smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)CC1	216878238	ZPCRPJMIJANSAP-UHFFFAOYSA-N	414.959	1.054	70	40	HDIB	
Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)n1	217831498	GPGOVGFUKLIRAV-HNNXBMFYSA-N	406.508	1.718	70	40	HDIB	
CC(C)OCCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl	216878120	NDHGWGCPCKQUDJ-UHFFFAOYSA-N	417.959	1.821	70	40	HDIB	
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC2CCN(C)CC2)cc1Cl	216815526	ZXDAMHPCHHQQFX-UHFFFAOYSA-N	417.959	1.960	70	40	HDIB	
CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2	218431814	PEUYOZXFFKDYOT-UHFFFAOYSA-N	420.443	1.269	70	40	HDIB	
Cc1ccc(C(=O)NCCCN2CCCC2)cc1S(=O)(=O)N1CCN(C)CC1	216858697	SWOFHPWBAVFVIH-UHFFFAOYSA-N	408.568	1.147	70	40	HDIB	
CC(=O)Nc1ccc(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)NCc3cccnc3)[C@H]4C2=O)cc1	217518082	UVCOEXFAJRHSLW-FAKFISEUSA-N	418.453	1.643	70	40	HDIB	
Cc1ccc(/C=C/S(=O)(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1	217971489	UBRALCMQYHFSJR-MDWZMJQESA-N	424.548	1.426	70	40	HDIB	
Cn1c(=O)oc2cc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)ccc21	217482744	XIUHMLIVDCXHCK-QWHCGFSZSA-N	401.444	1.101	70	40	HDIB	
CC(=O)Nc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3cccnc3)[C@H]4C2=O)cc1	217518137	UVCOEXFAJRHSLW-SRYPRDQNSA-N	418.453	1.643	70	40	HDIB	biogenic
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217851860	REERHYLTDDGGHU-CYBMUJFWSA-N	404.452	1.775	70	40	HDIB	
CN1CCC(NC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1	216834405	XJRKHKUAYMZGDU-UHFFFAOYSA-N	409.552	1.841	70	40	HDIB	
COc1ccc(OC[C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1	218417319	QFRXGMYDOXDVAQ-INIZCTEOSA-N	421.519	1.892	70	40	HDIB	
CCNS(=O)(=O)c1cc(C(=O)NCc2ccncc2)ccc1N1CCN(C)CC1	216793210	GRXDCIKQQVOQAL-UHFFFAOYSA-N	417.535	1.062	70	40	HDIB	
CC(C)OCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1	216870962	PCGTXKJYPAEABJ-UHFFFAOYSA-N	417.959	1.821	70	40	HDIB	
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCN(C)CC2)cc1Cl	216817590	QHORVYNRDXDRRX-GFCCVEGCSA-N	403.932	1.616	70	40	HDIB	
Cc1ncn(CC(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)c(=O)c1C	217845474	HAKXCWHXQZKBRQ-OAHLLOKOSA-N	409.450	1.181	70	40	HDIB	
CC[C@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O	217016548	DUOSLVMJSWCCIK-GOSISDBHSA-N	414.547	1.124	70	40	HDIB	
COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	216785031	NGZPLIPDHJIUPI-UHFFFAOYSA-N	419.503	1.892	70	40	HDIB	
Cc1ccc(C(=O)NCCC2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1	216942822	PRTLHDAGXSTDHE-UHFFFAOYSA-N	409.552	1.478	70	40	HDIB	
CN1CCC(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1	216820734	YYBBUVVNCOLAEV-FQEVSTJZSA-N	419.522	1.926	70	40	HDIB	
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)C(=O)NCc1ccc2c(c1)OCO2	218012291	DTUMBUFHMCNBTB-JOCHJYFZSA-N	412.442	1.380	70	40	HDIB	
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)cc2)ccc1N1CCN(C)CC1	216791208	FNQHTPXJNMUVPJ-UHFFFAOYSA-N	418.519	1.607	70	40	HDIB	
COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cn1cnc(C)c(C)c1=O	217965128	JMFJGLPLRSJGTB-GDBMZVCRSA-N	403.410	1.221	70	40	HDIB	
COc1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC	218427863	YKKSNNULGJXVKM-UHFFFAOYSA-N	422.459	1.880	70	40	HDIB	
O=C1CCc2cc(S(=O)(=O)NCCn3ccnc3-c3ccccn3)cc3c2N1CC3	217865506	IDBZAAROZTXKKD-UHFFFAOYSA-N	423.498	1.759	70	40	HDIB	
CS(=O)(=O)N1CCN(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)C1=O	217881527	NVDBBVCNPWDAKY-UHFFFAOYSA-N	423.520	1.896	70	40	HDIB	
COc1ccccc1N(CC(=O)NCc1nc(-c2cccs2)no1)S(C)(=O)=O	218312039	PXDFXAZGNPICLP-UHFFFAOYSA-N	422.488	1.889	70	40	HDIB	
CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2	218430751	OVKFRGPIDUPDCK-UHFFFAOYSA-N	420.443	1.634	70	40	HDIB	
CN1CCN(c2ccc(NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)cc2)CC1	216938079	NAUSQHBHYZBTHU-UHFFFAOYSA-N	420.510	1.982	70	40	HDIB	
Cc1ccc(C)c(N(CC(=O)NCCC2CCN(C)CC2)S(=O)(=O)N(C)C)c1	216949050	IZFQBPLBUIIRCS-UHFFFAOYSA-N	410.584	1.764	70	40	HDIB	
CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)N2CCN(C)CC2)S1(=O)=O	217031174	LFGYJGBIOBGCAY-UHFFFAOYSA-N	409.508	1.379	70	40	HDIB	
CC[C@@H](C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	217606247	FZAYBNVCBWTPQM-JEBQAFNWSA-N	400.479	1.544	70	40	HDIB	biogenic
COc1ccc(CNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	218429238	XLURLVLFVKXFQV-UHFFFAOYSA-N	406.460	1.549	70	40	HDIB	
Cn1c(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCCC1	217559343	DFVUKPFFMHXSSI-DLBZAZTESA-N	410.518	1.468	70	40	HDIB	
Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1S(=O)(=O)N1CCN(C)CC1	216857865	DMLFGQFOCNDJCD-UHFFFAOYSA-N	416.503	1.282	70	40	HDIB	
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CC1	216888074	YEAVVZSNCBJSDD-UHFFFAOYSA-N	405.495	1.833	70	40	HDIB	
COc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1	216883332	GLRFYZWAMXCLEA-UHFFFAOYSA-N	417.531	1.702	70	40	HDIB	
