smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN(c1ccccc1C(=O)NCc1nc(-c2ccccc2Cl)no1)S(C)(=O)=O	218345107	FPQQCVRCWARMLA-UHFFFAOYSA-N	420.878	2.716	70	40	HFIB	
COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)/C=C/c1ccccc1	217981881	ZEESHNBIBDODQX-BJICUUOASA-N	405.447	2.821	70	40	HFIB	
CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2Cl)CC1	216870355	BGPZYAKAUIBNMB-UHFFFAOYSA-N	411.886	2.668	70	40	HFIB	
CN1CCC(CCNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)CC1	217035993	CDIWDBRFFGCWSF-UHFFFAOYSA-N	415.987	2.734	70	40	HFIB	
O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C(F)(F)F)cc1	217768407	DOTNDARFPZGLPK-PBWFPOADSA-N	416.421	2.539	70	40	HFIB	
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C)c1ccccc1	216865373	AYBUSXJOTUTNPN-OAQYLSRUSA-N	415.559	2.812	70	40	HFIB	
CN1CCC(Oc2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)CC1	216940096	GNICFQDDDSDRRN-UHFFFAOYSA-N	403.504	2.783	70	40	HFIB	
O=C(COc1ccc(Cl)cc1Cl)N1Cc2cnc(N3CCOCC3)nc2C1	217614399	PWZHRCQSNLFHDJ-UHFFFAOYSA-N	409.273	2.541	70	40	HFIB	
COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(Cn2ccnc2)cc1	217958101	NCOZWMOBAAANPD-AZUAARDMSA-N	423.444	2.906	70	40	HFIB	
CCOc1ccccc1N(CC(=O)N(C)Cc1ccc(OC)cc1)S(C)(=O)=O	218257057	HTVORTBISXLOQR-UHFFFAOYSA-N	406.504	2.519	70	40	HFIB	
COc1cccc(CCCNC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1	218355954	FTWNYQZUXFVDSX-KRWDZBQOSA-N	404.532	2.907	70	40	HFIB	
CC[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1	218337314	FWOGMWVOGOJOCO-QGZVFWFLSA-N	406.504	2.981	70	40	HFIB	
CSc1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	218432369	LNSQNKUTKJCRNK-UHFFFAOYSA-N	408.501	2.584	70	40	HFIB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCc1ccc(F)cc1	218628024	AJAXBINZCVTXCL-UHFFFAOYSA-N	420.506	2.518	70	40	HFIB	
COc1ccc(N([C@H](C)C(=O)NCCCc2ccccc2OC)S(C)(=O)=O)cc1	218275082	GGMOARPWSQNCBT-MRXNPFEDSA-N	420.531	2.607	70	40	HFIB	
CN(CCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1	218744640	DYUSMRWVWVUUKA-UHFFFAOYSA-N	407.511	2.625	70	40	HFIB	
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(F)cc3)c2)CC1	216876485	IVNAFWBWFXQROO-UHFFFAOYSA-N	411.886	2.668	70	40	HFIB	
O=C(CSc1nc2ccccc2s1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1	217732295	HHQNPZFMKAJRJV-ZIAGYGMSSA-N	413.524	2.550	70	40	HFIB	
CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O	218450635	SEJHFIFQLCZGSK-AWEZNQCLSA-N	421.494	2.757	70	40	HFIB	
COc1ccc(S(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1OC	216941496	DHGSMCCSPWSZHI-UHFFFAOYSA-N	406.504	2.978	70	40	HFIB	
COc1ccc(N([C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1	218276886	OCYKTXJUXKOARL-DLBZAZTESA-N	420.531	2.742	70	40	HFIB	
Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1	218475836	YKCACAZHLJUJCJ-OAHLLOKOSA-N	410.923	2.998	70	40	HFIB	
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1	216874660	KPIMVEKSFQQCKU-UHFFFAOYSA-N	407.923	2.837	70	40	HFIB	
CN(c1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1)S(C)(=O)=O	218338344	MNGIWCDSQXUZPM-UHFFFAOYSA-N	420.878	2.716	70	40	HFIB	
Cc1cc(Cl)ccc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1	216883716	HLUMTTZMKQGKSX-UHFFFAOYSA-N	421.950	2.978	70	40	HFIB	
COc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1	218274160	RNZXPJWAZXZDIG-HNNXBMFYSA-N	406.504	2.517	70	40	HFIB	
Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1NS(C)(=O)=O	218590378	AJPPLBDRMJDDKS-UHFFFAOYSA-N	400.460	2.689	70	40	HFIB	
O=C1[C@@H]2[C@H](C(=O)N1C1CCCCC1)[C@@H]1C=C[C@H]2[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12	217492409	MCOZDZJHNKOQRG-BGSOWLKRSA-N	410.514	2.670	70	40	HFIB	
CC(C)C(NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1)C(C)C	216869973	RLBZKJVDCQPNHO-UHFFFAOYSA-N	415.987	2.687	70	40	HFIB	
Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	216869080	ZVVMRGUYQIJHPB-UHFFFAOYSA-N	407.923	2.837	70	40	HFIB	
CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)CC)cc1)c1ccc(S(C)(=O)=O)cc1	218642957	YZXVPNVIZXPBOC-GOSISDBHSA-N	424.544	2.733	70	40	HFIB	
O=C(c1cnc2ccccc2n1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217843395	PKEKQTRZFMSZJW-AWEZNQCLSA-N	401.430	2.565	70	40	HFIB	
CCc1cccc(C)c1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	218431393	PWWXURAWWBKSTL-UHFFFAOYSA-N	404.488	2.733	70	40	HFIB	
Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCC1CCN(C)CC1)S(C)(=O)=O	216943392	ZHDZBKGPZNHGTE-HNNXBMFYSA-N	415.987	2.651	70	40	HFIB	
Cc1nc(Nc2ccc(I)cc2)cc(N2CCN(C)CC2)n1	216849102	CPYBVBCMCUUQNI-UHFFFAOYSA-N	409.275	2.885	70	40	HFIB	
O=C(NCc1ccc(OC(F)(F)F)cc1)c1cn(C[C@@H](O)c2ccccc2F)nn1	217473611	NDXMFGARJLIIQA-QGZVFWFLSA-N	424.354	2.979	70	40	HFIB	
CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1	218770042	JUYDBNRIXQKHFT-SFHVURJKSA-N	417.531	2.961	70	40	HFIB	
COc1ccc(CSCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1	218112185	LNQWHPZRXKTBHZ-UHFFFAOYSA-N	420.556	2.768	70	40	HFIB	
CSc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1	216884454	XNUKDRPHNYHUPH-UHFFFAOYSA-N	419.572	2.738	70	40	HFIB	
Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NC3CCN(C)CC3)cc2)cc1	216840139	CMHZCXUWHYBKHO-UHFFFAOYSA-N	415.559	2.939	70	40	HFIB	
Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	216859251	WWLFJTAXSHWAHE-GOSISDBHSA-N	415.559	2.731	70	40	HFIB	
Cc1cccc(-c2noc(CNC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)n2)c1	218589689	VFZQLICJAQVCBG-UHFFFAOYSA-N	400.460	2.655	70	40	HFIB	
COc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(C)cc4)N4CCC[C@@H]4[C@@H]3C2=O)cc1	217565213	NCPXALZWXBXALK-MHTWAQMVSA-N	404.466	2.839	70	40	HFIB	
COc1ccccc1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O	218310617	AHRAGNOSBFQBTE-UHFFFAOYSA-N	413.293	2.862	70	40	HFIB	
CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	216856209	HQTNNBATVCSNJE-UHFFFAOYSA-N	419.572	2.905	70	40	HFIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1ccc(F)cc1	216865277	NFLJQDAWYLBDQU-MRXNPFEDSA-N	419.522	2.561	70	40	HFIB	
Cc1ccc([C@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1C	218763208	LRZPGTZENFMMCY-KRWDZBQOSA-N	404.532	2.951	70	40	HFIB	
Cc1ccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c(C)c1	218237925	CFXSCZRKXDBYAA-UHFFFAOYSA-N	403.548	2.712	70	40	HFIB	
COc1ccc(N([C@H](C)C(=O)NCCCc2cccc(OC)c2)S(C)(=O)=O)cc1	218275237	XTJQDSBSHHKKOX-MRXNPFEDSA-N	420.531	2.607	70	40	HFIB	
Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(C)c(NS(C)(=O)=O)c3)n2)c1	218590485	SZRCOOJBQMIRTN-UHFFFAOYSA-N	414.487	2.997	70	40	HFIB	
CCOc1ccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1	218258323	CPGMRYUEENYMCQ-QGZVFWFLSA-N	404.532	2.989	70	40	HFIB	
CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccccc1	216888708	AQICGNYYPFSHLB-OAQYLSRUSA-N	415.559	2.645	70	40	HFIB	
COc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1	218356143	RFOLERAFTDSVDN-KRWDZBQOSA-N	404.532	2.907	70	40	HFIB	
CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccc(OC)c(OC)c2)cc1	218441374	FEJULYOWSOPWOE-UHFFFAOYSA-N	420.531	2.852	70	40	HFIB	
CSc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1	216862419	WUNHHFPGGBNLOG-UHFFFAOYSA-N	419.572	2.905	70	40	HFIB	
COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1	216796849	KSTLRUDBTXJJFR-VAWYXSNFSA-N	409.486	2.743	70	40	HFIB	
COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CCCN2[C@@H]3C(=O)c2ccc(F)cc2)cc1	217601270	YFJVTDOSLWIELC-ZRNYENFQSA-N	408.429	2.669	70	40	HFIB	
Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1	216860659	YDDBDPGSTJKHIY-UHFFFAOYSA-N	401.532	2.800	70	40	HFIB	
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(F)c3)c2)CC1	216877140	JCYSWAREBVBAOZ-UHFFFAOYSA-N	411.886	2.668	70	40	HFIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1NS(C)(=O)=O	218400670	JNJDIBIRQBNQEI-UHFFFAOYSA-N	406.489	2.832	70	40	HFIB	
Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC2CCN(C)CC2)ccc1C	216940422	IGNXXASDIOQLPL-UHFFFAOYSA-N	401.532	2.928	70	40	HFIB	
COC(=O)c1cccc(Cn2cc([C@H]3OCCN3Cc3ccc(OC)cc3)nn2)c1	216778789	PGXADRWPDSIYFC-OAQYLSRUSA-N	408.458	2.653	70	40	HFIB	
CN1CCN(CCCNC(=O)COc2ccc3ccccc3c2Br)CC1	217010805	LEVUVFXHKWHRIT-UHFFFAOYSA-N	420.351	2.735	70	40	HFIB	
C[C@@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)N(c1ccccc1)S(C)(=O)=O	218291378	JKFSLIZMLOGBAU-HNNXBMFYSA-N	414.487	2.550	70	40	HFIB	
O=S(=O)(c1cccnc1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1	217803074	XOGNTBAXOIKYBE-AWEZNQCLSA-N	402.451	2.914	70	40	HFIB	
Cc1cccc(-c2noc(CNC(=O)c3cccc(NS(C)(=O)=O)c3C)n2)c1	218581485	VQXLIGYQKUNPNH-UHFFFAOYSA-N	400.460	2.655	70	40	HFIB	
CCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1	218644014	FWRDDIMISRIJOP-UHFFFAOYSA-N	400.460	2.770	70	40	HFIB	
CN(c1ccccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1)S(C)(=O)=O	218345212	KSOUWDPIORULJP-UHFFFAOYSA-N	420.878	2.716	70	40	HFIB	
O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@H]1COc2ccccc2O1	218301433	OMOSPLLHAXRTDA-OAHLLOKOSA-N	416.231	2.955	70	40	HFIB	
CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	216854178	ZDUWZPKYOSTVEH-UHFFFAOYSA-N	401.532	2.746	70	40	HFIB	
Cc1ccc(C)c(N([C@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c1	218547622	FAYBRYYBAFDEIJ-GOSISDBHSA-N	403.548	2.711	70	40	HFIB	
CCN(c1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1)S(C)(=O)=O	218783888	UKDHFPSLTWHWDZ-UHFFFAOYSA-N	406.489	2.514	70	40	HFIB	
Cc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	216859801	MAPJCKDJYFWVCZ-UHFFFAOYSA-N	415.559	2.512	70	40	HFIB	
Cc1cccc(-c2noc(CN(C)C(=O)c3ccccc3N(C)S(C)(=O)=O)n2)c1	218345431	VKWNXRAEVUOWLX-UHFFFAOYSA-N	414.487	2.713	70	40	HFIB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CC1CCN(C)CC1	216898145	GIRMCZQKVYXDNO-UHFFFAOYSA-N	409.552	2.540	70	40	HFIB	
COC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1	218114237	BWTFIKOPMRIFHW-BJLQDIEVSA-N	405.541	2.862	70	40	HFIB	
CN1CCC(Oc2ccc(NC(=O)c3ccccc3NS(C)(=O)=O)cc2)CC1	216940000	DMZCXUDGZLAGHD-UHFFFAOYSA-N	403.504	2.783	70	40	HFIB	
Cc1ccc(-c2noc(CN(C)C(=O)c3ccccc3N(C)S(C)(=O)=O)n2)cc1	218345545	ILVZQBVYXPXRJI-UHFFFAOYSA-N	414.487	2.713	70	40	HFIB	
Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1	218511166	FGTRCDVPNDNTQO-UHFFFAOYSA-N	402.516	2.897	70	40	HFIB	
CCc1ccccc1N(CC(=O)N[C@H](C)COc1ccc(OC)cc1)S(C)(=O)=O	218245382	JAVUUELIESKBMP-MRXNPFEDSA-N	420.531	2.607	70	40	HFIB	
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)C3CCCCC3)c2)CC1	216880894	GGNKVSIRVIQPFA-UHFFFAOYSA-N	413.971	2.681	70	40	HFIB	
O=C(CCn1cnc2ccccc2c1=O)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217661809	LEOFLUNPDMXIET-SFHVURJKSA-N	414.469	2.519	70	40	HFIB	
COC[C@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218114123	BWTFIKOPMRIFHW-HBFSDRIKSA-N	405.541	2.862	70	40	HFIB	
CCOC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2	218163132	ZOHZOSCRVLSLHD-CMKODMSKSA-N	419.524	2.664	70	40	HFIB	
COc1ccc(-c2noc(CN(C)C(=O)[C@@H]3COc4ccccc4O3)n2)c(OC)c1	218302122	YSYFAQZNGKFKOA-SFHVURJKSA-N	411.414	2.552	70	40	HFIB	
CN(C(=O)COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(=O)(=O)F)cc1	104169677	PPOOPIDQMNACQR-UHFFFAOYSA-N	402.787	2.948	70	40	HFIB	
Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	216854102	PVYJGQGSEIAMBX-UHFFFAOYSA-N	401.532	2.800	70	40	HFIB	
CSc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1	216885687	ZSJPCAXIKJUKME-UHFFFAOYSA-N	419.572	2.738	70	40	HFIB	
O=C(COc1ccc(Cl)cc1Cl)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1	217733109	XJYCMYDUUPASFW-ZIAGYGMSSA-N	409.269	2.534	70	40	HFIB	
C[C@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)N(c1ccccc1)S(C)(=O)=O	218291431	JKFSLIZMLOGBAU-OAHLLOKOSA-N	414.487	2.550	70	40	HFIB	
Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1C	218767987	ATIIHAISWRQCJM-MRXNPFEDSA-N	407.511	2.933	70	40	HFIB	
Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(C(F)(F)F)cc3)[C@H]4C2=O)no1	217712152	KTQCSEVMXJDWGC-RGPZOAQRSA-N	419.359	2.927	70	40	HFIB	
Cc1ccc(OCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1	218744564	KXEIERSOCYZTOG-UHFFFAOYSA-N	408.495	2.876	70	40	HFIB	
COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCN(C)CC1	216784437	CVESCAHELMQGGU-UHFFFAOYSA-N	423.922	2.537	70	40	HFIB	
Cc1cc(C)cc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1	218242424	DRCWIUWADXXSDY-UHFFFAOYSA-N	403.548	2.712	70	40	HFIB	
Cc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1C	216932408	CBAGJKLZOBLTLZ-UHFFFAOYSA-N	415.559	2.709	70	40	HFIB	
C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1	216868868	HMYUPBCVAZKAAA-OAHLLOKOSA-N	421.950	2.767	70	40	HFIB	
Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)C2)cc(=O)n1C	217775284	PAAJPIAEGGXXHI-CYBMUJFWSA-N	416.421	2.555	70	40	HFIB	
Cc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1NS(C)(=O)=O	218590279	UZKXSMUGYFOADU-UHFFFAOYSA-N	420.878	3.000	70	40	HFIB	
CC[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)c1ccc(S(C)(=O)=O)cc1	218581326	GESCBWREUQJYMJ-KRWDZBQOSA-N	424.544	2.651	70	40	HFIB	
Cc1ccc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)N1CCN(C)CC1	216854256	CSVTXQKTZGWLQE-UHFFFAOYSA-N	407.923	2.837	70	40	HFIB	
COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(F)cc3)n2)c(OC)c1	218705270	SGBCZIRRWCAZBF-GFCCVEGCSA-N	401.394	2.977	70	40	HFIB	
Cc1nn(CCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2c1[C@H]1[C@@H](C2)C1(C)C	217455793	VBVKVTWVHZSWRY-MTNXABLMSA-N	406.530	2.685	70	40	HFIB	
O=C(COc1ccc(Cl)cc1Cl)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1	217733027	XJYCMYDUUPASFW-KBPBESRZSA-N	409.269	2.534	70	40	HFIB	
COc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1	218356461	MYWKMYGKOONCCG-IRXDYDNUSA-N	420.531	2.742	70	40	HFIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1N(C)S(C)(=O)=O	218346178	RFHAZJPZLCOCTH-UHFFFAOYSA-N	420.516	2.856	70	40	HFIB	
COc1ccc(CCN2C(=O)[C@H]3[C@H]4C(=O)C[C@@H](c5ccccc54)[C@H]3C2=O)cc1OC	217422225	NLWSWWUEYFPEIE-ZJQURUERSA-N	405.450	2.701	70	40	HFIB	
COc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)cc1	218753103	CHKAXNIHLULNSV-ZDUSSCGKSA-N	413.430	2.846	70	40	HFIB	
O=C(c1cc(-c2ccco2)on1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217837452	ROEWUGWALUGGBD-CYBMUJFWSA-N	406.402	2.870	70	40	HFIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccccc1Cl	216862780	DRYBUEUGJZZYDZ-UHFFFAOYSA-N	421.950	2.515	70	40	HFIB	
CN1CCN(S(=O)(=O)c2cc(C(=O)NC3CCCCCC3)ccc2Cl)CC1	216870421	LEWLSHQECREDJF-UHFFFAOYSA-N	413.971	2.729	70	40	HFIB	
Cn1nc(CN(Cc2ccco2)C(=O)Cn2c(=O)oc3ccccc32)c2c1CCC2	217904726	FOSQAVFZWBIFNJ-UHFFFAOYSA-N	406.442	2.639	70	40	HFIB	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCN(C)CC3)cc2C)cc1	216944746	BHPULFRDHYSPDG-UHFFFAOYSA-N	401.532	2.928	70	40	HFIB	
Cc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1	218384105	JXVWKQRWRJCYGL-OAHLLOKOSA-N	410.923	2.998	70	40	HFIB	
CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1cccc(OCc3ccccc3)c1)C2	217681619	QJSSZUDQSGFAHO-PMACEKPBSA-N	414.527	2.950	70	40	HFIB	
Cc1cc(C)cc(N([C@@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c1	218376719	QRYSNFPCXVTSSO-SFHVURJKSA-N	403.548	2.711	70	40	HFIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(NS(C)(=O)=O)cc1	218405877	IGGDGLSQZYHDJL-UHFFFAOYSA-N	406.489	2.832	70	40	HFIB	
COc1ccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)c(OC)c1	218259570	AZYNDKNUJPFADT-MRXNPFEDSA-N	420.531	2.607	70	40	HFIB	
O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCC(O)(c2ccc(Cl)cc2)CC1	217966320	ZHIZGDXYQZEIAG-IYBDPMFKSA-N	403.914	2.643	70	40	HFIB	
CCOC[C@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1	218102664	YZDYEVBBUQQBDF-HBFSDRIKSA-N	405.541	2.944	70	40	HFIB	
Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1S(=O)(=O)N1CCN(C)CC1	216859399	NUBHXSFVIUNYIR-MRXNPFEDSA-N	419.522	2.561	70	40	HFIB	
O=C(CCS(=O)(=O)c1ccccc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217812723	RLQFGYNMICRMSN-OAHLLOKOSA-N	403.504	2.592	70	40	HFIB	
Cc1ccccc1Oc1ccc(S(=O)(=O)N2CC(N3C(=O)CSC3=O)C2)cc1	217750005	TXGJJGUEKWRONH-UHFFFAOYSA-N	418.496	2.856	70	40	HFIB	
Cn1cc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2cccs2)cn1	217974225	DAUSHMJBZIEAFA-UHFFFAOYSA-N	400.489	2.838	70	40	HFIB	
CCCc1c2nc(-c3cc(S(=O)(=O)Cl)ccc3OCC)[nH]c(=O)c2nn1C	77286753	XPOJLYGSFUUUDG-UHFFFAOYSA-N	410.883	2.602	70	40	HFIB	in-vitro
CN1CCN(S(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc2Cl)CC1	216868929	OXHPHSQDZKMJEM-UHFFFAOYSA-N	421.950	2.548	70	40	HFIB	
Cc1cc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)ccc1NS(C)(=O)=O	218599999	GULTZKCLMWSSTM-UHFFFAOYSA-N	400.460	2.689	70	40	HFIB	
CN1CCC(CCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)CC1	216943634	BUUCCJXRPNQULX-UHFFFAOYSA-N	409.596	2.598	70	40	HFIB	
CC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(S(C)(=O)=O)cc1	218129636	GZEUFLQSBIRTCK-INIZCTEOSA-N	407.488	2.997	70	40	HFIB	
Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1S(=O)(=O)N1CCN(C)CC1	216859373	NUBHXSFVIUNYIR-INIZCTEOSA-N	419.522	2.561	70	40	HFIB	
CC(C)(C)c1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1	218562236	IIRSFZBVGUXRLD-UHFFFAOYSA-N	418.515	2.795	70	40	HFIB	
COc1ccccc1-n1c(C[C@H]2CCCN(C(=O)/C=C/c3ccco3)C2)n[nH]c1=O	217856232	DMPWDULAISOEHK-SIFUEBAJSA-N	408.458	2.657	70	40	HFIB	
CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C	216861075	FKMIEZHYIKFMJN-UHFFFAOYSA-N	417.531	2.582	70	40	HFIB	
CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](C(=O)c2ccccc2)N2CCC[C@H]32)cc1	217589193	GRQHNJFGNPBKRZ-MXEMCNAFSA-N	402.450	2.724	70	40	HFIB	
CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1	216859521	JVRVPPAVKJRATB-FQEVSTJZSA-N	415.559	2.812	70	40	HFIB	
Cc1cc(C(=O)NCc2nc(-c3ccccc3Cl)no2)ccc1NS(C)(=O)=O	218599721	KKJSKXAGGLUOPR-UHFFFAOYSA-N	420.878	3.000	70	40	HFIB	
COc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	216869479	DHPHPYSLMLNGFL-UHFFFAOYSA-N	423.922	2.537	70	40	HFIB	
COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1	218356375	MYWKMYGKOONCCG-SJORKVTESA-N	420.531	2.742	70	40	HFIB	
CSc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C	216863352	GUTBDPWKJNXRIZ-UHFFFAOYSA-N	419.572	2.905	70	40	HFIB	
Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1	216865650	YECVGBHBVVZFCQ-UHFFFAOYSA-N	415.559	2.512	70	40	HFIB	
CC[C@@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(S(C)(=O)=O)cc1	218589411	QAELGZOEZIIMTN-QGZVFWFLSA-N	424.544	2.651	70	40	HFIB	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1	218279024	KJXIBLLMNXGACC-HIFRSBDPSA-N	402.451	2.575	70	40	HFIB	
COc1ccc(OC)c(N(CC(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1	218260221	UEOCNRDPBIDSPQ-UHFFFAOYSA-N	422.503	2.896	70	40	HFIB	
CCOc1ccc(CCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	218286736	CVNLYPKBUQGOCU-KRWDZBQOSA-N	404.532	2.989	70	40	HFIB	
COC1CCN(C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1	217799991	IOQFQAKLWNCAGW-UHFFFAOYSA-N	406.470	2.969	70	40	HFIB	
COc1ccc(C(=O)N2CCN(C)CC2)cc1NS(=O)(=O)c1ccc(Cl)cc1	216844599	KAWQSKVYIMGAFR-UHFFFAOYSA-N	423.922	2.537	70	40	HFIB	
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)C(=O)Nc1cccc(Cl)c1C	218011824	JAMFPADWRHTESA-OAQYLSRUSA-N	402.878	2.936	70	40	HFIB	
CC[C@@H](C(=O)NCCC1CCN(C)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	217016621	OXWMOCGLYUIJNI-FQEVSTJZSA-N	409.596	2.696	70	40	HFIB	
COc1ccc(OCC(=O)N(C)Cc2nc(-c3ccc(OC)cc3OC)no2)cc1	217842968	RESLXIJRTXAJNL-UHFFFAOYSA-N	413.430	2.800	70	40	HFIB	
Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	218367140	ZKHRYAFTOFBGPT-SFHVURJKSA-N	404.532	2.962	70	40	HFIB	
Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(F)c(Cl)c3)[C@H]4C2=O)no1	217719655	KPHULQQCQATNNA-UEABVUSTSA-N	403.797	2.701	70	40	HFIB	
C[C@@H](C(=O)NCCCN1CCCc2ccccc21)N(c1ccccc1)S(C)(=O)=O	218292894	BALORUCJXSWZQT-SFHVURJKSA-N	415.559	2.800	70	40	HFIB	
CC(C)Oc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1	216866903	VACKYCPLVPSHSX-UHFFFAOYSA-N	417.531	2.662	70	40	HFIB	
CCOC[C@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1	218162891	ZOHZOSCRVLSLHD-HBFSDRIKSA-N	419.524	2.664	70	40	HFIB	
COC(=O)c1sccc1S(=O)(=O)NC[C@](C)(O)c1cc2ccccc2s1	217514035	AUNZYYBZKQLWAQ-KRWDZBQOSA-N	411.526	2.935	70	40	HFIB	
