.686	3.719	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)n2[C@@H](C)COC)c1	514375095	KPVVOLOXTBBZRC-XUZZJYLKSA-N	641.882	3.624	0	20	KHAD	
CCOc1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)ccc1OCC(=O)N1CCCCC1	514382377	LQJWLDJTLLPBAI-UHFFFAOYSA-N	576.616	3.892	0	20	KHAD	
CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1	514382702	AUCDPUAABOZPIQ-MRXNPFEDSA-N	502.691	3.945	0	20	KHAD	
COc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)N[C@@H](C)CCCC(C)C)cc2)ccc1NC(C)=O	514394993	ZSMWTBIORLEGQU-SFHVURJKSA-N	532.663	3.515	0	20	KHAD	
COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C	514291248	CGJDDGPIFYRYQY-CYFREDJKSA-N	514.692	3.865	0	20	KHAD	
CN(C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1)Cc1ccccc1	514291740	GXTPGUOAIHSROA-HXUWFJFHSA-N	587.378	3.901	0	20	KHAD	
C[C@@H](NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccc(Br)cc1	514299471	FZTHBDGLOYXTGY-MRXNPFEDSA-N	527.385	3.901	0	20	KHAD	
O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	514377980	ASXLFTVAZQOZBL-UHFFFAOYSA-N	595.665	3.792	0	20	KHAD	
CCCn1c(CSCC(=O)Nc2ccccc2OCC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514388526	ZVKCFFNMIGKYDX-UHFFFAOYSA-N	532.688	3.738	0	20	KHAD	
COc1cccc(NCc2nnc(S[C@@H](C)C(=O)N3CCC(C(N)=O)CC3)n2C2CCCCC2)c1	514395714	QUSJXVGNOXQVNH-KRWDZBQOSA-N	500.669	3.609	0	20	KHAD	
CCOCCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)N[C@@H](C)c3ccccc3OC)nnc12	514395980	YKRRNKITUCZPBK-ZWKOTPCHSA-N	509.632	3.837	0	20	KHAD	
CCCCN(C(=O)CSc1nc2ccc(Br)cc2c(=O)n1CC(C)C)[C@H]1CCS(=O)(=O)C1	514404201	BXBSIGYEKDSCQS-KRWDZBQOSA-N	544.537	3.723	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1	514404717	KBCISOYCBBWZQY-NRFANRHFSA-N	542.683	3.630	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(Nc2ccccc2OCC)s1)c1c(O)nc(=O)n(CCC)c1N	514291886	JVNRRKXVRJCLHO-UHFFFAOYSA-N	533.680	3.860	0	20	KHAD	
CCCCN(C(=O)CSc1nnc2n(-c3ccc(C)cc3C)c(=O)c3ccccc3n12)[C@@H]1CCS(=O)(=O)C1	514292399	KQQKUTIYONYZSC-HXUWFJFHSA-N	553.710	3.558	0	20	KHAD	
Cc1ccc(NC(=O)[C@H](C)Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1	514293543	SNWCXPVBTNZCNB-MOPGFXCFSA-N	593.175	3.992	0	20	KHAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1	514382096	GFSABVHFRAUYRB-UHFFFAOYSA-N	500.646	3.868	0	20	KHAD	
COCCCn1c(SCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)nnc1-c1ccc(OC)c(OC)c1	514385739	SSTKRBFDMZKNRB-HXUWFJFHSA-N	562.714	3.752	0	20	KHAD	
COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2C2CCCCC2)cc1OC	514388277	MYOWQZLAOHNDQU-LPHOPBHVSA-N	522.693	3.594	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(C)no3)n2CC(C)C)c1	514392888	GNROFEAMZFKAIW-UHFFFAOYSA-N	506.654	3.659	0	20	KHAD	
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1	514400883	DCXAVGRDAYHHPC-UHFFFAOYSA-N	542.430	3.907	0	20	KHAD	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)CC2)cc1	514400890	DLSVWPPRLCSCBV-UHFFFAOYSA-N	541.670	3.817	0	20	KHAD	
COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OCC(F)(F)F)cc(Cl)c1OCC(N)=O	514404692	IUTSHJIHUOOWFB-UHFFFAOYSA-N	594.008	3.971	0	20	KHAD	