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)ccc1N1CCN(C)CC1	216790524	RJOBMUMQPCFCOS-UHFFFAOYSA-N	406.483	1.738	70	40	HDIB	
COc1ccc(N2CCC[C@H](C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2)nn1	217577461	CJFMVJNPPZLMJV-YESZJQIVSA-N	409.490	1.509	70	40	HDIB	
CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1N1CCN(C)CC1	216789556	BULLKFYPZWWRRB-MRXNPFEDSA-N	416.547	1.838	70	40	HDIB	
O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217586948	MJCFWMGTBSDVMO-UXLLHSPISA-N	424.457	1.288	70	40	HDIB	
Cc1cccc(-c2noc(CNC(=O)CN3C(=O)c4ccccc4S3(=O)=O)n2)c1	218329355	QUTKVMMXVWCNDG-UHFFFAOYSA-N	412.427	1.506	70	40	HDIB	
O=C1[C@H]2[C@H]3[C@@H](Br)[C@@H](Br)[C@@H]3C=C[C@H]2N1S(=O)(=O)Cl	104281295	DBDJRMYLAUUFLA-SNZVZIACSA-N	405.495	1.640	70	40	HDIB	
CCN1CCN(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)C(=O)C1=O	217881395	WOYKUZKGBDAKTF-UHFFFAOYSA-N	401.492	1.889	70	40	HDIB	
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217854305	USFMMDXXNBPNNV-AWEZNQCLSA-N	417.495	1.520	70	40	HDIB	
CN1CCC(CCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)CC1	216949089	TUHZEKXFGVNQJP-UHFFFAOYSA-N	400.520	1.287	70	40	HDIB	
Cn1nnc(-c2ccc(NC(=O)CCN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)n1	217552736	MOCBZNXYZLPQLX-DOTOQJQBSA-N	419.489	1.487	70	40	HDIB	
CC1(C)N=C(N)N=C(N)N1c1ccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	43307503	KWULWIRMRMCTBU-UHFFFAOYSA-N	418.454	1.783	70	40	HDIB	
CCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCN(C)CC2)c(Cl)c1	216837710	ATHLWFMSDUQAQL-UHFFFAOYSA-N	403.932	1.618	70	40	HDIB	
Cn1nnc(-c2ccc(OCC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)n1	217582353	KKKWBHSPPVMVLH-GOEBONIOSA-N	406.446	1.064	70	40	HDIB	
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H]3CCCO3)c2)CC1	216876200	OHVVANPPCHQLPH-ZDUSSCGKSA-N	401.916	1.185	70	40	HDIB	
COc1ccc(OC)c(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)c1	216935586	SNZHHMDJEQMDAD-UHFFFAOYSA-N	413.540	1.318	70	40	HDIB	
CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C1)C(=O)C2	217742181	JVGANLBSIUQQJW-RYSHRAHSSA-N	420.531	1.347	70	40	HDIB	
COc1ccc(N2C[C@@H](C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)CC2=O)cc1	217537002	VTZJVZLSARVTMS-BBWFWOEESA-N	407.470	1.856	70	40	HDIB	
O=S(=O)(c1ccc2c(c1)CCCC2)N1Cc2cnc(N3CCOCC3)nc2C1	217616495	IODNBPDXVFTXSX-UHFFFAOYSA-N	400.504	1.897	70	40	HDIB	
COc1ccccc1N(CC(=O)NCc1nc(-c2ccccc2)no1)S(C)(=O)=O	218311661	FQXPEWPBSCQFHU-UHFFFAOYSA-N	416.459	1.828	70	40	HDIB	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccccc1	216786325	BIPUGYAWHRCCHJ-UHFFFAOYSA-N	403.504	1.561	70	40	HDIB	
Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)n1	217831586	GPGOVGFUKLIRAV-OAHLLOKOSA-N	406.508	1.718	70	40	HDIB	
CCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1N1CCN(C)CC1	216792716	BVYFGGUXKQUWOR-UHFFFAOYSA-N	416.547	1.667	70	40	HDIB	
CN1CCC(CCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1	216942103	KNTQPUFRNAUJSC-UHFFFAOYSA-N	411.524	1.072	70	40	HDIB	
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCN(C)CC2)C1	216825074	MNYCXWMMFVWTQZ-MRXNPFEDSA-N	409.552	1.615	70	40	HDIB	
COc1ccc(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1Cl	216936271	IOUQMQTVASTZAR-UHFFFAOYSA-N	417.959	1.963	70	40	HDIB	
CN(CCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccccc1	218353182	MVMGNVBSGLFEQA-UHFFFAOYSA-N	419.503	1.824	70	40	HDIB	
C[C@](O)(CNS(=O)(=O)c1ccc(OCC(N)=O)cc1)c1cc2ccccc2o1	218001265	WBDMKLLWOLQMOD-IBGZPJMESA-N	404.444	1.483	70	40	HDIB	
O=S(=O)(c1cccc2ccccc12)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218682915	WGUYRKUXMSNDPF-UHFFFAOYSA-N	421.486	1.721	70	40	HDIB	
COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1	216868061	CYHMYQDQZNLIQW-UHFFFAOYSA-N	417.531	1.904	70	40	HDIB	
CN1CCC(CCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)CC1	217017857	WSZGUZVVGQREHZ-UHFFFAOYSA-N	400.520	1.287	70	40	HDIB	
O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1	217728162	GSFJPNUXINIIRX-KDURUIRLSA-N	408.433	1.851	70	40	HDIB	
COc1ccc(OC)c(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1	218427654	PCRBOAYSWFHRNF-UHFFFAOYSA-N	422.459	1.880	70	40	HDIB	
CCOC(=O)N1CCC(NC(=O)c2cn(C[C@H](O)c3ccccc3F)nn2)CC1	217475647	IOMDENUQNKTEEU-KRWDZBQOSA-N	405.430	1.502	70	40	HDIB	
COc1ccc(NC(=O)CC2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1	216898095	JXQZUDRTJLDARQ-UHFFFAOYSA-N	411.524	1.387	70	40	HDIB	
COC(=O)c1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(N2C(=O)CCC2=O)C3)cc1	217769049	GEDHYKJCDLGWEV-KBPBESRZSA-N	406.460	1.306	70	40	HDIB	
Cc1cc(OC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc(=O)n1C	217779031	FQUXGVKYOHSOPT-UHFFFAOYSA-N	420.487	1.697	70	40	HDIB	
CN1CCC(CCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1	217029156	UYRKEQWPBKMTQR-KRWDZBQOSA-N	415.943	1.715	70	40	HDIB	
COc1ccc(S(=O)(=O)NC[C@](C)(O)c2cc3ccccc3o2)cc1C(N)=O	218001462	OURQIRIZYHCRAC-IBGZPJMESA-N	404.444	1.726	70	40	HDIB	