O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217837522	ROEWUGWALUGGBD-ZDUSSCGKSA-N	406.402	2.870	70	40	HFIB	
COC(=O)c1ccc(Cn2cc([C@H]3OCCN3Cc3ccc(OC)cc3)nn2)cc1	216778904	OZZOEXGEAGTOLJ-OAQYLSRUSA-N	408.458	2.653	70	40	HFIB	
CN(C)S(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1ccccc1	218416590	JZIRFLOYGCHKLI-UHFFFAOYSA-N	409.939	2.702	70	40	HFIB	
COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C	216861995	KLKTXKPHHFBOHC-UHFFFAOYSA-N	417.531	2.500	70	40	HFIB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H]4CC(=O)[C@@H](c5ccccc54)[C@H]3C2=O)cc1OC	217422377	NLWSWWUEYFPEIE-JJCGOBCMSA-N	405.450	2.701	70	40	HFIB	
O=C([C@H](c1ccccc1)n1cnnn1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21	218120788	DBNXODGUIPCCQD-BFRACDOUSA-N	418.545	2.684	70	40	HFIB	
Cc1c(NS(C)(=O)=O)cccc1C(=O)N(C)Cc1nc(-c2ccccc2)no1	218582265	YELCPHOZUCCUHK-UHFFFAOYSA-N	400.460	2.689	70	40	HFIB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C	216796011	OTRMNWRZMSDJDF-UHFFFAOYSA-N	417.531	2.582	70	40	HFIB	
CCc1ccccc1N(CC(=O)N[C@@H](C)COc1ccc(OC)cc1)S(C)(=O)=O	218245321	JAVUUELIESKBMP-INIZCTEOSA-N	420.531	2.607	70	40	HFIB	
Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1nc(-c2ccccc2Cl)no1	218581972	UOHFIVSKFCWDOY-UHFFFAOYSA-N	420.878	3.000	70	40	HFIB	
COc1ccc(-c2noc(CN(C)C(=O)[C@H]3COc4ccccc4O3)n2)c(OC)c1	218302184	YSYFAQZNGKFKOA-GOSISDBHSA-N	411.414	2.552	70	40	HFIB	
CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1	218444063	LADKTURYUCYBSI-UHFFFAOYSA-N	414.487	2.761	70	40	HFIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1c(C)cccc1C	216860712	ICPLTEWABHTYIZ-UHFFFAOYSA-N	401.532	2.800	70	40	HFIB	
COc1ccc(N([C@H](C)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1	218274427	LTKKGKQXVRGORV-MRXNPFEDSA-N	420.531	2.953	70	40	HFIB	
Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1	218460788	VQEDXBLMJXGHTH-HZPDHXFCSA-N	408.495	2.872	70	40	HFIB	
CC(C)(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O	218264410	FDZZCBFXBLPILF-UHFFFAOYSA-N	421.494	2.759	70	40	HFIB	
CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1	216859495	JVRVPPAVKJRATB-HXUWFJFHSA-N	415.559	2.812	70	40	HFIB	
O=C(Cc1noc2ccccc12)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217838477	DKBTWWLYPADEEO-AWEZNQCLSA-N	404.430	2.692	70	40	HFIB	
Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCCN1CCCc2ccccc21	218583297	SNUXMSJJZQOCRR-UHFFFAOYSA-N	401.532	2.939	70	40	HFIB	
CN1CCC(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1	216932651	CRUMMXRRQMXUOG-UHFFFAOYSA-N	421.950	2.746	70	40	HFIB	
COc1cc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c(OC)cc1Cl	218262095	SMSVOTBHTNMCMT-UHFFFAOYSA-N	416.858	2.901	70	40	HFIB	
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c(C)c1	216860623	XGZDPUAPKIHPGI-UHFFFAOYSA-N	401.532	2.800	70	40	HFIB	
COc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1F	217020881	XRYOWGKNDCUWSE-UHFFFAOYSA-N	408.495	2.786	70	40	HFIB	
Cc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)N1CCN(C)CC1	216856698	JXPLFWUCXALXDM-UHFFFAOYSA-N	421.950	2.515	70	40	HFIB	
O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)[C@@H]1COc2ccccc2O1	217488737	DHYFRGILWHGGSH-IBGZPJMESA-N	415.409	2.896	70	40	HFIB	
Cc1cc(OC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc(=O)n1C	217778826	MERMCFHFDAVKEE-UHFFFAOYSA-N	414.886	2.718	70	40	HFIB	
COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCc1ccccc1C)=C2C	216853061	GHUPBUYRURDLDN-UHFFFAOYSA-N	416.499	2.839	70	40	HFIB	
CN1CCC(CCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1	216937051	OGISYAPZWUOBII-UHFFFAOYSA-N	422.378	2.608	70	40	HFIB	
O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Br)cc1	217763064	MEJDQFNZXKGQHV-XYPWUTKMSA-N	405.292	2.663	70	40	HFIB	
O=C(/C=C\c1ccc2c(c1)OCO2)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217840400	JJGHKRSYZDNJEZ-LEXSJLIMSA-N	419.441	2.750	70	40	HFIB	
O=C(Cn1ncc2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21	218032862	LBGKSLBUGGDVDR-JXKFMYIUSA-N	418.541	2.818	70	40	HFIB	
Cc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1	216888336	VXYONRXLCMZGGQ-SFHVURJKSA-N	415.559	2.563	70	40	HFIB	
CCOC(=O)C1CCN(C(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)CC1	218562126	SVZWJYSUANFQJC-UHFFFAOYSA-N	424.563	2.552	70	40	HFIB	
CN(CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1	218634683	LODNXECMVUHOIL-UHFFFAOYSA-N	421.950	2.991	70	40	HFIB	
Cc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	216872127	BUBCHLOYLYRJIP-UHFFFAOYSA-N	421.950	2.515	70	40	HFIB	
COc1cc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)ccc1OC(C)C	218283985	DFHHYWGVJAXCSG-MRXNPFEDSA-N	420.531	2.953	70	40	HFIB	
COc1ccc(OC[C@@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1	218272133	FVVUDMPFGGQVPI-QGZVFWFLSA-N	420.531	2.662	70	40	HFIB	
Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c(C)c1	216854022	BZEOZIRYCWNUIW-UHFFFAOYSA-N	401.532	2.800	70	40	HFIB	
CCOC[C@@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1	218162953	ZOHZOSCRVLSLHD-WSTZPKSXSA-N	419.524	2.664	70	40	HFIB	
CC(C)C(NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl)C(C)C	216876365	QFQOBHIPKNYPHY-UHFFFAOYSA-N	415.987	2.687	70	40	HFIB	
Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1S(=O)(=O)N1CCCCCC1	218517392	LIVCWMQMIRCRBA-UHFFFAOYSA-N	415.515	2.911	70	40	HFIB	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1	218278925	KJXIBLLMNXGACC-UKRRQHHQSA-N	402.451	2.575	70	40	HFIB	
CC[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(OC)c(OC)c1	218344163	UVSAFTNEXBJGJX-INIZCTEOSA-N	406.504	2.981	70	40	HFIB	
C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl)c1ccccc1	216874229	XAIUPOIHDHKNML-HNNXBMFYSA-N	421.950	2.767	70	40	HFIB	
COc1ccc(OC[C@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1	218280982	CPYGUIHJCLHMPH-INIZCTEOSA-N	420.531	2.662	70	40	HFIB	
CCN(c1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1)S(C)(=O)=O	218784006	QRYJBEXTYWPWQL-UHFFFAOYSA-N	414.487	2.795	70	40	HFIB	
CN1CCC(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)CC1	217021939	XTHGVRSJWNDEPL-UHFFFAOYSA-N	407.923	2.965	70	40	HFIB	
CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1	218769958	JUYDBNRIXQKHFT-GOSISDBHSA-N	417.531	2.961	70	40	HFIB	
Cc1ccc2c(c1)[C@H](NC(=O)CN1C(=O)c3ccccc3S1(=O)=O)CC(C)(C)O2	218327888	VJACIJYTQFEYHN-MRXNPFEDSA-N	414.483	2.558	70	40	HFIB	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CCN(C)CC3)c2C)cc1	216944320	ZIGWKBPWJZYGPN-UHFFFAOYSA-N	401.532	2.928	70	40	HFIB	
COc1ccc(-c2n[nH]c(C)c2CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1	218043568	MUORCAQIJUINOM-FUHWJXTLSA-N	418.497	2.744	70	40	HFIB	
COc1ccc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCCCc3ccccc3)[C@H]4C2=O)cc1	217709760	WXGYNYCQOCDAQB-APDHKMKFSA-N	418.493	2.731	70	40	HFIB	
COc1ccc(OC[C@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1	218240811	YZCIMCSXANNTEF-KRWDZBQOSA-N	420.531	2.662	70	40	HFIB	
COC(=O)c1ccc(Cn2cc([C@@H]3OCCN3Cc3ccc(OC)cc3)nn2)cc1	216778860	OZZOEXGEAGTOLJ-NRFANRHFSA-N	408.458	2.653	70	40	HFIB	
CCOc1ccc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OCC	218283828	VQBNSXVHGUGPDQ-MRXNPFEDSA-N	420.531	2.955	70	40	HFIB	
CS(=O)(=O)Nc1cccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)c1	218570273	DOQPJDNHFIBLAD-UHFFFAOYSA-N	406.851	2.692	70	40	HFIB	
Cc1ccc(C)c(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1	216881477	JWYULKPNYDLFKW-UHFFFAOYSA-N	401.532	2.633	70	40	HFIB	
COc1ccc(OC)c(-c2cc(C(=O)NCCSC3CCOCC3)n(C)n2)c1	217703261	WSPPWHNVPPGTLY-UHFFFAOYSA-N	405.520	2.746	70	40	HFIB	
Cc1ccc([C@@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1C	218763168	LRZPGTZENFMMCY-QGZVFWFLSA-N	404.532	2.951	70	40	HFIB	
Cc1cc(C(=O)NCCCN2CCCc3ccccc32)ccc1NS(C)(=O)=O	218601117	RJXFURWJEXAAFM-UHFFFAOYSA-N	401.532	2.939	70	40	HFIB	
C[C@@H](C(=O)NCCN(C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	218384310	GQWXZVHOMNMEHL-HNNXBMFYSA-N	409.939	2.747	70	40	HFIB	
Cc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1	216888297	VXYONRXLCMZGGQ-GOSISDBHSA-N	415.559	2.563	70	40	HFIB	
COc1ccc(-c2noc(CNC(=O)c3ccc(CN4CCOCC4)cc3)n2)cc1	218076661	NZUKYPCZVKZLNP-UHFFFAOYSA-N	408.458	2.507	70	40	HFIB	
O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cnn3c2CCCC3)CC1	217977180	CXMHRPQSNAUDNQ-UHFFFAOYSA-N	406.408	2.836	70	40	HFIB	
C[C@@H](C(=O)N(C)Cc1nc(-c2cccs2)no1)N(c1ccccc1)S(C)(=O)=O	218292335	ADLKRTSDFQGRSY-ZDUSSCGKSA-N	420.516	2.611	70	40	HFIB	
COc1ccc(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1	218274956	PGNMCBZKQTZMLI-OAHLLOKOSA-N	408.495	2.738	70	40	HFIB	
CC(C)c1ccc(CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1	218331019	FSKPOILNPQVRES-UHFFFAOYSA-N	400.500	2.704	70	40	HFIB	
Cc1c(Cl)cccc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1	216883848	BKLBJJSYDVRWRT-UHFFFAOYSA-N	421.950	2.978	70	40	HFIB	
CS(=O)(=O)N(CC(=O)NCCCN1CCCc2ccccc21)c1ccccc1F	218264328	MXRQLTZPAHZEKV-UHFFFAOYSA-N	419.522	2.551	70	40	HFIB	
CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)COc2ccc(OC)cc2)cc1	218440031	GBXMWEZOPWBNQO-HNNXBMFYSA-N	406.504	2.678	70	40	HFIB	
CC[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)c1ccc(S(C)(=O)=O)cc1	218581261	GESCBWREUQJYMJ-QGZVFWFLSA-N	424.544	2.651	70	40	HFIB	
COc1ccc(CCCNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1OC	218596521	QRWPLBNMBBFLCP-UHFFFAOYSA-N	406.504	2.746	70	40	HFIB	
Cc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1C	216882788	XILYAPIBGVYTAZ-UHFFFAOYSA-N	401.532	2.633	70	40	HFIB	
COc1cc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)ccc1OC(C)C	218333097	WLOWGMSMKKWPAF-UHFFFAOYSA-N	406.504	2.808	70	40	HFIB	
Cc1ccc(OCCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1	218475913	YKCACAZHLJUJCJ-HNNXBMFYSA-N	410.923	2.998	70	40	HFIB	
Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)[C@H]4C2=O)no1	217719565	KPHULQQCQATNNA-RGPZOAQRSA-N	403.797	2.701	70	40	HFIB	
Cc1cc(S(=O)(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)c(Cl)cc1Cl	217789083	BYCUPWBLAJGCTH-VIFPVBQESA-N	409.316	2.760	70	40	HFIB	
CCS(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1	218444704	XCPMMTSEMHTQBB-UHFFFAOYSA-N	414.487	2.795	70	40	HFIB	
COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1	216875384	WKJUHECQADUYAL-UHFFFAOYSA-N	423.922	2.537	70	40	HFIB	
Cc1ccc(N(CC(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)cc1	218235828	ULXFHSCIHJODME-UHFFFAOYSA-N	415.559	2.720	70	40	HFIB	
Cc1cccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)n2)c1	218290388	DAWPXTAPAIIKEX-OAHLLOKOSA-N	414.487	2.516	70	40	HFIB	
COc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1	218457835	MEFUPDKXXGLDHR-HNNXBMFYSA-N	408.495	2.738	70	40	HFIB	
C[C@@H](C(=O)NCCN(C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O	218476007	PFKHZNSNOWLCMG-HNNXBMFYSA-N	409.939	2.747	70	40	HFIB	
Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1	218582083	FHFUDZUAVMBQJK-UHFFFAOYSA-N	420.878	3.000	70	40	HFIB	
Cc1ccc(N([C@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1C	218367701	OFQANOZXVYJRPH-GOSISDBHSA-N	403.548	2.711	70	40	HFIB	
CN(Cc1ccc(OCC(=O)NCCCc2ccc(Cl)cc2)cc1)S(C)(=O)=O	218761780	UFFFTOMICRNSFZ-UHFFFAOYSA-N	424.950	2.859	70	40	HFIB	
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1	216941688	UXLUOTGOICECLG-UHFFFAOYSA-N	417.531	2.597	70	40	HFIB	
CS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1	218404837	BFIVXVASHSCVRW-UHFFFAOYSA-N	406.851	2.692	70	40	HFIB	
CCN(c1ccc(C(=O)N[C@H](C)COc2ccc(OC)cc2)cc1)S(C)(=O)=O	218778232	PMIOOTGODDSMMI-OAHLLOKOSA-N	406.504	2.678	70	40	HFIB	
Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	216859277	WWLFJTAXSHWAHE-SFHVURJKSA-N	415.559	2.731	70	40	HFIB	
Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1	218405165	ROCRURXTSAOGIU-UHFFFAOYSA-N	400.460	2.689	70	40	HFIB	
Cc1ccc(C2(CN(CCS(=O)(=O)F)CCS(=O)(=O)F)CCC2)cc1C	1615611219	WZMZENGIJHVVFT-UHFFFAOYSA-N	409.520	2.626	70	40	HFIB	
COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1	218275322	RNYVFIRRXWTHDV-MRXNPFEDSA-N	420.531	2.607	70	40	HFIB	
COc1ccc(N([C@H](C)C(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1	218277077	QCVXSAMTTWPQOO-DLBZAZTESA-N	420.531	2.742	70	40	HFIB	
Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl	216875900	UFLDPPYSOSOUJK-UHFFFAOYSA-N	421.950	2.515	70	40	HFIB	
COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1	218457750	MEFUPDKXXGLDHR-OAHLLOKOSA-N	408.495	2.738	70	40	HFIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccccc1Cl	216860887	JVIPIKAVYSGOLS-UHFFFAOYSA-N	407.923	2.837	70	40	HFIB	
CCc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1	218307294	DGMBNNWZQMPUGO-UHFFFAOYSA-N	419.522	2.503	70	40	HFIB	
CCOc1ccc(CNC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1OCC	218340639	BLPYLXSEZYQXMP-UHFFFAOYSA-N	406.504	2.810	70	40	HFIB	
Cc1cccc(-c2noc(CN(C)C(=O)c3cccc(NS(C)(=O)=O)c3C)n2)c1	218582354	KHHJYZBEJKBWKJ-UHFFFAOYSA-N	414.487	2.997	70	40	HFIB	
Cc1ccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1NS(C)(=O)=O	218591087	ZOZMNTHXBZKYBK-UHFFFAOYSA-N	406.489	2.750	70	40	HFIB	
COC(=O)C/N=C/C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1	101513436	BHFBZMQIRWIACP-NLRVBDNBSA-N	400.418	2.920	70	40	HFIB	
CS(=O)(=O)N(CC(=O)NCCCN1CCCc2ccccc21)c1ccc(F)cc1	218266490	MVKDFOCKTHAZSF-UHFFFAOYSA-N	419.522	2.551	70	40	HFIB	
COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(F)cc3)n2)c(OC)c1	218705342	SGBCZIRRWCAZBF-LBPRGKRZSA-N	401.394	2.977	70	40	HFIB	
COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1	216783951	OZAZCKYBQMOSKD-UHFFFAOYSA-N	417.531	2.500	70	40	HFIB	
CC(C)c1ccc(OCC(=O)NCCCN2CCN(C)CC2)c(Br)c1	217010031	QLTQCGVODGNWES-UHFFFAOYSA-N	412.372	2.705	70	40	HFIB	
CC(C)c1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	218426245	FAAZYRLTMCTYFV-UHFFFAOYSA-N	404.488	2.986	70	40	HFIB	
COC(=O)c1cccc(Cn2cc([C@@H]3OCCN3Cc3ccc(OC)cc3)nn2)c1	216778744	PGXADRWPDSIYFC-NRFANRHFSA-N	408.458	2.653	70	40	HFIB	
O=C(NCc1ccccn1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1	217815329	IBJPSFPBLDJKPE-IYBDPMFKSA-N	405.495	2.622	70	40	HFIB	
O=C(CNC(=O)OCc1ccccc1)Nc1cnn(C[C@H]2COc3ccccc3O2)c1	218279767	IYHUGHSFMYRSEZ-SFHVURJKSA-N	422.441	2.588	70	40	HFIB	
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c32)c(F)c1	217816442	BLIAVVSVFQAAJL-CHWSQXEVSA-N	413.453	2.518	70	40	HFIB	
CCc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1	216937279	AQCWXJGDOYWUFR-UHFFFAOYSA-N	415.559	2.655	70	40	HFIB	
CC[C@H](C)[C@H](C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)N1Cc2ccccc2C1=O	218060629	STDQPPOMFNGHQX-MOKWFATOSA-N	419.525	2.865	70	40	HFIB	
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)Nc1cccc(Cl)c1C	218011921	JAMFPADWRHTESA-NRFANRHFSA-N	402.878	2.936	70	40	HFIB	
CCS(=O)(=O)Nc1ccc(C(=O)NCCCc2ccc(OC)c(OC)c2)cc1	218640645	PLRBFEDLWKLDQD-UHFFFAOYSA-N	406.504	2.828	70	40	HFIB	
COc1ccccc1-n1c(C[C@H]2CCCN(C(=O)c3cc(C)oc3C)C2)n[nH]c1=O	217856481	MMBSSLLSFIMLJL-MRXNPFEDSA-N	410.474	2.874	70	40	HFIB	
COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1	218356058	RFOLERAFTDSVDN-QGZVFWFLSA-N	404.532	2.907	70	40	HFIB	
O=C(CCn1cnc2ccccc2c1=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217661724	LEOFLUNPDMXIET-GOSISDBHSA-N	414.469	2.519	70	40	HFIB	
O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cc(=O)[nH]c2ccccc12	218283266	ZDKWMJSERPWBJJ-OAHLLOKOSA-N	402.410	2.817	70	40	HFIB	
COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(=O)c2ccccc2o1	217892403	VBNYBXZFXQOQCW-XJKSGUPXSA-N	411.385	2.767	70	40	HFIB	
CS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1	218404739	BYZQHKAYYOIROI-UHFFFAOYSA-N	406.851	2.692	70	40	HFIB	
Cc1ccc(N(CCCC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1C	216943589	PQQZCQJYWRIMFC-UHFFFAOYSA-N	409.596	2.698	70	40	HFIB	
CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC[C@H](Cc3nc(C4CC4)no3)C1)C(=O)C2	217824534	YNGRIZRWVARLIT-IVZHQMGZSA-N	421.563	2.927	70	40	HFIB	
Cc1ccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1C	218244460	HGNDSIVAMUICBP-UHFFFAOYSA-N	403.548	2.712	70	40	HFIB	
C[C@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccccc4)[C@H]4C=C[C@@]3(O4)[C@@H]12	217509978	WPBZOXULLMVBCB-RURQLNNESA-N	418.449	2.719	70	40	HFIB	
O=C(c1ccc2nsnc2c1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217844381	AEGFIYQVCSQJIS-LBPRGKRZSA-N	407.459	2.626	70	40	HFIB	
COc1cccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCOCC4)cc3)n2)c1	218077228	QWLOPBSLBBWBNE-UHFFFAOYSA-N	422.485	2.850	70	40	HFIB	
CN1CCC(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1	216942854	KNUBREXMBURXED-UHFFFAOYSA-N	413.971	2.586	70	40	HFIB	
COc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O	218355687	RRRDZJDLMTZHJZ-QGZVFWFLSA-N	404.532	2.907	70	40	HFIB	
CC[C@H](NC(=O)c1ccc(NS(=O)(=O)CC)cc1)c1ccc(S(C)(=O)=O)cc1	218643035	YZXVPNVIZXPBOC-SFHVURJKSA-N	424.544	2.733	70	40	HFIB	
Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccsc3-c3nc(C4CC4)no3)cc21	217286960	YOYOJHKAUIYUHJ-UHFFFAOYSA-N	418.456	2.921	70	40	HFIB	
COc1ccccc1-n1c(C[C@@H]2CCCN(C(=O)/C=C/c3ccco3)C2)n[nH]c1=O	217856146	DMPWDULAISOEHK-OFAQMXQXSA-N	408.458	2.657	70	40	HFIB	
Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1	216860740	HQUDBINMSFNOAM-UHFFFAOYSA-N	401.532	2.800	70	40	HFIB	
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3F)c2)CC1	216876424	QQSSVRABNFFMQA-UHFFFAOYSA-N	411.886	2.668	70	40	HFIB	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(Cl)cc1	216787458	FCQLOEYHKHFTMT-UHFFFAOYSA-N	423.922	2.537	70	40	HFIB	
COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(=O)c2ccccc2o1	217892313	VBNYBXZFXQOQCW-BBRMVZONSA-N	411.385	2.767	70	40	HFIB	
COC1CCN(C2CCN(S(=O)(=O)c3ccccc3Br)CC2)CC1	217795677	XPXMKTJFGGJEDQ-UHFFFAOYSA-N	417.369	2.713	70	40	HFIB	
Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCC1CCN(C)CC1	216945040	NSFFAFCOSATNCC-UHFFFAOYSA-N	421.607	2.877	70	40	HFIB	
COCCn1cc(CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21	218047265	FLJVMOLOJULZJK-PKOBYXMFSA-N	405.498	2.638	70	40	HFIB	
Cc1ccc2c(c1)[C@@H](NC(=O)CN1C(=O)c3ccccc3S1(=O)=O)CC(C)(C)O2	218327820	VJACIJYTQFEYHN-INIZCTEOSA-N	414.483	2.558	70	40	HFIB	
Cc1cc(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])cc1I	103631760	DRTLILORMKYAED-UHFFFAOYSA-N	411.095	2.736	70	40	HFIB	
Cc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1	216869041	OQWREIJSUPLMBO-UHFFFAOYSA-N	407.923	2.837	70	40	HFIB	
CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O	218450577	SEJHFIFQLCZGSK-CQSZACIVSA-N	421.494	2.757	70	40	HFIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccc(Cl)cc1	216861658	VQBHWRCNYFBRBT-UHFFFAOYSA-N	421.950	2.515	70	40	HFIB	
COc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1	218274878	PGNMCBZKQTZMLI-HNNXBMFYSA-N	408.495	2.738	70	40	HFIB	
C[C@H](C(=O)NCCSCc1ccco1)N(c1ccc(F)cc1)S(C)(=O)=O	218449733	ASAKDQAJHFOLSP-CYBMUJFWSA-N	400.497	2.623	70	40	HFIB	
COc1cc(CCNC(=O)c2ccccc2F)c(S(=O)(=O)Cl)cc1OC	100027019	MJWNEAFPZHLTAK-UHFFFAOYSA-N	401.843	2.743	70	40	HFIB	
Cc1cc(O[C@H]2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)C2)cc(=O)n1C	217775380	PAAJPIAEGGXXHI-ZDUSSCGKSA-N	416.421	2.555	70	40	HFIB	
CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1cc(Br)ccc1Cl)C2	217682438	UKFCDWIHTSAQAN-RYUDHWBXSA-N	421.744	2.787	70	40	HFIB	
Cc1ccc(N([C@@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1	218363942	ZBFDWVKMHQTFPP-SFHVURJKSA-N	403.548	2.792	70	40	HFIB	
CN1CCN(S(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2Cl)CC1	216872005	PYTXIHSIJVQCAV-UHFFFAOYSA-N	407.923	2.553	70	40	HFIB	
Cc1ccc(C)c(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1	218240323	RZAVQJNDNWYZHF-UHFFFAOYSA-N	403.548	2.712	70	40	HFIB	
CCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1	218645569	BUYHXCGQMGYDOE-UHFFFAOYSA-N	406.489	2.832	70	40	HFIB	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(C)c(C)c1	216787025	OSPFODGOJUKMNF-UHFFFAOYSA-N	417.531	2.500	70	40	HFIB	
COc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O	218355759	RRRDZJDLMTZHJZ-KRWDZBQOSA-N	404.532	2.907	70	40	HFIB	
O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)[C@H]1COc2ccccc2O1	217488820	DHYFRGILWHGGSH-LJQANCHMSA-N	415.409	2.896	70	40	HFIB	
O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1cc(=O)[nH]c2ccccc12	218283325	ZDKWMJSERPWBJJ-HNNXBMFYSA-N	402.410	2.817	70	40	HFIB	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)CC3	217407621	FAHKQVDBQYDALV-ZWKOTPCHSA-N	416.525	2.642	70	40	HFIB	