O=S(=O)(c1ccc(N2CCCC2)c(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1)N1CCOCC1	514405543	XHRCZXKGKJQRPL-UHFFFAOYSA-N	537.564	3.989	0	20	KHAD	
CCCCN(C(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1)c1c(O)nc(=O)n(CCCC)c1N	514296933	SWMZSHRXHGTLPD-UHFFFAOYSA-N	543.665	3.568	0	20	KHAD	
CCC(CC)NC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1	514395098	CFCORHNUTRAVDR-SFHVURJKSA-N	535.736	3.867	0	20	KHAD	
O=C(Nc1ccc(-n2cncn2)c(Cl)c1)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1	749139221	JXEAPPNHJRQWAB-UHFFFAOYSA-N	500.005	3.982	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n2CC)c1	514294356	XERNJALSJLJLEF-UHFFFAOYSA-N	606.796	3.511	0	20	KHAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCC(=O)Nc3sc(C(=O)OC)c(C)c3C(=O)OC)o2)c1	514298105	UWRBIYZISADHFH-UHFFFAOYSA-N	596.709	3.831	0	20	KHAD	
CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n2CC)cc1	514374720	FUYLQWBPNPKGQK-UHFFFAOYSA-N	515.661	3.879	0	20	KHAD	
CC(C)CN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1c(O)nc(=O)n(CC(C)C)c1N	514375285	MUJRXTSSCBXMBN-HXUWFJFHSA-N	573.695	3.545	0	20	KHAD	
COc1ccc(-c2nnc(S[C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2C2CCCCC2)cc1OC	514388279	MYOWQZLAOHNDQU-VQIMIIECSA-N	522.693	3.594	0	20	KHAD	
CCc1ccc(OCc2nnc(S[C@@H](C)C(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)n2CC(C)C)cc1	514388304	NREXQYJRTJHPOH-AZUAARDMSA-N	508.710	3.592	0	20	KHAD	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1	514393436	AUYIWIRFINCZGM-WZONZLPQSA-N	536.658	3.630	0	20	KHAD	
CC(C)Cn1c(CCC(N)=O)nnc1SCc1nc(O)c2cc(Br)cc(Br)c2n1	514405262	UULXQDUICGOYEX-UHFFFAOYSA-N	544.273	3.818	0	20	KHAD	
COc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1S(=O)(=O)N1CCOCC1	514295546	IKYMPZLMPUTOOD-UHFFFAOYSA-N	513.641	3.510	0	20	KHAD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	514299735	PZYLYGJBSNUJJI-UHFFFAOYSA-N	527.687	3.852	0	20	KHAD	
COc1cc2nc(S[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)C(C)C)n(CCC3=CCCCC3)c(=O)c2cc1OC	514302236	NFKHJGJERQFFTK-NTKDMRAZSA-N	563.742	3.724	0	20	KHAD	
Cc1ccc(C)c(-c2cc(NC(=O)CN3CCC(C(=O)N4CCOCC4)CC3)n(-c3ccccc3)n2)c1	514386803	CVHZHLMEOMODMO-UHFFFAOYSA-N	501.631	3.665	0	20	KHAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N3CCN([C@@H](C(=O)NCc4ccccc4)c4ccccc4)CC3)c12	514390306	FPOGWHXHLUNWST-DLFZDVPBSA-N	626.783	3.792	0	20	KHAD	
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)ccc2OC)cc1	514390619	QTKBJVZFPRMAMY-IBGZPJMESA-N	592.696	3.539	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3nc4cc(S(=O)(=O)N5CCCCC5)ccc4n3CC)n2c1	514390809	COTOKKZDOUZYPF-UHFFFAOYSA-N	591.785	3.596	0	20	KHAD	
CC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc2C[C@H]1C	514393533	DRKYRTZAUTZSAH-CYBMUJFWSA-N	502.946	3.562	0	20	KHAD	
CC(=O)N1CCN(C(=O)[C@@H](C)Sc2nc3scc(-c4ccc(C)cc4)c3c(=O)n2C[C@H]2CCCO2)CC1	514395076	BTVFNFFDLDETRW-WIYYLYMNSA-N	540.711	3.784	0	20	KHAD	