C[C@](O)(CNS(=O)(=O)c1ccc(OCC(N)=O)cc1)c1cc2ccccc2s1	217516297	FGXKRSXIKHMFDE-IBGZPJMESA-N	420.512	1.951	70	40	HDIB	
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H]3CCCO3)c2)CC1	216876239	OHVVANPPCHQLPH-CYBMUJFWSA-N	401.916	1.185	70	40	HDIB	
Cn1c(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCCCC1	217565349	RGBWMJSTQLDADF-ZWKOTPCHSA-N	424.545	1.858	70	40	HDIB	
CN(CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccccc1	218767283	UFBGVGBWYKEWRC-UHFFFAOYSA-N	408.499	1.691	70	40	HDIB	
C[C@H](C(=O)NCCCN1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O	218474090	UTNBALGJHUIAOZ-CQSZACIVSA-N	403.932	1.333	70	40	HDIB	
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCN(C)CC2)C1	216829039	SPGOSUHDQMXEHE-CQSZACIVSA-N	413.515	1.445	70	40	HDIB	
COc1ccc(CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OC	218327158	DTEGFZDEZRBYMK-UHFFFAOYSA-N	418.471	1.597	70	40	HDIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(C(N)=O)cc1	216863932	GZMQFPJVHGNWQP-UHFFFAOYSA-N	416.503	1.282	70	40	HDIB	
COc1cc(CNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)ccc1OC(C)C	218563723	VXHVPNCBIALVFX-UHFFFAOYSA-N	413.540	1.617	70	40	HDIB	
Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1S(=O)(=O)N1CCN(C)CC1	216859868	DEEMRFSBPCSKQJ-QZTJIDSGSA-N	409.552	1.307	70	40	HDIB	
COc1ccc(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1OC	216935626	QFPLXNLODGAZRM-UHFFFAOYSA-N	413.540	1.318	70	40	HDIB	
Cc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)N1CCCCCC1	218517272	ZQHUGHUBQSSSJE-UHFFFAOYSA-N	409.552	1.622	70	40	HDIB	
COc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)cc1Cl	217740191	KNMAAWLWJQBLBK-ZIAGYGMSSA-N	410.879	1.673	70	40	HDIB	
COC(=O)Nc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)cc1	217742459	QJQPAJHNIDNDDK-HZPDHXFCSA-N	419.459	1.189	70	40	HDIB	
COc1ccc(N2CCC[C@@H](C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2)nn1	217577546	CJFMVJNPPZLMJV-GVDBMIGSSA-N	409.490	1.509	70	40	HDIB	
Cc1cccc(-c2noc(CN(C)C(=O)C3CCN(S(=O)(=O)N(C)C)CC3)n2)c1	218565146	WRIJTKYTRQDCCD-UHFFFAOYSA-N	421.523	1.522	70	40	HDIB	
CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCSCc3ccco3)c2)CC1	216866593	WELZSAXGHNLSKO-UHFFFAOYSA-N	423.560	1.879	70	40	HDIB	
COc1ccc(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(OC)c1OC	218325486	YCHHJHRJVOXMKH-UHFFFAOYSA-N	420.443	1.173	70	40	HDIB	
O=C(c1ccccc1OC(F)(F)F)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218641691	QYMOHYCQRYBMIU-UHFFFAOYSA-N	419.367	1.918	70	40	HDIB	
COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	216855299	NMDGVNMTWHVLPN-UHFFFAOYSA-N	417.531	1.870	70	40	HDIB	
CCNS(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1N1CCN(C)CC1	216792662	NXYBIIQQVQHQSK-UHFFFAOYSA-N	408.568	1.799	70	40	HDIB	
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCN(C)CC2)cc1Cl	216817553	QHORVYNRDXDRRX-LBPRGKRZSA-N	403.932	1.616	70	40	HDIB	
COc1ccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1	218256072	HETDKJHGNGCVAW-UHFFFAOYSA-N	416.459	1.828	70	40	HDIB	
Cc1ccc(-c2noc(CN(C)C(=O)C3CCN(S(=O)(=O)N(C)C)CC3)n2)cc1	218565256	YRHHLSGRTZJXQW-UHFFFAOYSA-N	421.523	1.522	70	40	HDIB	
COc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1OC	218563992	YVWLXDGVEVOJMM-UHFFFAOYSA-N	413.540	1.271	70	40	HDIB	
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCN(C)CC2)C1	216829072	SPGOSUHDQMXEHE-AWEZNQCLSA-N	413.515	1.445	70	40	HDIB	
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)C2=O)cc1	218042026	WHFFAVWPRCHMJC-XXHMAFKTSA-N	401.463	1.664	70	40	HDIB	biogenic
CN(CC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1)S(C)(=O)=O	217799839	WADYQHBWCBFYEY-CYBMUJFWSA-N	410.471	1.548	70	40	HDIB	
CN1CCC(CCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1	217029192	UYRKEQWPBKMTQR-QGZVFWFLSA-N	415.943	1.715	70	40	HDIB	
CN1CCN(c2ccc(NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)CC1	216935948	OAGDYISMWGXBMX-UHFFFAOYSA-N	420.510	1.982	70	40	HDIB	
O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccncc4)C(=O)[C@H]13)O2	217716169	YEUXMNPIKNKIDQ-DBBLALLESA-N	419.437	1.774	70	40	HDIB	
COc1cccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1	218254358	CEISUOHRRSVDNJ-UHFFFAOYSA-N	416.459	1.828	70	40	HDIB	
CCNS(=O)(=O)c1cc(C(=O)NCc2cccnc2)ccc1N1CCN(C)CC1	216793159	LSLDPYMRIOQXNJ-UHFFFAOYSA-N	417.535	1.062	70	40	HDIB	
CS(=O)(=O)c1ccc(CCC(=O)NC2C[C@@H]3CC[C@H](C2)N3S(C)(=O)=O)cc1	217680150	XVJHUWKYNMRKFE-MQVJKMGUSA-N	414.549	1.094	70	40	HDIB	
Cc1ccc(C(=O)NCCc2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1	216853861	BBBKGRGWKHBQLV-UHFFFAOYSA-N	401.532	1.904	70	40	HDIB	
Cn1nc(CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C2CCCC2)c2c1CCC2	217910667	NWOBKMRBQUEJTR-UHFFFAOYSA-N	408.568	1.852	70	40	HDIB	
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCCOC3CCCC3)cc2)CC1	216889563	MKENDEPJENIGPE-UHFFFAOYSA-N	423.579	1.843	70	40	HDIB	
NS(=O)(=O)c1ccc(NC(=O)c2cn(C[C@@H](O)c3ccccc3F)nn2)cc1	217476017	BISWAQZPELACDN-MRXNPFEDSA-N	405.411	1.051	70	40	HDIB	