CCc1ccc(N(CC(=O)N[C@H](C)COc2ccc(OC)cc2)S(C)(=O)=O)cc1	218308021	RINAFFYNAHDOSG-MRXNPFEDSA-N	420.531	2.607	70	40	HFIB	
COc1cc(CCNC(=O)c2ccc(F)cc2)c(S(=O)(=O)Cl)cc1OC	100027022	LQRPGVSMCCTGQK-UHFFFAOYSA-N	401.843	2.743	70	40	HFIB	
Cn1cc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCc3ccccc3C2)cn1	217973672	SHLSXUNLVPWTEQ-UHFFFAOYSA-N	420.498	2.727	70	40	HFIB	
CCOc1ccc(CCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	218286682	CVNLYPKBUQGOCU-QGZVFWFLSA-N	404.532	2.989	70	40	HFIB	
Cc1cc(Cl)ccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	218429789	XNPKBXPABYDBMU-UHFFFAOYSA-N	410.879	2.824	70	40	HFIB	
CN1CCC(Oc2ccc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2)CC1	216938722	NWABJQUMMUFASG-UHFFFAOYSA-N	417.531	2.808	70	40	HFIB	
COc1ccc2c(c1)c(C(=O)CN1C[C@H]3C[C@H](C1)c1cccc(=O)n1C3)c(C)n2C	217446473	PYLRODCXSXGOFG-IAGOWNOFSA-N	405.498	2.959	70	40	HFIB	
Cc1ccc(Cl)cc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	218429893	FTLOFCISHHOQMR-UHFFFAOYSA-N	410.879	2.824	70	40	HFIB	
COc1ccc(N([C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1	218274377	LTKKGKQXVRGORV-INIZCTEOSA-N	420.531	2.953	70	40	HFIB	
COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1S(=O)(=O)N1CCN(C)CC1	216784016	IATRUDPWRITKFH-UHFFFAOYSA-N	417.531	2.500	70	40	HFIB	
CCc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1	216881658	BFZMCBMTVWPOOI-UHFFFAOYSA-N	401.532	2.579	70	40	HFIB	
COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1	218458098	QRULHRZMNZKDHH-CABCVRRESA-N	424.494	2.573	70	40	HFIB	
CCOc1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OCC	218332982	KEOUJPYZWWVUCV-UHFFFAOYSA-N	406.504	2.810	70	40	HFIB	
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)C2CCCCC2)cc1	216797909	ACNOIIZHXWQPDF-UHFFFAOYSA-N	407.580	2.529	70	40	HFIB	
COc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O	218457481	JXBCCISPHDPHJV-HNNXBMFYSA-N	408.495	2.738	70	40	HFIB	
CCc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1	216882852	ZCBBXZHNMHKRGR-UHFFFAOYSA-N	401.532	2.579	70	40	HFIB	
Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCN(C)c1ccccc1	218622309	MRHUBFXNHWLEAE-UHFFFAOYSA-N	401.532	2.646	70	40	HFIB	
O=C(CNC(=O)OCc1ccccc1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1	218279717	IYHUGHSFMYRSEZ-GOSISDBHSA-N	422.441	2.588	70	40	HFIB	
CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(S(C)(=O)=O)cc1	218129549	GZEUFLQSBIRTCK-MRXNPFEDSA-N	407.488	2.997	70	40	HFIB	
CS(=O)(=O)Nc1ccccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1	218399556	SLIUXAAWDUXPGE-UHFFFAOYSA-N	406.851	2.692	70	40	HFIB	
Cc1cc(C(=O)N(C)Cc2nc(-c3cccs3)no2)ccc1NS(C)(=O)=O	218600710	VOURKBKJRVGMIO-UHFFFAOYSA-N	406.489	2.750	70	40	HFIB	
CN1CCC(CCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)CC1	216937013	VGRXOPGEDPRDLH-UHFFFAOYSA-N	422.378	2.608	70	40	HFIB	
CCS(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1	218445447	KOZDKYBXLKCODA-UHFFFAOYSA-N	420.516	2.856	70	40	HFIB	
Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1	218461013	VQEDXBLMJXGHTH-HOTGVXAUSA-N	408.495	2.872	70	40	HFIB	
COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)/C=C/c1ccccc1	217982024	ZEESHNBIBDODQX-KBXJCHCYSA-N	405.447	2.821	70	40	HFIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(Cl)cc1	216860962	LLTAJVSCEWHDMO-UHFFFAOYSA-N	407.923	2.837	70	40	HFIB	
Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2)c1	218405063	AENXPHUIGKLUPJ-UHFFFAOYSA-N	400.460	2.689	70	40	HFIB	
O=C(Cc1noc2ccccc12)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217838398	DKBTWWLYPADEEO-CQSZACIVSA-N	404.430	2.692	70	40	HFIB	
COC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc2c(c1)OCO2	218174605	GSBURYVQEOYAKB-CMKODMSKSA-N	419.524	2.582	70	40	HFIB	
CN1CCC(CCNC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)CC1	216940225	VFAKSYCWPUQWTQ-UHFFFAOYSA-N	401.532	2.949	70	40	HFIB	
Cc1cc(-c2ccncc2)nn1CCNC(=O)c1ccccc1S(=O)(=O)C(F)F	217869936	YQDMUDMBSAAFPZ-UHFFFAOYSA-N	420.441	2.680	70	40	HFIB	
Cc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1	216879858	DKHRTWJPDIWCTP-UHFFFAOYSA-N	421.950	2.515	70	40	HFIB	
COc1ccc(CCN2C(=O)[C@H]3[C@H]4CC(=O)[C@@H](c5ccccc54)[C@H]3C2=O)cc1OC	217422299	NLWSWWUEYFPEIE-HAFPXEGZSA-N	405.450	2.701	70	40	HFIB	
Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(C(F)(F)F)cc3)[C@H]4C2=O)no1	217712253	KTQCSEVMXJDWGC-UEABVUSTSA-N	419.359	2.927	70	40	HFIB	
COc1ccc(OC[C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1	218240735	YZCIMCSXANNTEF-QGZVFWFLSA-N	420.531	2.662	70	40	HFIB	
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1	216865157	WJRNKMSXDIPZAY-SFHVURJKSA-N	415.559	2.731	70	40	HFIB	
CCOc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1	216864554	SQVHDQWJKQDJKN-UHFFFAOYSA-N	417.531	2.582	70	40	HFIB	
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1	218278867	KJXIBLLMNXGACC-DZGCQCFKSA-N	402.451	2.575	70	40	HFIB	
Cc1c(NS(C)(=O)=O)cccc1C(=O)N(C)Cc1nc(-c2cccs2)no1	218582905	ARDQSQCZURMKKB-UHFFFAOYSA-N	406.489	2.750	70	40	HFIB	
Cc1ccc(-c2noc(CNC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)n2)cc1	218589803	UVQALKKUJFRCHG-UHFFFAOYSA-N	400.460	2.655	70	40	HFIB	
CCCCOc1ccc(NC(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)cc1	218619466	JCSMJONTJOXHDV-UHFFFAOYSA-N	422.493	2.590	70	40	HFIB	
Cc1cccc(N(CC(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)c1	218233071	WFSRPZYVILSVBA-UHFFFAOYSA-N	415.559	2.720	70	40	HFIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc(Cl)c1	216860923	PVRMMRURYUWFSN-UHFFFAOYSA-N	407.923	2.837	70	40	HFIB	
COc1ccccc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O	218311007	OAWCARJBLUODMI-UHFFFAOYSA-N	416.543	2.943	70	40	HFIB	
C[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O	218465161	IHJPYFQGUANFTA-INIZCTEOSA-N	407.511	2.623	70	40	HFIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(N(C)S(C)(=O)=O)cc1	218339514	CQHNTKQRFXQKEO-UHFFFAOYSA-N	420.516	2.856	70	40	HFIB	
COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1	218276829	OCYKTXJUXKOARL-IRXDYDNUSA-N	420.531	2.742	70	40	HFIB	
CCS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1	218643238	YISGXGJRZIKVGJ-UHFFFAOYSA-N	400.460	2.737	70	40	HFIB	
Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O	218460676	OZDCPZPJXMSNKL-HOTGVXAUSA-N	408.495	2.872	70	40	HFIB	
COC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2cc3ccccc3s2)cc1	217519824	DDJYTGBNAQUBLR-OAQYLSRUSA-N	412.467	2.650	70	40	HFIB	
COc1ccc(OC[C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1	218238471	YQHCAQAHHMNWTA-QGZVFWFLSA-N	420.531	2.662	70	40	HFIB	
Cc1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl	218430009	MAROGPOTBGBXDZ-UHFFFAOYSA-N	410.879	2.824	70	40	HFIB	
Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c1	218761651	STUGJTICKUFTLZ-KRWDZBQOSA-N	404.532	2.951	70	40	HFIB	
CCOC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2	218163035	ZOHZOSCRVLSLHD-BJLQDIEVSA-N	419.524	2.664	70	40	HFIB	
COc1ccc(CCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OC	218286990	LNXQIONMYXPVJA-INIZCTEOSA-N	420.531	2.607	70	40	HFIB	
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c32)c(F)c1	217816518	BLIAVVSVFQAAJL-OLZOCXBDSA-N	413.453	2.518	70	40	HFIB	
COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(F)cc1C	217984258	SZDMMUFNSCUWHL-GOEBONIOSA-N	411.426	2.657	70	40	HFIB	
CCC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(CC3CCOCC3)c2)c(C)c1	218247919	OHZBSJHFMMDNES-UHFFFAOYSA-N	406.508	2.767	70	40	HFIB	
CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)c1ccc(S(C)(=O)=O)cc1	218598913	DUPFQKYLDUJFJG-QGZVFWFLSA-N	424.544	2.651	70	40	HFIB	
CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C	216860809	KNYZZIAWSQPZCN-UHFFFAOYSA-N	401.532	2.746	70	40	HFIB	
COc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1	218275387	RNYVFIRRXWTHDV-INIZCTEOSA-N	420.531	2.607	70	40	HFIB	
Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCC1CCN(C)CC1)S(C)(=O)=O	216943415	ZHDZBKGPZNHGTE-OAHLLOKOSA-N	415.987	2.651	70	40	HFIB	
CN1CCC(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1	216937480	OICBPLOUSXZJIZ-UHFFFAOYSA-N	421.950	2.746	70	40	HFIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21	218754529	GOTUPGWDTQLKJI-HXUWFJFHSA-N	418.515	2.692	70	40	HFIB	
COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(=O)c2ccccc2o1	217892590	VBNYBXZFXQOQCW-CZUORRHYSA-N	411.385	2.767	70	40	HFIB	
Cc1nnn([C@@]23C[C@H]4C[C@@H](C2)C[C@](C(=O)N2CCN(c5ccccc5)CC2)(C4)C3)n1	217501908	AAMIERAAHIMJMI-ZIIYYELXSA-N	406.534	2.626	70	40	HFIB	
CCOC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1	218102913	YZDYEVBBUQQBDF-CMKODMSKSA-N	405.541	2.944	70	40	HFIB	
Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1	218338872	ASHXETMOOIAPHN-UHFFFAOYSA-N	414.487	2.713	70	40	HFIB	
Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1Cl	216883907	YKZRLYGOTCHLTM-UHFFFAOYSA-N	421.950	2.978	70	40	HFIB	
COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	217017980	CNLZSHRQCBEIQU-UHFFFAOYSA-N	418.515	2.888	70	40	HFIB	
CCOc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1	218258278	CPGMRYUEENYMCQ-KRWDZBQOSA-N	404.532	2.989	70	40	HFIB	
Cc1ccc(C)c(N([C@@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c1	218547539	FAYBRYYBAFDEIJ-SFHVURJKSA-N	403.548	2.711	70	40	HFIB	
Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N1CCN(C)CC1	216854293	UNXDVNIMKDGBKT-UHFFFAOYSA-N	407.923	2.837	70	40	HFIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H](C)c1ccc(F)cc1	216865251	NFLJQDAWYLBDQU-INIZCTEOSA-N	419.522	2.561	70	40	HFIB	
COc1ccc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCCCc3ccccc3)[C@H]4C2=O)cc1	217709852	WXGYNYCQOCDAQB-KXEAFHOWSA-N	418.493	2.731	70	40	HFIB	
COc1c(I)cc(Br)cc1S(=O)(=O)Cl	169807084	QAMOUSZZBPTERT-UHFFFAOYSA-N	411.442	2.990	70	40	HFIB	
COc1ccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1OC	218579041	LQTMRZUKTNDJQD-UHFFFAOYSA-N	406.504	2.746	70	40	HFIB	
Cc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1	218520203	QHVVOLRTLIKKPX-UHFFFAOYSA-N	420.506	2.518	70	40	HFIB	