CCn1c(SCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)nnc1-c1ccc(C(C)(C)C)cc1	514292579	NURDTFIJYRHFGX-UHFFFAOYSA-N	557.721	3.535	0	20	KHAD	
CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514293941	VEYDJZMPSOODNQ-HNNXBMFYSA-N	521.068	3.917	0	20	KHAD	
CCOc1ccc(NC(=O)COc2ccccc2C(=O)N2CCCCC2)cc1S(=O)(=O)N(CC)CC	514385636	OXVHUBPOYKCHMP-UHFFFAOYSA-N	517.648	3.759	0	20	KHAD	
COC(=O)[C@H](CC(C)C)NC(=O)CN(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C	514387847	MFWICRFUJJEPPS-QHCPKHFHSA-N	524.662	3.503	0	20	KHAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3cc(Cl)ccn13)CC2)c1nnsc1C1CC1	1817706610	LMPCEIHAXGHDKI-GFCCVEGCSA-N	500.009	3.713	0	20	KHAD	
C[C@@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	514293272	TVEUSJAMEOOZIS-MRXNPFEDSA-N	532.592	3.575	0	20	KHAD	
CCCCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCO1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514293559	VTBWIQYIEJLRPO-XMMPIXPASA-N	619.748	3.951	0	20	KHAD	
Cc1cccc(NC(=O)CN2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)CC2)c1C	514299474	GFEILPCHVKBNNC-UHFFFAOYSA-N	540.730	3.610	0	20	KHAD	
O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CCSc2ccccc21	514384331	OHUFGKZBRQVTRN-QHCPKHFHSA-N	551.756	3.663	0	20	KHAD	
CC(C)CN1CCO[C@H](CNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)C1	514386069	BRZUIMWFMJEYAP-OAQYLSRUSA-N	545.507	3.657	0	20	KHAD	
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514390183	ALXYUBLBURKISA-UHFFFAOYSA-N	562.497	3.523	0	20	KHAD	
Cn1nccc1-c1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccncn2)CC3)sc1Cl	1816061093	NLIABUFEUIFKGS-NSHDSACASA-N	500.009	3.588	0	20	KHAD	
Cc1nc(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c2c(C)c(C)sc2n1	514291327	FCRVOSZKWDQLMM-OAHLLOKOSA-N	506.675	3.757	0	20	KHAD	
COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2C[C@H]2CCCO2)cc1	514296320	HOCSARIZNDCCSR-HRAATJIYSA-N	516.645	3.868	0	20	KHAD	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c(OC)c1	514297508	XKDXHABJUZEPGS-UHFFFAOYSA-N	517.586	3.541	0	20	KHAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(-n3nc(C)c(CCC(=O)OC)c3C)cc2)c1	514300773	PWDJQSDKKGOJBM-UHFFFAOYSA-N	542.658	3.886	0	20	KHAD	
CCCCN(C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1c(O)nc(=O)n(CCC)c1N	514376789	RFERDYARYSMHQK-UHFFFAOYSA-N	533.964	3.581	0	20	KHAD	
CCCn1c(CSc2nnc(C3CC3)n2C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514383844	MOMDEFAGOXZRSZ-UHFFFAOYSA-N	502.666	3.563	0	20	KHAD	
CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)cc2C[C@H]1C	514392539	XPKHDGSKVQUVGZ-OAHLLOKOSA-N	512.053	3.613	0	20	KHAD	
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(N3CCCCC3)n2Cc2ccco2)cc1	514393198	QYFRFBOQFBDYHV-SFHVURJKSA-N	532.692	3.716	0	20	KHAD	
CCN(CC)C(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)COC	514394737	RJJFGNFDJYBFRS-QZTJIDSGSA-N	511.714	3.532	0	20	KHAD	
O=C(Cc1ccc(Cl)s1)N[C@@H]1CCc2nc(NC(=O)c3cc4cccnc4nc3O)sc2C1	1823980928	BXEDAHOKGZUOHN-GFCCVEGCSA-N	500.005	3.975	0	20	KHAD