CC1(C)N=C(N)N=C(N)N1c1cccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)c1	43300602	UDBOWZLBNKJESH-UHFFFAOYSA-N	418.454	1.783	70	40	HDIB	
Cc1ccc(C(=O)NCCCN2CCCCC2)cc1S(=O)(=O)N1CCN(C)CC1	216858326	HPWDBIZBSYZJKK-UHFFFAOYSA-N	422.595	1.537	70	40	HDIB	
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)CC1	216883526	IWTBGCIIBCMZRJ-UHFFFAOYSA-N	417.487	1.745	70	40	HDIB	
COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)cc1	216788039	KRXCWORNPNNHBW-UHFFFAOYSA-N	419.503	1.892	70	40	HDIB	
COCCCn1c(C)cc(C)c(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1=O	217938465	RCZLNOZSMOJEEO-ZWKOTPCHSA-N	411.502	1.923	70	40	HDIB	
CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2)no1)c1ccc(F)cc1	218265099	JAHMQPVPKJKJKX-UHFFFAOYSA-N	404.423	1.958	70	40	HDIB	
COc1cccc2cc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)oc12	217965859	RRZTUMKYORBBIE-UHFFFAOYSA-N	418.475	1.712	70	40	HDIB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC1CCN(C)CC1	216898199	UBDRYOJTXRORQD-UHFFFAOYSA-N	411.524	1.387	70	40	HDIB	
CNS(=O)(=O)c1cc(C(=O)NCCc2ccccc2)ccc1N1CCN(C)CC1	216789618	WDGVFNHRFOAXHE-UHFFFAOYSA-N	416.547	1.319	70	40	HDIB	
COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NC2CCN(C)CC2)CC1	216828880	YUBSODMYGVVQFU-UHFFFAOYSA-N	413.515	1.445	70	40	HDIB	
CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1	218772918	BKGFSFXUNZTNTN-UHFFFAOYSA-N	421.504	1.971	70	40	HDIB	
C[C@@](O)(CNS(=O)(=O)c1ccc(OCC(N)=O)cc1)c1cc2ccccc2s1	217516217	FGXKRSXIKHMFDE-LJQANCHMSA-N	420.512	1.951	70	40	HDIB	
O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218629816	JKPQPLODQWNGQC-UHFFFAOYSA-N	415.461	1.265	70	40	HDIB	
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3O)cc2)CC1	216889377	RPTALAHASYMVRI-RTBURBONSA-N	409.552	1.139	70	40	HDIB	
CCNS(=O)(=O)c1cc(C(=O)NCc2ccccn2)ccc1N1CCN(C)CC1	216793104	CGHSGASTOBAGQI-UHFFFAOYSA-N	417.535	1.062	70	40	HDIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccccc1C(N)=O	216863998	DPBHZCHTOWDYGK-UHFFFAOYSA-N	416.503	1.282	70	40	HDIB	
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217854212	USFMMDXXNBPNNV-CQSZACIVSA-N	417.495	1.520	70	40	HDIB	
Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3nc4ccccc4s3)CC2)cn1	217967743	KEIMQHUIYNMOSM-UHFFFAOYSA-N	405.505	1.567	70	40	HDIB	
CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2)ccc1N1CCN(C)CC1	216793270	LREYTDVBFJWANF-UHFFFAOYSA-N	402.520	1.989	70	40	HDIB	
CS(=O)(=O)Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	218395207	WXRSABMUDHLGLP-UHFFFAOYSA-N	423.516	1.205	70	40	HDIB	
CS(=O)(=O)c1ccc(CCC(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)cc1	217726487	WQAJEJFMYOMWQT-HDICACEKSA-N	416.499	1.185	70	40	HDIB	
Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc5c(c3)OCO5)[C@H]4C2=O)no1	217690065	IZTBLJOFYKYMLD-XXLATIFVSA-N	409.398	1.315	70	40	HDIB	
COc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C2)cc1F	217474601	MQIAKZUVMDXWIV-CYBMUJFWSA-N	413.409	1.123	70	40	HDIB	
COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C	216861736	GOLZRBJYVCFFBJ-UHFFFAOYSA-N	417.531	1.870	70	40	HDIB	
CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	217626310	RJMDUFBYGLSZSU-MDASCCDHSA-N	414.506	1.934	70	40	HDIB	biogenic
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC3CCN(C)CC3)C2)cc1	216949406	OESHWWAOCBIXNJ-SFHVURJKSA-N	423.579	1.944	70	40	HDIB	
COc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)cc1Cl	217740118	KNMAAWLWJQBLBK-KBPBESRZSA-N	410.879	1.673	70	40	HDIB	
CN(C)S(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2)no1)c1ccccc1	218420473	AQWFHFYWWDJJTP-UHFFFAOYSA-N	415.475	1.666	70	40	HDIB	
CN(Cc1nc(-c2ccccc2)no1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	218330092	NEVXOYZWUAUSHU-UHFFFAOYSA-N	412.427	1.540	70	40	HDIB	
C[C@H](C(=O)NCCN1CCOCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	218492351	ZIWBJKXAAGHFLG-GFCCVEGCSA-N	424.350	1.596	70	40	HDIB	
CN1CCN(CCCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1	216950166	PKNBCBLUBKUARH-UHFFFAOYSA-N	422.576	1.916	70	40	HDIB	
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)C2=O)cc1	218041783	WHFFAVWPRCHMJC-FNXXIHLHSA-N	401.463	1.664	70	40	HDIB	biogenic
Cc1ccc(-c2noc(CNC(=O)CN3C(=O)c4ccccc4S3(=O)=O)n2)cc1	218329458	QFXGUMADAASDJB-UHFFFAOYSA-N	412.427	1.506	70	40	HDIB	
CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NC2CCN(C)CC2)S1(=O)=O	217031117	VMGKAIXWQACZFA-UHFFFAOYSA-N	423.535	1.815	70	40	HDIB	
COc1ccccc1-c1cc(C(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)[nH]n1	217734029	CHFULILCCOBUKN-GASCZTMLSA-N	406.442	1.861	70	40	HDIB	
Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1	216857786	HYUHSAGJBJFQCO-UHFFFAOYSA-N	416.503	1.282	70	40	HDIB	
CN1CCN(S(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2Cl)CC1	216870312	INWUFECUTTZUII-UHFFFAOYSA-N	408.911	1.601	70	40	HDIB	
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1NS(C)(=O)=O	218395306	PZEMTNLLLFKBFB-UHFFFAOYSA-N	423.516	1.511	70	40	HDIB	