COc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O	218457387	JXBCCISPHDPHJV-OAHLLOKOSA-N	408.495	2.738	70	40	HFIB	
COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)/C=C/c1ccccc1	217982119	ZEESHNBIBDODQX-OFHUKCQUSA-N	405.447	2.821	70	40	HFIB	
C[C@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@H]3[C@H](C(=O)Nc4ccccc4)[C@H]4C=C[C@@]3(O4)[C@@H]12	217509894	WPBZOXULLMVBCB-VURMYAFTSA-N	418.449	2.719	70	40	HFIB	
Cc1ccccc1N(CC(=O)N(C)Cc1nc(-c2cccs2)no1)S(C)(=O)=O	218230084	QCFRDVAUKYXWCQ-UHFFFAOYSA-N	420.516	2.531	70	40	HFIB	
CN1CCC(CCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)CC1	216938854	ZVFBNKJNMWEIBB-UHFFFAOYSA-N	415.559	2.973	70	40	HFIB	
Cc1ccc(N([C@@H](C)C(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1	218361402	DFMSOBYUJRECRS-HNNXBMFYSA-N	414.487	2.516	70	40	HFIB	
CS(=O)(=O)Nc1ccccc1C(=O)NCc1nc(-c2ccccc2Cl)no1	218399463	OCMIPQTVCZXFKF-UHFFFAOYSA-N	406.851	2.692	70	40	HFIB	
COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1	216869590	RIRDEOYEWHOPSE-UHFFFAOYSA-N	423.922	2.537	70	40	HFIB	
COc1ccc(S(=O)(=O)N2CCC(N3CCC(OC)CC3)CC2)cc1Cl	217795017	OGYSTVQSPBVIPJ-UHFFFAOYSA-N	402.944	2.613	70	40	HFIB	
CCc1ccccc1N(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccccc1	216932465	REFICSDXTPZXAM-UHFFFAOYSA-N	415.559	2.655	70	40	HFIB	
COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N1CCN(C)CC1	216784364	BNFRMIFNEDVVMF-UHFFFAOYSA-N	423.922	2.537	70	40	HFIB	
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NC3CCCCCCC3)cc2)CC1	216886330	USCMVXBHWLFEJH-UHFFFAOYSA-N	407.580	2.607	70	40	HFIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCC1=CCCCC1	216862395	BGXDAYHMROFCON-UHFFFAOYSA-N	405.564	2.551	70	40	HFIB	
CN1CCC(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1	216947009	YVTHPUGMTRCWRC-UHFFFAOYSA-N	422.378	2.750	70	40	HFIB	
CN1CCC(CCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1	216944043	MPTHEIFTYDUQRG-UHFFFAOYSA-N	401.532	2.949	70	40	HFIB	
COc1ccc(CCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1	218467018	BORCNIUGNCLCLG-AWEZNQCLSA-N	410.923	2.862	70	40	HFIB	
Cc1ccc(Cl)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1	216883782	XTMKNPRXEIZSQG-UHFFFAOYSA-N	421.950	2.978	70	40	HFIB	
Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1	217696685	HVLVOEIJZXGXIA-UHFFFAOYSA-N	407.492	2.852	70	40	HFIB	
CC(C)(C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O	218322565	OKCABKVUIFWEJC-UHFFFAOYSA-N	421.494	2.759	70	40	HFIB	
Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NC2CCN(C)CC2)cc1	216938886	ZWGSENUPXKAAIT-UHFFFAOYSA-N	401.532	2.644	70	40	HFIB	
C[C@H](C(=O)N(C)Cc1nc(-c2cccs2)no1)N(c1ccccc1)S(C)(=O)=O	218292369	ADLKRTSDFQGRSY-CYBMUJFWSA-N	420.516	2.611	70	40	HFIB	
CN(C)S(=O)(=O)N(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)c1ccccc1	218418212	UQKOGSROOJIRBH-SFHVURJKSA-N	417.531	2.718	70	40	HFIB	
C[C@H](C(=O)NCCN(C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O	218476088	PFKHZNSNOWLCMG-OAHLLOKOSA-N	409.939	2.747	70	40	HFIB	
Cc1ccc(N([C@H](C)C(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1	218362741	XYWKFBCDWSLREZ-CYBMUJFWSA-N	420.516	2.577	70	40	HFIB	
CC(C)Oc1cccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1	218433048	VVUOVKYVFYKLOD-UHFFFAOYSA-N	420.487	2.650	70	40	HFIB	
CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	216854442	UKLOZQYVYLNFFH-UHFFFAOYSA-N	417.531	2.582	70	40	HFIB	
CN(CCCNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1	218252898	UEQKGHWUGQCIQG-UHFFFAOYSA-N	409.939	2.749	70	40	HFIB	
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCCCC3)c2)CC1	216877246	NFEVQCJJVLRYRB-UHFFFAOYSA-N	413.971	2.729	70	40	HFIB	
CC(C)Oc1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	218432935	XBASUUYGMCNYJQ-UHFFFAOYSA-N	420.487	2.650	70	40	HFIB	
C[C@@H](C(=O)NCCSCc1ccco1)N(c1ccc(F)cc1)S(C)(=O)=O	218449658	ASAKDQAJHFOLSP-ZDUSSCGKSA-N	400.497	2.623	70	40	HFIB	
Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c12	218125258	YECKMWXNBPKWBJ-JKSUJKDBSA-N	405.502	2.821	70	40	HFIB	
CCc1ccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1	218309375	XVSNFRUPGXEZBN-UHFFFAOYSA-N	403.548	2.658	70	40	HFIB	
CN(C)S(=O)(=O)N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccccc1	218418130	UQKOGSROOJIRBH-GOSISDBHSA-N	417.531	2.718	70	40	HFIB	
COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OC	218286925	LNXQIONMYXPVJA-MRXNPFEDSA-N	420.531	2.607	70	40	HFIB	
COc1ccc(O[C@H](C)C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)cc1	218753147	CHKAXNIHLULNSV-CYBMUJFWSA-N	413.430	2.846	70	40	HFIB	
O=C(c1cnc2ccccc2n1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217843345	PKEKQTRZFMSZJW-CQSZACIVSA-N	401.430	2.565	70	40	HFIB	
CCc1ccc(N(CC(=O)Nc2cc(C(=O)OC)ccc2C)S(C)(=O)=O)cc1	218307532	RRRNRQSJOXJUPW-UHFFFAOYSA-N	404.488	2.749	70	40	HFIB	
Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1C	216868585	AHJXPRBDMLDFDA-SFHVURJKSA-N	415.559	2.731	70	40	HFIB	
COc1ccc(-c2noc(CN(C)C(=O)COc3ccccc3OC)n2)c(OC)c1	217948529	YWFRUONWEOMKQT-UHFFFAOYSA-N	413.430	2.800	70	40	HFIB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C(=O)C[C@H]3c3ccccc32)cc1OC	217422152	NLWSWWUEYFPEIE-AEMJNJESSA-N	405.450	2.701	70	40	HFIB	
Cc1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1NS(C)(=O)=O	218591277	GTVMHZNGNKKJMV-UHFFFAOYSA-N	401.532	2.939	70	40	HFIB	
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1	218278969	KJXIBLLMNXGACC-ZFWWWQNUSA-N	402.451	2.575	70	40	HFIB	
CN1CCC(CCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1	216932167	NTBTUYWBAVDMAR-UHFFFAOYSA-N	415.559	2.730	70	40	HFIB	
O=C(NCc1ccc(OC(F)(F)F)cc1)c1cn(C[C@H](O)c2ccccc2F)nn1	217473696	NDXMFGARJLIIQA-KRWDZBQOSA-N	424.354	2.979	70	40	HFIB	
O=C(CCS(=O)(=O)c1ccccc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217812802	RLQFGYNMICRMSN-HNNXBMFYSA-N	403.504	2.592	70	40	HFIB	
COc1ccc(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	216855639	BCIJNLSAKNJLLT-UHFFFAOYSA-N	417.531	2.500	70	40	HFIB	
O=C(C(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1)c1c[nH]c2ccccc12	217842027	MOVYOSOXGVTDSX-CQSZACIVSA-N	416.441	2.672	70	40	HFIB	
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2C)cc1	216933274	NSGHZMKVFGPZEO-UHFFFAOYSA-N	415.559	2.709	70	40	HFIB	
COc1cc(OC)cc(OCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1	217010565	NJTVZQLRUIAJGI-UHFFFAOYSA-N	414.502	2.872	70	40	HFIB	
Cc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1	216869736	PAMSKRDGBXYIGK-UHFFFAOYSA-N	421.950	2.515	70	40	HFIB	
Cc1ccc(N([C@@H](C)C(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1	218362662	XYWKFBCDWSLREZ-ZDUSSCGKSA-N	420.516	2.577	70	40	HFIB	
COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl	216875563	UZFFDLFMSNUPTN-UHFFFAOYSA-N	423.922	2.537	70	40	HFIB	
COc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1	218458180	QRULHRZMNZKDHH-GJZGRUSLSA-N	424.494	2.573	70	40	HFIB	
O=C(CSc1nc2ccccc2s1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1	217732132	HHQNPZFMKAJRJV-OKILXGFUSA-N	413.524	2.550	70	40	HFIB	
Cc1ccc(-c2noc(CNC(=O)c3cccc(NS(C)(=O)=O)c3C)n2)cc1	218581566	JNKMBRWTDCGNHS-UHFFFAOYSA-N	400.460	2.655	70	40	HFIB	
CCN(c1ccc(C(=O)NCCCc2ccc(OC)c(OC)c2)cc1)S(C)(=O)=O	218780599	KQOGZBOZRJLDQU-UHFFFAOYSA-N	420.531	2.852	70	40	HFIB	
CN(Cc1ccc(OCC(=O)NCCCc2ccccc2Cl)cc1)S(C)(=O)=O	218761715	JBHOGLARGRWNTK-UHFFFAOYSA-N	424.950	2.859	70	40	HFIB	
CN1CCC(CCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1	216935700	ANACUROMRYRQHV-UHFFFAOYSA-N	422.378	2.608	70	40	HFIB	
Cn1nc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)CCO3)c2c1CCC2	217907900	VTVQFANNXKDNCO-UHFFFAOYSA-N	413.499	2.828	70	40	HFIB	
Cc1ccc(C(=O)NC2CCCCCCC2)cc1S(=O)(=O)N1CCN(C)CC1	216857613	QZKSUCNEIMRDHI-UHFFFAOYSA-N	407.580	2.774	70	40	HFIB	
Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O	218460450	OZDCPZPJXMSNKL-HZPDHXFCSA-N	408.495	2.872	70	40	HFIB	
Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c1	218761619	STUGJTICKUFTLZ-QGZVFWFLSA-N	404.532	2.951	70	40	HFIB	
Cc1cc(-c2cccs2)nn1CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	217873719	XLRFCLAAAQNYSA-UHFFFAOYSA-N	418.544	2.600	70	40	HFIB	
CN(c1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1)S(C)(=O)=O	218338446	LIRMKQIJQPMEBP-UHFFFAOYSA-N	420.878	2.716	70	40	HFIB	
COc1cccc(CCCNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1	218355869	FTWNYQZUXFVDSX-QGZVFWFLSA-N	404.532	2.907	70	40	HFIB	
COc1cccc(CCCNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1	218457589	WVYARGVZQMWAPV-OAHLLOKOSA-N	408.495	2.738	70	40	HFIB	
CCc1cccc(CC)c1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	218431186	MXDREFTXNUSMEF-UHFFFAOYSA-N	418.515	2.987	70	40	HFIB	
Cc1cccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1C	218282394	NAOBHEVQHFTPPS-UHFFFAOYSA-N	403.548	2.712	70	40	HFIB	
Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1	218546990	WUOUZQAJCWFILB-GOSISDBHSA-N	404.532	2.962	70	40	HFIB	
Cc1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	216854065	NJOZMPLQACEHOK-UHFFFAOYSA-N	401.532	2.800	70	40	HFIB	
CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1	218444607	LDSQWNFYMGCMBE-UHFFFAOYSA-N	406.489	2.514	70	40	HFIB	
O=C(CSc1nc2ccccc2s1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1	217732212	HHQNPZFMKAJRJV-KBPBESRZSA-N	413.524	2.550	70	40	HFIB	
CCOc1ccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1	218770138	LXKXYULKHNJTFU-UHFFFAOYSA-N	419.547	2.691	70	40	HFIB	
Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1C	216881596	TXYWCEHTKPAVGP-UHFFFAOYSA-N	401.532	2.633	70	40	HFIB	
CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	216857264	NEJFBNSCFKWRLY-UHFFFAOYSA-N	419.572	2.905	70	40	HFIB	
COc1ccc(OC[C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1	218238553	YQHCAQAHHMNWTA-KRWDZBQOSA-N	420.531	2.662	70	40	HFIB	
COc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	218242872	NCRHEODPMRUZQE-KRWDZBQOSA-N	420.531	2.662	70	40	HFIB	
COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1	218356297	MYWKMYGKOONCCG-DLBZAZTESA-N	420.531	2.742	70	40	HFIB	
CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1C	216842929	JXWVPRDEOJRICE-UHFFFAOYSA-N	417.531	2.582	70	40	HFIB	
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1	218012027	WTHWPOCNBRDQGW-FQEVSTJZSA-N	406.841	2.767	70	40	HFIB	
Cc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1C	218768066	ATIIHAISWRQCJM-INIZCTEOSA-N	407.511	2.933	70	40	HFIB	
COc1ccccc1-n1c(C[C@@H]2CCCN(C(=O)c3cc(C)oc3C)C2)n[nH]c1=O	217856574	MMBSSLLSFIMLJL-INIZCTEOSA-N	410.474	2.874	70	40	HFIB	
CN(CCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1	218251273	FUDKFKPZPDEVKZ-UHFFFAOYSA-N	409.939	2.749	70	40	HFIB	
COc1cccc(-c2noc(CNC(=O)c3ccc(CN4CCOCC4)cc3)n2)c1	218076543	FHHWPFJTVRJSPJ-UHFFFAOYSA-N	408.458	2.507	70	40	HFIB	
Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O	218460525	OZDCPZPJXMSNKL-JKSUJKDBSA-N	408.495	2.872	70	40	HFIB	
CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	216854409	ZCRACOOWFPIWOP-UHFFFAOYSA-N	417.531	2.582	70	40	HFIB	
CS(=O)(=O)N(CC(=O)NCCCN1CCCc2ccccc21)c1cccc(F)c1	218325037	OTYLRLUKRODXTO-UHFFFAOYSA-N	419.522	2.551	70	40	HFIB	
COC(=O)c1sccc1S(=O)(=O)NC[C@@](C)(O)c1cc2ccccc2s1	217513948	AUNZYYBZKQLWAQ-QGZVFWFLSA-N	411.526	2.935	70	40	HFIB	
Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c(C)c1	216881416	OAQLZMWZRNFOFS-UHFFFAOYSA-N	401.532	2.633	70	40	HFIB	
COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1	218277001	QCVXSAMTTWPQOO-IRXDYDNUSA-N	420.531	2.742	70	40	HFIB	
Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1	218376219	NPVLDIFFDBNJTG-GOSISDBHSA-N	404.532	2.962	70	40	HFIB	
Cc1cccc(-c2noc(CN(C)C(=O)c3cccc(NS(C)(=O)=O)c3)n2)c1	218570577	ZXBOILBTELEFCB-UHFFFAOYSA-N	400.460	2.689	70	40	HFIB	
C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1	216868894	HMYUPBCVAZKAAA-HNNXBMFYSA-N	421.950	2.767	70	40	HFIB	
O=C(COc1ccc(Cl)cc1Cl)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1	217732926	XJYCMYDUUPASFW-OKILXGFUSA-N	409.269	2.534	70	40	HFIB	
COC(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)c2cc3ccccc3s2)cc1	217519920	DDJYTGBNAQUBLR-NRFANRHFSA-N	412.467	2.650	70	40	HFIB	
COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(Cn2ccnc2)cc1	217958270	NCOZWMOBAAANPD-UYAOXDASSA-N	423.444	2.906	70	40	HFIB	
COC[C@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218174337	GSBURYVQEOYAKB-HBFSDRIKSA-N	419.524	2.582	70	40	HFIB	
Cc1ccc(-c2noc(CNC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)n2)cc1	218599326	HYNJQDICIRWDIX-UHFFFAOYSA-N	400.460	2.655	70	40	HFIB	
CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2Cl)CC1	216870010	SRCDUZVDDKFDED-UHFFFAOYSA-N	411.886	2.668	70	40	HFIB	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cc(C)cc(C)c1	216787085	CXNWLOFSJTVKDE-UHFFFAOYSA-N	417.531	2.500	70	40	HFIB	
Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)N1CCN(C)CC1	216854831	CMJJNKDFZURKGK-UHFFFAOYSA-N	401.532	2.800	70	40	HFIB	
Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	216869112	BMHUVAGNQFUJCJ-UHFFFAOYSA-N	407.923	2.837	70	40	HFIB	
CN(c1ccccc1C(=O)NCCCN1CCCc2ccccc21)S(C)(=O)=O	218346387	LUGJPWKUGLFEEM-UHFFFAOYSA-N	401.532	2.655	70	40	HFIB	
CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)CC1	216870051	DEFRGXAJMMYETD-UHFFFAOYSA-N	411.886	2.668	70	40	HFIB	
Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(C)c(NS(C)(=O)=O)c3)n2)cc1	218590595	MMBZFNKZDPTYDF-UHFFFAOYSA-N	414.487	2.997	70	40	HFIB	
Cc1ccc(-c2noc(CNC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)n2)cc1	218290601	BDHQSMBOROAJQG-HNNXBMFYSA-N	414.487	2.516	70	40	HFIB	
CN(c1ccccc1C(=O)Nc1ccccc1C(N)=O)S(=O)(=O)c1ccccc1	218346703	OYGQTQLQEVYYEX-UHFFFAOYSA-N	409.467	2.863	70	40	HFIB	
C[C@H](C(=O)NCCCN1CCCc2ccccc21)N(c1ccccc1)S(C)(=O)=O	218292951	BALORUCJXSWZQT-GOSISDBHSA-N	415.559	2.800	70	40	HFIB	
Cc1cccc(-c2noc(CN(C)C(=O)c3ccccc3NS(C)(=O)=O)n2)c1	218399849	ANILNWFITZUHDN-UHFFFAOYSA-N	400.460	2.689	70	40	HFIB	
Cc1ccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)n2)cc1	218290539	BDHQSMBOROAJQG-OAHLLOKOSA-N	414.487	2.516	70	40	HFIB	
Cc1ccc(N([C@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1	218364027	ZBFDWVKMHQTFPP-GOSISDBHSA-N	403.548	2.792	70	40	HFIB	
COc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1	218274085	RNZXPJWAZXZDIG-OAHLLOKOSA-N	406.504	2.517	70	40	HFIB	
CC[C@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(S(C)(=O)=O)cc1	218589484	QAELGZOEZIIMTN-KRWDZBQOSA-N	424.544	2.651	70	40	HFIB	
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2cccc(C)c2)cc1	216933341	JNXDZDVPLDZTSI-UHFFFAOYSA-N	415.559	2.709	70	40	HFIB	
COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc4c(c3)OCO4)n2)c(OC)c1	217932155	IKGNAWUXTBZCFY-XBXARRHUSA-N	409.398	2.812	70	40	HFIB	
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)CC1	216881847	ZERFPLLVZSIDQM-UHFFFAOYSA-N	407.923	2.670	70	40	HFIB	
CN1CCN(c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(Cl)c3)cc2)CC1	217022693	AWBKMIZHBJRKLJ-UHFFFAOYSA-N	422.938	2.716	70	40	HFIB	
Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCN(C)CC1	216855150	KBMLJEQLQVRELX-UHFFFAOYSA-N	421.950	2.515	70	40	HFIB	
Cc1cc(S(=O)(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)c(Cl)cc1Cl	217789172	BYCUPWBLAJGCTH-SECBINFHSA-N	409.316	2.760	70	40	HFIB	
Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1	218384180	JXVWKQRWRJCYGL-HNNXBMFYSA-N	410.923	2.998	70	40	HFIB	
O=C(c1ccc2nsnc2c1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217844303	AEGFIYQVCSQJIS-GFCCVEGCSA-N	407.459	2.626	70	40	HFIB	
COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	216869517	KAXDTMUNUDIWLI-UHFFFAOYSA-N	423.922	2.537	70	40	HFIB	
COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(F)cc1C	217984174	SZDMMUFNSCUWHL-GDBMZVCRSA-N	411.426	2.657	70	40	HFIB	
CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	216854867	BSXKKGDQQYDFGI-UHFFFAOYSA-N	401.532	2.746	70	40	HFIB	
O=C1[C@H]2[C@H]3C=C[C@H]([C@@H]4C(=O)N(C5CCCCC5)C(=O)[C@@H]43)[C@H]2C(=O)N1C1CCCCC1	217492241	MCOZDZJHNKOQRG-XAWFRAJHSA-N	410.514	2.670	70	40	HFIB	
COc1ccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCOCC4)cc3)n2)cc1	218077327	LQEYLUPNIBSVEK-UHFFFAOYSA-N	422.485	2.850	70	40	HFIB	
Cc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	216869770	AKJDFEFPGOXHKG-UHFFFAOYSA-N	421.950	2.515	70	40	HFIB	
CN(c1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1)S(C)(=O)=O	218339819	UODPQHNSUSBKLQ-UHFFFAOYSA-N	401.532	2.655	70	40	HFIB	
Cc1cccc(-c2noc(CNC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)n2)c1	218599229	LBNWHMYZZVUYDW-UHFFFAOYSA-N	400.460	2.655	70	40	HFIB	
Cc1cccc(C)c1N(CC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O	218273682	TYCALHDTGYAVLB-UHFFFAOYSA-N	403.548	2.712	70	40	HFIB	
CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)c1ccc(S(C)(=O)=O)cc1	218598999	DUPFQKYLDUJFJG-KRWDZBQOSA-N	424.544	2.651	70	40	HFIB	
O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)N1C1CCCCC1)[C@H]1C(=O)N(C2CCCCC2)C(=O)[C@@H]31	217492330	MCOZDZJHNKOQRG-DWIKVQACSA-N	410.514	2.670	70	40	HFIB	
CN1CCC(CCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1	216937665	KFFQTWHZQDNZEO-UHFFFAOYSA-N	422.378	2.608	70	40	HFIB	
Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)n2)c1	218338764	YQOFPGMRHIEPEI-UHFFFAOYSA-N	414.487	2.713	70	40	HFIB	
CN1CCN(S(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2Cl)CC1	216873078	HIIMLHLRMJLCPB-UHFFFAOYSA-N	413.971	2.681	70	40	HFIB	
CN1CCC(CCNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1	217036097	ZSAKWOIMYFECMC-UHFFFAOYSA-N	415.987	2.734	70	40	HFIB	
CCOC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1	218102838	YZDYEVBBUQQBDF-BJLQDIEVSA-N	405.541	2.944	70	40	HFIB	
CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	216858526	YRYQTZHAEZMFRA-UHFFFAOYSA-N	417.531	2.582	70	40	HFIB	
O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@@H]1COc2ccccc2O1	218301384	OMOSPLLHAXRTDA-HNNXBMFYSA-N	416.231	2.955	70	40	HFIB	
C[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O	218465242	IHJPYFQGUANFTA-MRXNPFEDSA-N	407.511	2.623	70	40	HFIB	
Cc1ccc(-c2noc(CN(C)C(=O)c3ccccc3NS(C)(=O)=O)n2)cc1	218399946	TWMKFACNRZHIRQ-UHFFFAOYSA-N	400.460	2.689	70	40	HFIB	
COC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc2c(c1)OCO2	218174518	GSBURYVQEOYAKB-BJLQDIEVSA-N	419.524	2.582	70	40	HFIB	
O=S(=O)(c1cccnc1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1	217803162	XOGNTBAXOIKYBE-CQSZACIVSA-N	402.451	2.914	70	40	HFIB	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc(Cl)c1	216787398	NNUNVJZQFDKKHR-UHFFFAOYSA-N	423.922	2.537	70	40	HFIB	
COc1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1OC	217496518	WEKCKIOCRGFOHR-LBPRGKRZSA-N	421.393	2.614	70	40	HFIB	
COc1cccc2cc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)oc12	218614362	YFTNAENNSSBGPB-UHFFFAOYSA-N	400.456	2.895	70	40	HFIB	
COc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1	216875328	ZWPWZPMWPKHQCS-UHFFFAOYSA-N	423.922	2.537	70	40	HFIB	
COc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1OC	216941523	MYLWMMSPJUCAGP-UHFFFAOYSA-N	420.531	2.655	70	40	HFIB	
O=C(/C=C\c1ccc2c(c1)OCO2)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217840333	JJGHKRSYZDNJEZ-DQOPKJQZSA-N	419.441	2.750	70	40	HFIB	
Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(NS(C)(=O)=O)c(C)c3)n2)cc1	218600217	GRPBAOHSOVSCQD-UHFFFAOYSA-N	414.487	2.997	70	40	HFIB	
COc1ccc([C@H](O)CNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1OC	217496431	WEKCKIOCRGFOHR-GFCCVEGCSA-N	421.393	2.614	70	40	HFIB	
CC[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1	218337397	FWOGMWVOGOJOCO-KRWDZBQOSA-N	406.504	2.981	70	40	HFIB	
COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	218242825	NCRHEODPMRUZQE-QGZVFWFLSA-N	420.531	2.662	70	40	HFIB	
CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1	218443975	IKJVUXKYEYAIJD-UHFFFAOYSA-N	414.487	2.761	70	40	HFIB	
CC[C@H](C(=O)NCCC1CCN(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O	217016238	AVNBOVPNAQJPCI-GOSISDBHSA-N	415.987	2.733	70	40	HFIB	
Cc1ccc(OCCNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1	218547060	WUOUZQAJCWFILB-SFHVURJKSA-N	404.532	2.962	70	40	HFIB	