Cn1nc(CN(Cc2ccco2)C(=O)N2CCN(S(C)(=O)=O)C2=O)c2c1CCC2	217906375	LCTADMIBTIRNHV-UHFFFAOYSA-N	421.479	1.321	70	40	HDIB	
CCNS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1N1CCN(C)CC1	216793047	VVTWQSNRDYFGRY-UHFFFAOYSA-N	406.508	1.260	70	40	HDIB	
Cc1ccc(N(CCCC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1	217035928	SUWMXBIAPPJXFO-UHFFFAOYSA-N	410.584	1.295	70	40	HDIB	
COc1ccc(CCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	218429353	OPVZBYLUPDVNRQ-UHFFFAOYSA-N	420.487	1.591	70	40	HDIB	
COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NC1CCN(C)CC1)=C2C	217030941	GNBSZKGGXDSCIY-UHFFFAOYSA-N	409.508	1.425	70	40	HDIB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC3CCN(C)CC3)C2)cc1	216949384	OESHWWAOCBIXNJ-GOSISDBHSA-N	423.579	1.944	70	40	HDIB	
C[C@@H](C(=O)NCCN1CCOCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	218492277	ZIWBJKXAAGHFLG-LBPRGKRZSA-N	424.350	1.596	70	40	HDIB	
COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cn1cnc(C)c(C)c1=O	217965308	JMFJGLPLRSJGTB-ZBFHGGJFSA-N	403.410	1.221	70	40	HDIB	
CN1CCC(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)CC1	216819431	NCQJWRGSQDPPIO-FQEVSTJZSA-N	401.532	1.787	70	40	HDIB	
O=C(Nc1ccc2c(c1)OCCO2)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccncc4)C(=O)[C@H]13)O2	217716262	YEUXMNPIKNKIDQ-UYOCQKMUSA-N	419.437	1.774	70	40	HDIB	
NS(=O)(=O)c1ccc(NC(=O)c2cn(C[C@H](O)c3ccccc3F)nn2)cc1	217476099	BISWAQZPELACDN-INIZCTEOSA-N	405.411	1.051	70	40	HDIB	
CC(=O)Nc1ccc(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)NCc3cccnc3)[C@@H]4C2=O)cc1	217518000	UVCOEXFAJRHSLW-DZCCDHAISA-N	418.453	1.643	70	40	HDIB	
Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccc4ncsc4c3)CC2)cn1	217966076	WPZDUXPQUUAMMV-UHFFFAOYSA-N	405.505	1.567	70	40	HDIB	
Cn1nc(CN(C(=O)N2CCN(S(C)(=O)=O)C2=O)C2CCCC2)c2c1CCC2	217912285	YKEJSPUIQCNUTN-UHFFFAOYSA-N	409.512	1.471	70	40	HDIB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCN(C)CC3)C2)cc1	216826939	YVOKENTXINWLTF-MRXNPFEDSA-N	409.552	1.696	70	40	HDIB	
COc1cc(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)ccc1OC(C)C	218325675	GRTHEYMBRKTGAO-UHFFFAOYSA-N	418.471	1.943	70	40	HDIB	
COCCNc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1622969343	XLWUGYBMCAMUCU-UHFFFAOYSA-N	419.456	1.387	70	40	HDIB	
CCOc1ccc(CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1	218326945	QLKUWSCFIOLAPI-UHFFFAOYSA-N	402.472	1.979	70	40	HDIB	
COc1ccc(OC[C@@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1	218326342	NHIFJFNMMSACQS-CYBMUJFWSA-N	404.444	1.423	70	40	HDIB	
CC[C@@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccc(C)cc1)S(C)(=O)=O	217016083	QNYOIFJKOISRCL-IBGZPJMESA-N	410.584	1.293	70	40	HDIB	
CCCCN1CN(CCCCS(=O)(=O)O)C[C@H]1OS(=O)(=O)C(F)(F)F	642774901	ZINDFITWOKNDOL-LLVKDONJSA-N	412.452	1.222	70	40	HDIB	
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3cccnc3)c2)CC1	216877020	AAGZECLVUGAIBF-UHFFFAOYSA-N	408.911	1.601	70	40	HDIB	
O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217564773	AWVJYSKVJIYXCY-XHSDSOJGSA-N	417.469	1.723	70	40	HDIB	
O=C(c1cn(C[C@@H](O)c2ccccc2F)nn1)N1CCN(C(=O)c2ccco2)CC1	217473235	NDGIFFYEGDCDRV-QGZVFWFLSA-N	413.409	1.342	70	40	HDIB	
COCCNC(=O)c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	218054533	WREIPYPVHKFXEZ-JKSUJKDBSA-N	410.474	1.876	70	40	HDIB	
COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1	216783237	PJTWNSOEDHMPKN-UHFFFAOYSA-N	403.504	1.561	70	40	HDIB	
CCOCCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl	216877800	MWMSRYLNFXJYGP-UHFFFAOYSA-N	403.932	1.433	70	40	HDIB	
O=C(CI)Nc1ccc(C(=O)O)c(N2C(=O)CCC2=O)c1	44563772	LNUWOJBBTDACSD-UHFFFAOYSA-N	402.144	1.412	70	40	HDIB	
COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NC2CCN(C)CC2)CC1	216823351	MOUNJWDUPWPLPC-UHFFFAOYSA-N	409.552	1.615	70	40	HDIB	
COc1ccc(N2C[C@H](C(=O)N3CCC(N4C(=O)CSC4=O)CC3)CC2=O)cc1	217790777	RKGDQPDFGNVPMP-CYBMUJFWSA-N	417.487	1.735	70	40	HDIB	
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1nc(-c2cccs2)no1	218329977	ZJTHLGHDWDFSPC-UHFFFAOYSA-N	404.429	1.259	70	40	HDIB	
CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1	218772371	LYAHOQPJZDVVQS-UHFFFAOYSA-N	415.475	1.909	70	40	HDIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCCN1CCCCC1	216864391	RTPKZZGSSUNYCH-UHFFFAOYSA-N	422.595	1.537	70	40	HDIB	
COc1cc2nc(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)[nH]c(=O)c2cc1OC	217563764	WQYFEBXZBRJBBV-UONOGXRCSA-N	408.458	1.721	70	40	HDIB	
COc1ccc(S(=O)(=O)NCCC2CCN(C)CC2)cc1C(=O)N1CCCC1	216942930	PTBRZZFTJFRUME-UHFFFAOYSA-N	409.552	1.941	70	40	HDIB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN(C)CC2)cc1Cl	216814156	WHZNLBGQLWGGQB-UHFFFAOYSA-N	403.932	1.570	70	40	HDIB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCN(C)CC3)CC2)cc1	216826487	ZQKNIGRQRQKKNW-UHFFFAOYSA-N	409.552	1.696	70	40	HDIB	
CN1CCC(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1	216820700	YYBBUVVNCOLAEV-HXUWFJFHSA-N	419.522	1.926	70	40	HDIB	
CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2)no1)c1ccccc1F	218262881	PXVUGIAHBHIIBM-UHFFFAOYSA-N	404.423	1.958	70	40	HDIB	
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)CC1	216886582	QKQIVUJITFECQK-UHFFFAOYSA-N	416.503	1.115	70	40	HDIB	
CSc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1C(=O)N1CCOCC1	217017095	QTIDPLYAPBUROL-UHFFFAOYSA-N	413.565	1.253	70	40	HDIB	
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)C2=O)cc1	218041950	WHFFAVWPRCHMJC-LFRPXUGBSA-N	401.463	1.664	70	40	HDIB	biogenic
CC[C@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccc(C)cc1)S(C)(=O)=O	217016124	QNYOIFJKOISRCL-LJQANCHMSA-N	410.584	1.293	70	40	HDIB	
O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1	217728240	GSFJPNUXINIIRX-OALUTQOASA-N	408.433	1.851	70	40	HDIB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCN(C)CC3)CC2)cc1C	216823199	FGZHYWQFVOEHRZ-UHFFFAOYSA-N	409.552	1.615	70	40	HDIB	
Cc1ccc(OCCNC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1	218762197	KTPJSERXMUKRLB-UHFFFAOYSA-N	406.504	1.960	70	40	HDIB	
CCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccc(Br)cc1	216812250	YMKSZHCJYKGKDC-UHFFFAOYSA-N	418.357	1.670	70	40	HDIB	
COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	216855266	PLTBXLPKRSSWOM-UHFFFAOYSA-N	417.531	1.870	70	40	HDIB	
COc1ccc(N2C[C@@H](C(=O)N3CCC(N4C(=O)CSC4=O)CC3)CC2=O)cc1	217790843	RKGDQPDFGNVPMP-ZDUSSCGKSA-N	417.487	1.735	70	40	HDIB	
CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccc2c(c1)OCCO2	218428355	PPUBILSUSJPHRJ-UHFFFAOYSA-N	402.472	1.809	70	40	HDIB	
COc1cccc(-c2noc(CNC(=O)CN(c3ccccc3)S(C)(=O)=O)n2)c1	218226204	APVFQGJEGGTUQP-UHFFFAOYSA-N	416.459	1.828	70	40	HDIB	
CCOc1ccc(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OCC	218325563	DYTXVUNWGPJRGF-UHFFFAOYSA-N	418.471	1.945	70	40	HDIB	
CS(=O)(=O)c1ccc(CCC(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)cc1	217726653	WQAJEJFMYOMWQT-QZTJIDSGSA-N	416.499	1.185	70	40	HDIB	
COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Cn1cnc(C)c(C)c1=O	217965210	JMFJGLPLRSJGTB-GOEBONIOSA-N	403.410	1.221	70	40	HDIB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCN(C)CC3)C2)cc1C	216824101	XGRFKVRBCNTWOP-MRXNPFEDSA-N	409.552	1.615	70	40	HDIB	
Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3cc(-c4ccco4)on3)CC2)cn1	217965758	BVPGWOYLFBSCGY-UHFFFAOYSA-N	405.436	1.205	70	40	HDIB	
COc1ccc(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)c(OC)c1	216935546	PINUPMFEFKWUBL-UHFFFAOYSA-N	413.540	1.318	70	40	HDIB	
COc1ccccc1CNC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	218429129	YIWRERZITPKGIE-UHFFFAOYSA-N	406.460	1.549	70	40	HDIB	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCc1ccccc1	216786491	SDDJSPLZUBYHAA-UHFFFAOYSA-N	417.531	1.604	70	40	HDIB	
Cn1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cn1	217970168	QBHUYAAXXOLXCN-UHFFFAOYSA-N	418.928	1.159	70	40	HDIB	
O=C1[C@@H]2[C@H]3[C@@H](Br)[C@@H](Br)[C@@H]3C=C[C@H]2N1S(=O)(=O)Cl	104281285	DBDJRMYLAUUFLA-QDJMVLKXSA-N	405.495	1.640	70	40	HDIB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCN(C)CC3)C2)cc1C	216824136	XGRFKVRBCNTWOP-INIZCTEOSA-N	409.552	1.615	70	40	HDIB	
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccccn3)c2)CC1	216876968	SJNRYEOLRPTWBY-UHFFFAOYSA-N	408.911	1.601	70	40	HDIB	
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCN(C)CC3)C2)cc1	216826974	YVOKENTXINWLTF-INIZCTEOSA-N	409.552	1.696	70	40	HDIB	
O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217564677	AWVJYSKVJIYXCY-ARFHVFGLSA-N	417.469	1.723	70	40	HDIB	
Cc1nc2ccc(F)cc2c(=O)n1CC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217568760	FACIGONAMCBHII-LSDHHAIUSA-N	408.433	1.652	70	40	HDIB	
COc1ccc(S(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3o2)cc1C(N)=O	218001372	OURQIRIZYHCRAC-LJQANCHMSA-N	404.444	1.726	70	40	HDIB	
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(NS(C)(=O)=O)c1	218565945	LRGBAAMYSNARNX-UHFFFAOYSA-N	423.516	1.511	70	40	HDIB	
O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1	217728319	GSFJPNUXINIIRX-RTBURBONSA-N	408.433	1.851	70	40	HDIB	
CN(CCCNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccccc1	218421644	FXBZLJCXFYNUPI-UHFFFAOYSA-N	404.536	1.942	70	40	HDIB	
Cc1ncn(CC(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)c(=O)c1C	217845534	HAKXCWHXQZKBRQ-HNNXBMFYSA-N	409.450	1.181	70	40	HDIB	
CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1	216866756	VPYNMCIIEURALN-UHFFFAOYSA-N	423.535	1.038	70	40	HDIB	
COc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)cc1Cl	217740035	KNMAAWLWJQBLBK-OKILXGFUSA-N	410.879	1.673	70	40	HDIB	
O=C1[C@H]2[C@H](C=C[C@H]3[C@H](Br)[C@H](Br)[C@@H]32)N1S(=O)(=O)Cl	104281290	DBDJRMYLAUUFLA-ZWDHIVPGSA-N	405.495	1.640	70	40	HDIB	
COc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1	216883270	ANTDYJPAUBSCCK-UHFFFAOYSA-N	417.531	1.702	70	40	HDIB	
O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218640658	YECIPEXIXIFVTR-UHFFFAOYSA-N	417.395	1.967	70	40	HDIB	
O=C(c1cnn2c1CCCC2)N1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1	217978545	MKCFSPZDMVVPAI-UHFFFAOYSA-N	416.503	1.301	70	40	HDIB	
CC[C@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	217016776	IFSZMGRKGKKNHH-HXUWFJFHSA-N	424.611	1.602	70	40	HDIB	
Nc1ccc(OCCNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c(Cl)c1	104155518	LQGBNMWRNBJDBO-UHFFFAOYSA-N	408.860	1.938	70	40	HDIB	
COc1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(OC)c1	218427439	MUTCPXNPTGRWOM-UHFFFAOYSA-N	422.459	1.880	70	40	HDIB	
C[C@@H](C(=O)NCCCN1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O	218474021	UTNBALGJHUIAOZ-AWEZNQCLSA-N	403.932	1.333	70	40	HDIB	
CNS(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1N1CCN(C)CC1	216789449	YDDBOQDEGJSESD-UHFFFAOYSA-N	402.520	1.277	70	40	HDIB	
CN1CCC(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)CC1	216949575	JHSQLCOJUBUVFB-UHFFFAOYSA-N	407.580	1.871	70	40	HDIB	
CCOC(=O)N1CCC(NC(=O)c2cn(C[C@@H](O)c3ccccc3F)nn2)CC1	217475722	IOMDENUQNKTEEU-QGZVFWFLSA-N	405.430	1.502	70	40	HDIB	
CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O	217741796	NOSGGHBIEWKMEN-VNQPRFMTSA-N	421.494	1.428	70	40	HDIB	biogenic
COc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)cc1	216844693	NXJBBCKLZKVZNP-UHFFFAOYSA-N	419.503	1.892	70	40	HDIB	
CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1	216870783	CVELVHYPALXWDV-UHFFFAOYSA-N	403.932	1.433	70	40	HDIB	
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)C2=O)cc1	218041872	WHFFAVWPRCHMJC-DAESXHAQSA-N	401.463	1.664	70	40	HDIB	biogenic
CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1	216828584	DZNUTQHGFPENGD-UHFFFAOYSA-N	422.551	1.074	70	40	HDIB	
O=c1c(OS(=O)(=O)C(F)(F)F)cc(S(=O)(=O)c2ccccc2)c2n1CCC2	100051276	KBYLVPLHYXIRBC-UHFFFAOYSA-N	423.390	1.856	70	40	HDIB	
O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217843115	UZICWXCQHRLLBQ-CQSZACIVSA-N	420.429	1.916	70	40	HDIB	
COc1ccc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1	218256440	QXJBHHHFBPPKPU-UHFFFAOYSA-N	422.488	1.889	70	40	HDIB	
COc1cccc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c1	218254745	SMKBKGNHWSTGQQ-UHFFFAOYSA-N	422.488	1.889	70	40	HDIB	
CS(=O)(=O)c1ccc(CCC(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)cc1	217726564	WQAJEJFMYOMWQT-ROUUACIJSA-N	416.499	1.185	70	40	HDIB	
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)NCc1ccc2c(c1)OCO2	218012213	DTUMBUFHMCNBTB-QFIPXVFZSA-N	412.442	1.380	70	40	HDIB	
CC1(C)N=C(N)N=C(N)N1c1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	43307751	KERNTPPRHRQPNL-UHFFFAOYSA-N	418.454	1.783	70	40	HDIB	
O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217843205	UZICWXCQHRLLBQ-AWEZNQCLSA-N	420.429	1.916	70	40	HDIB	
Cc1cc(-c2ccncc2)nn1CCNS(=O)(=O)c1ccc(OCC(N)=O)cc1	217872539	NSTJYEXTRREQCA-UHFFFAOYSA-N	415.475	1.096	70	40	HDIB	
Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	217697651	ZNZXTMFNDIZBJQ-UHFFFAOYSA-N	421.903	1.840	70	40	HDIB	
CCS(=O)(=O)N(CC(=O)NCCN(C)c1ccccc1)c1ccc2c(c1)OCO2	218764544	LBDPPWXHTNRSPH-UHFFFAOYSA-N	419.503	1.824	70	40	HDIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1O	216865727	RAUXAKBFBLSVRN-RTBURBONSA-N	409.552	1.307	70	40	HDIB	
NC(=O)COc1ccc(S(=O)(=O)NCCn2ccc(-c3ccsc3)n2)cc1	217894311	UOVCWWHTTRXLDD-UHFFFAOYSA-N	406.489	1.454	70	40	HDIB	
C[C@@](O)(CNS(=O)(=O)c1ccc(OCC(N)=O)cc1)c1cc2ccccc2o1	218001179	WBDMKLLWOLQMOD-LJQANCHMSA-N	404.444	1.483	70	40	HDIB	
CN(Cc1nc(-c2cccs2)no1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	218330813	FMDXVLIQHLACAG-UHFFFAOYSA-N	418.456	1.601	70	40	HDIB	
CN1CCC(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1	216814501	SRFSZKCYCRFKEW-UHFFFAOYSA-N	408.351	1.965	70	40	HDIB	
COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1	218417242	QFRXGMYDOXDVAQ-MRXNPFEDSA-N	421.519	1.892	70	40	HDIB	
COC(=O)Nc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)cc1	217742373	QJQPAJHNIDNDDK-HOTGVXAUSA-N	419.459	1.189	70	40	HDIB	
Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccc5c(c3)OCO5)[C@H]4C2=O)no1	217690137	IZTBLJOFYKYMLD-SIHWBGBFSA-N	409.398	1.315	70	40	HDIB	
CN1CCC(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1	216830322	XUKDEQLDBJOUQC-UHFFFAOYSA-N	417.531	1.754	70	40	HDIB	
O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217585360	IXZDOIFJMAPYEF-KSZLIROESA-N	420.469	1.305	70	40	HDIB	
COc1ccccc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O	218310917	NHMXOGRGUWSZEW-UHFFFAOYSA-N	417.531	1.806	70	40	HDIB	
COc1ccccc1-c1cc(C(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)[nH]n1	217734208	CHFULILCCOBUKN-HUUCEWRRSA-N	406.442	1.861	70	40	HDIB	
CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1N1CCN(C)CC1	216789513	BULLKFYPZWWRRB-INIZCTEOSA-N	416.547	1.838	70	40	HDIB	
CC[C@@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O	217016508	DUOSLVMJSWCCIK-SFHVURJKSA-N	414.547	1.124	70	40	HDIB	
COc1ccc2nnc(CCCC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)n2n1	217581259	LMYOVMLUYBRMKW-LSDHHAIUSA-N	408.462	1.263	70	40	HDIB	
O=C(CCNS(=O)(=O)c1c(F)cccc1F)NCCSC1CCOCC1	217703489	OZVXKZIOZPAIIV-UHFFFAOYSA-N	408.492	1.662	70	40	HDIB	
Cc1cccc(N(CCCC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c1	217035809	DDDZHEDJFAATEK-UHFFFAOYSA-N	410.584	1.295	70	40	HDIB	
CN(CC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1)S(C)(=O)=O	217799924	WADYQHBWCBFYEY-ZDUSSCGKSA-N	410.471	1.548	70	40	HDIB	
COc1ccc(C(=O)NCCc2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1	216783429	GHODMKKMTPJHJL-UHFFFAOYSA-N	417.531	1.604	70	40	HDIB	
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCCN1CCCc2ccccc21	218331124	AJEQVQJBIQRLMZ-UHFFFAOYSA-N	413.499	1.790	70	40	HDIB	
CN(C)S(=O)(=O)N(CC(=O)NCc1nc(-c2cccs2)no1)c1ccccc1	218421009	JRKWKMMVRWPYBS-UHFFFAOYSA-N	421.504	1.727	70	40	HDIB	
COc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C2)cc1F	217474526	MQIAKZUVMDXWIV-ZDUSSCGKSA-N	413.409	1.123	70	40	HDIB	
Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cn1	217967405	NADPUAPEBDBSFV-UHFFFAOYSA-N	416.459	1.063	70	40	HDIB	
COc1ccc(OC[C@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1	218326400	NHIFJFNMMSACQS-ZDUSSCGKSA-N	404.444	1.423	70	40	HDIB	
O=C(c1ccccc1Br)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218632682	QOBXMVREPATMTJ-UHFFFAOYSA-N	414.267	1.782	70	40	HDIB	
COc1ccc(-c2noc(CNC(=O)CN(c3ccccc3)S(C)(=O)=O)n2)cc1	218226305	SDGPJEXSSVDNGS-UHFFFAOYSA-N	416.459	1.828	70	40	HDIB	
O=C1[C@@H]2[C@H](C=C[C@H]3[C@H](Br)[C@H](Br)[C@H]23)N1S(=O)(=O)Cl	104281300	DBDJRMYLAUUFLA-DOZBHNBQSA-N	405.495	1.640	70	40	HDIB	
CCS(=O)(=O)N(CC(=O)NCCC1CCN(C)CC1)c1ccc2c(c1)OCO2	216947549	RORBCQCZIJDXRA-UHFFFAOYSA-N	411.524	1.420	70	40	HDIB	
Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NC1CCN(C)CC1	216835833	QTPQGRQKLLVMGO-UHFFFAOYSA-N	409.552	1.759	70	40	HDIB	
CN(CCNC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccccc1	218762392	YLQWXKRHCPNAAH-UHFFFAOYSA-N	405.520	1.709	70	40	HDIB	
CC(C)n1nccc1[C@@H]1OCC[C@H]1N(CCS(=O)(=O)F)CCS(=O)(=O)F	1615610461	GXFRMWLGMCSNHR-TZMCWYRMSA-N	415.484	1.195	70	40	HDIB	
CN1CCC(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)CC1	216819395	NCQJWRGSQDPPIO-HXUWFJFHSA-N	401.532	1.787	70	40	HDIB	
COc1ccc(C(=O)NC2CCN(C)CC2)cc1S(=O)(=O)NCc1ccccc1	216841547	ANAAJZFFBOGFDW-UHFFFAOYSA-N	417.531	1.998	70	40	HDIB	
COc1ccc(N2C[C@H](C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)CC2=O)cc1	217536908	VTZJVZLSARVTMS-GVDBMIGSSA-N	407.470	1.856	70	40	HDIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCc1ccccc1	216860436	RKVVASDVJUOKTN-UHFFFAOYSA-N	401.532	1.904	70	40	HDIB	
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217851922	REERHYLTDDGGHU-ZDUSSCGKSA-N	404.452	1.775	70	40	HDIB	
CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O	217593322	KBJZBAUKNHDOPE-FHLIZLRMSA-N	405.495	1.462	70	40	HDIB	biogenic
CCCCN1CN(CCCCS(=O)(=O)O)C[C@@H]1OS(=O)(=O)C(F)(F)F	642774902	ZINDFITWOKNDOL-NSHDSACASA-N	412.452	1.222	70	40	HDIB	
COc1ccc(Cl)cc1N(CC(=O)NCCC1CCN(C)CC1)S(C)(=O)=O	216936009	XTJDEKKNFQHLSW-UHFFFAOYSA-N	417.959	1.963	70	40	HDIB	
O=C(c1cn(C[C@H](O)c2ccccc2F)nn1)N1CCN(C(=O)c2ccco2)CC1	217473311	NDGIFFYEGDCDRV-KRWDZBQOSA-N	413.409	1.342	70	40	HDIB	
CN(c1ccc(C(=O)NCCN2CCOCC2)cc1)S(=O)(=O)c1ccccc1	218303394	MRZCXMWFVMFPGT-UHFFFAOYSA-N	403.504	1.574	70	40	HDIB	
CC(C)(C)SCCNC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	218430446	SXIRTNGLIUPIJH-UHFFFAOYSA-N	402.538	1.872	70	40	HDIB	
CCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1	216816361	CSNDAMSUMQOSAC-UHFFFAOYSA-N	403.932	1.570	70	40	HDIB	
COc1ccccc1-c1cc(C(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)[nH]n1	217734105	CHFULILCCOBUKN-GJZGRUSLSA-N	406.442	1.861	70	40	HDIB	
CN1CCC(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1	216829295	IVYRVLYKIDVTCD-UHFFFAOYSA-N	409.552	1.887	70	40	HDIB	
CC[C@@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	217016728	IFSZMGRKGKKNHH-FQEVSTJZSA-N	424.611	1.602	70	40	HDIB	
COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Cn1cnc(C)c(C)c1=O	217965393	JMFJGLPLRSJGTB-HOCLYGCPSA-N	403.410	1.221	70	40	HDIB	
CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCN3CCCCCC3)c2)CC1	216867324	RCSLSBMZYDCHLO-UHFFFAOYSA-N	422.595	1.619	70	40	HDIB	
COC(=O)Nc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)cc1	217742278	QJQPAJHNIDNDDK-IYBDPMFKSA-N	419.459	1.189	70	40	HDIB	
CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2)no1)c1cccc(F)c1	218323309	PQCLTZIZPKIBNF-UHFFFAOYSA-N	404.423	1.958	70	40	HDIB	
CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NC3CCN(C)CC3)cc2)CC1	216834542	YMGUQCZZTKGAEB-UHFFFAOYSA-N	409.552	1.696	70	40	HDIB	
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)ccc1N1CCN(C)CC1	216790126	HZTCKQHWYSFDMG-UHFFFAOYSA-N	402.520	1.907	70	40	HDIB	
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCN(C)CC2)C1	216825113	MNYCXWMMFVWTQZ-INIZCTEOSA-N	409.552	1.615	70	40	HDIB	
COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1	216861759	RSNAVLBGXYMMLC-UHFFFAOYSA-N	417.531	1.870	70	40	HDIB