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1	216861116	IMIJDECFQVLUQM-UHFFFAOYSA-N	417.531	2.582	70	40	HFIB	
Cc1cc(C)cc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1	216881530	QXAOWDIQINNCTB-UHFFFAOYSA-N	401.532	2.633	70	40	HFIB	
Cc1ccc(C)c(N(CCCC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)c1	216946981	VWNCQXVJSRUGTM-UHFFFAOYSA-N	409.596	2.698	70	40	HFIB	
Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O	218460600	OZDCPZPJXMSNKL-CVEARBPZSA-N	408.495	2.872	70	40	HFIB	
Cc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	218367057	ZKHRYAFTOFBGPT-GOSISDBHSA-N	404.532	2.962	70	40	HFIB	
CCOc1ccc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OCC	218283878	VQBNSXVHGUGPDQ-INIZCTEOSA-N	420.531	2.955	70	40	HFIB	
COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(Cn2ccnc2)cc1	217958025	NCOZWMOBAAANPD-ICSRJNTNSA-N	423.444	2.906	70	40	HFIB	
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1	218012100	WTHWPOCNBRDQGW-HXUWFJFHSA-N	406.841	2.767	70	40	HFIB	
CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C)c1ccccc1	216865399	AYBUSXJOTUTNPN-NRFANRHFSA-N	415.559	2.812	70	40	HFIB	
CC[C@@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(OC)c(OC)c1	218344071	UVSAFTNEXBJGJX-MRXNPFEDSA-N	406.504	2.981	70	40	HFIB	
COc1ccc(CCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1	218466949	BORCNIUGNCLCLG-CQSZACIVSA-N	410.923	2.862	70	40	HFIB	
CN1CCC(CCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)CC1	216939077	JLQVDLLJTDREMU-UHFFFAOYSA-N	422.378	2.608	70	40	HFIB	
CC[C@H](C(=O)NCCC1CCN(C)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	217016663	OXWMOCGLYUIJNI-HXUWFJFHSA-N	409.596	2.696	70	40	HFIB	
CCOc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1	218294973	DKZPBDWNPLIQBA-KRWDZBQOSA-N	420.531	2.743	70	40	HFIB	
CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](C)COc2ccc(OC)cc2)cc1	218440113	GBXMWEZOPWBNQO-OAHLLOKOSA-N	406.504	2.678	70	40	HFIB	
C[C@H](C(=O)NCCN(C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	218384361	GQWXZVHOMNMEHL-OAHLLOKOSA-N	409.939	2.747	70	40	HFIB	
CCN(c1ccc(C(=O)N[C@@H](C)COc2ccc(OC)cc2)cc1)S(C)(=O)=O	218778152	PMIOOTGODDSMMI-HNNXBMFYSA-N	406.504	2.678	70	40	HFIB	
Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1	216875955	BWFLBDPYNRUGCQ-UHFFFAOYSA-N	421.950	2.515	70	40	HFIB	
COC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	78097208	RCWXVVSPWNKHBK-NSHDSACASA-N	413.370	2.654	70	40	HFIB	
Cc1cc(OC2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc(=O)n1C	217778932	CEYOKAPWTPOZTR-UHFFFAOYSA-N	416.543	2.805	70	40	HFIB	
COc1cc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)ccc1OC(C)C	218284029	DFHHYWGVJAXCSG-INIZCTEOSA-N	420.531	2.953	70	40	HFIB	
O=C([C@H](c1ccccc1)n1cnnn1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21	218120703	DBNXODGUIPCCQD-SPHOGXRMSA-N	418.545	2.684	70	40	HFIB	
COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1	218458011	QRULHRZMNZKDHH-LSDHHAIUSA-N	424.494	2.573	70	40	HFIB	
CC(C)CNC(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1	217812803	ZXXPBHIZOCGVLI-FUHWJXTLSA-N	408.502	2.885	70	40	HFIB	
CN(CCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccccc1	218249869	WWEOGHDBIHPXHP-UHFFFAOYSA-N	409.939	2.749	70	40	HFIB	
CCN(c1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1)S(C)(=O)=O	218783322	GAXNQYFHDZRKHX-UHFFFAOYSA-N	414.487	2.761	70	40	HFIB	
Cc1cc(C)c(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c(C)c1	216884748	CEASJNNQNSWJIW-UHFFFAOYSA-N	415.559	2.941	70	40	HFIB	
Cc1cc(C)c(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(C)c1	218431071	SGDXSROBEDLMME-UHFFFAOYSA-N	404.488	2.788	70	40	HFIB	
Cc1ccc(N([C@H](C)C(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1	218361494	DFMSOBYUJRECRS-OAHLLOKOSA-N	414.487	2.516	70	40	HFIB	
COc1ccc(NC(=O)CC2CCN(C)CC2)cc1S(=O)(=O)N1CCCCC1	216898047	RLVXFONOPRPTDI-UHFFFAOYSA-N	409.552	2.540	70	40	HFIB	
C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl)c1ccccc1	216874187	XAIUPOIHDHKNML-OAHLLOKOSA-N	421.950	2.767	70	40	HFIB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC1CCN(C)CC1	216944959	MJJAWSPDGUJILG-UHFFFAOYSA-N	407.580	2.631	70	40	HFIB	
CCc1ccc(N(CC(=O)N[C@@H](C)COc2ccc(OC)cc2)S(C)(=O)=O)cc1	218307979	RINAFFYNAHDOSG-INIZCTEOSA-N	420.531	2.607	70	40	HFIB	
CC(C)C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)N1Cc2ccccc2C1=O	218010163	YRVWEQQORGEBHY-KPLVRAHFSA-N	419.525	2.865	70	40	HFIB	
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2ccccc2)N2CCC[C@H]32)cc1	217589026	GRQHNJFGNPBKRZ-XRXFAXGQSA-N	402.450	2.724	70	40	HFIB	
COC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1	218114312	BWTFIKOPMRIFHW-CMKODMSKSA-N	405.541	2.862	70	40	HFIB	
O=S(=O)(NCCn1ccnc1-c1ccccn1)c1ccccc1Br	217865802	CNYWFKSEBVLAKN-UHFFFAOYSA-N	407.293	2.686	70	40	HFIB	
Cc1ccc(N(CC(=O)N(C)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1	218235445	QZLWBQYYGLEDFD-UHFFFAOYSA-N	420.516	2.531	70	40	HFIB	
CN1CCC(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)CC1	217021704	LXSHWBZXOQBJFI-UHFFFAOYSA-N	407.923	2.965	70	40	HFIB	
COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)/C=C/c1ccccc1	217981954	ZEESHNBIBDODQX-XBOKISCZSA-N	405.447	2.821	70	40	HFIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1CCCCCCC1	216863771	YRGCJTJYNUSUNZ-UHFFFAOYSA-N	407.580	2.774	70	40	HFIB	
CC[C@H](C(=O)NCCC1CCN(C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O	217015902	NHOHQLHFJBFCPV-GOSISDBHSA-N	415.987	2.733	70	40	HFIB	
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CC1	216881913	YDBUQEVFBLDXPQ-UHFFFAOYSA-N	407.923	2.670	70	40	HFIB	
Cc1ccc(-c2noc(CN(C)C(=O)c3cccc(NS(C)(=O)=O)c3)n2)cc1	218570675	DLEQTJSRZFNFDB-UHFFFAOYSA-N	400.460	2.689	70	40	HFIB	
Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)c[nH]2)CC1	217696799	CQGQNOFTSJWUDR-UHFFFAOYSA-N	416.478	2.633	70	40	HFIB	
COc1ccc(C(=O)NCCc2cc(OC)c(OC)cc2S(=O)(=O)Cl)cc1	100027014	UFABWFOTXWUKDS-UHFFFAOYSA-N	413.879	2.612	70	40	HFIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc(C)c1C	216861449	HLAKXPQBIDDVBT-UHFFFAOYSA-N	401.532	2.800	70	40	HFIB	
O=C(Cn1ncc2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21	218032767	LBGKSLBUGGDVDR-MNHFLQJXSA-N	418.541	2.818	70	40	HFIB	
CCc1ccccc1N(CC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O	218247001	ABXIPUUJJIZGNC-UHFFFAOYSA-N	403.548	2.658	70	40	HFIB	
Cc1cc(C)cc(N([C@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c1	218376803	QRYSNFPCXVTSSO-GOSISDBHSA-N	403.548	2.711	70	40	HFIB	
COc1cc(CNC(=O)c2ccccc2N(C)S(C)(=O)=O)ccc1OC(C)C	218340736	HLLUKFIBGFQMGY-UHFFFAOYSA-N	406.504	2.808	70	40	HFIB	
CCOc1ccc(N([C@H](C)C(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1	218295041	DKZPBDWNPLIQBA-QGZVFWFLSA-N	420.531	2.743	70	40	HFIB	
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1	216881788	JBTDBELLVQAYCT-UHFFFAOYSA-N	407.923	2.670	70	40	HFIB	
Cc1ccc(OCCNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1	218376288	NPVLDIFFDBNJTG-SFHVURJKSA-N	404.532	2.962	70	40	HFIB	
COc1cccc(CCCNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1	218457664	WVYARGVZQMWAPV-HNNXBMFYSA-N	408.495	2.738	70	40	HFIB	
Cc1ccc(-c2noc(CN(C)C(=O)c3cccc(NS(C)(=O)=O)c3C)n2)cc1	218582429	RGKWGBNKVQTCGV-UHFFFAOYSA-N	414.487	2.997	70	40	HFIB	
Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c(C)c1	216796665	BFAYUBDASUBBAV-UHFFFAOYSA-N	401.532	2.800	70	40	HFIB	
Cn1cc(S(=O)(=O)Nc2nc3ccccc3nc2NCCc2cccs2)cn1	217976304	LWOLZXZOODNPPW-UHFFFAOYSA-N	414.516	2.880	70	40	HFIB	
CCOC[C@@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1	218102759	YZDYEVBBUQQBDF-WSTZPKSXSA-N	405.541	2.944	70	40	HFIB	
Cc1ccccc1N(CC(=O)NCCCN1CCCc2ccccc21)S(C)(=O)=O	218230392	ZHDHXNSLIBXEEF-UHFFFAOYSA-N	415.559	2.720	70	40	HFIB	
COc1ccc(OC[C@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1	218272195	FVVUDMPFGGQVPI-KRWDZBQOSA-N	420.531	2.662	70	40	HFIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN1C(=O)c2ccccc2S1(=O)=O	218328057	LJLOLUGCDATJHA-MRXNPFEDSA-N	414.483	2.558	70	40	HFIB	
O=S(=O)(NCCn1ccnc1-c1ccccn1)c1ccccc1OC(F)(F)F	217865295	TZICDWRHJDIYJL-UHFFFAOYSA-N	412.393	2.822	70	40	HFIB	
Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1C	216854142	QIJAIVMLVDYWJL-UHFFFAOYSA-N	401.532	2.800	70	40	HFIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21	218754575	GOTUPGWDTQLKJI-FQEVSTJZSA-N	418.515	2.692	70	40	HFIB	
CN(C)S(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1ccccc1	218416703	BQRDPLVPCOTGTP-UHFFFAOYSA-N	409.939	2.702	70	40	HFIB	
COc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)[nH]n2)cc1OC	217987555	LKPHQANQHCIRMC-GOEBONIOSA-N	420.469	2.515	70	40	HFIB	
COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1	218457933	QRULHRZMNZKDHH-HUUCEWRRSA-N	424.494	2.573	70	40	HFIB	
COc1ccc2c(c1)CCc1c(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)n[nH]c1-2	217952117	SNRYBEQUNMRPHT-GOEBONIOSA-N	416.481	2.605	70	40	HFIB	
O=[N+]([O-])c1ccc(S(=O)(=O)n2cc(S(=O)(=O)Cl)c3ccccc32)cc1	100968250	VECRQCKKDMPWMQ-UHFFFAOYSA-N	400.821	2.714	70	40	HFIB	
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1	216865133	WJRNKMSXDIPZAY-GOSISDBHSA-N	415.559	2.731	70	40	HFIB	
COc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1C	216938548	VMKQUYCYGQLKOO-UHFFFAOYSA-N	404.532	2.955	70	40	HFIB	
CN1CCN(S(=O)(=O)c2cc(C(=O)N3CCCC(C)(C)C3)ccc2Cl)CC1	216872435	JNDRCSXZHJQMKR-UHFFFAOYSA-N	413.971	2.538	70	40	HFIB	
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1Cl	216796371	OTVGPMHVDIMWQM-UHFFFAOYSA-N	423.922	2.537	70	40	HFIB	
C[C@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@H](C(=O)Nc4ccccc4)[C@H]4C=C[C@@]3(O4)[C@@H]12	217509791	WPBZOXULLMVBCB-YENZSVKPSA-N	418.449	2.719	70	40	HFIB	
COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(=O)c2ccccc2o1	217892510	VBNYBXZFXQOQCW-CJNGLKHVSA-N	411.385	2.767	70	40	HFIB	
COc1ccc(N([C@@H](C)C(=O)NCCCc2ccccc2OC)S(C)(=O)=O)cc1	218275031	GGMOARPWSQNCBT-INIZCTEOSA-N	420.531	2.607	70	40	HFIB	
Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(NS(C)(=O)=O)c(C)c3)n2)c1	218600100	MLDXYCBCDPPFTH-UHFFFAOYSA-N	414.487	2.997	70	40	HFIB	
Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCN(C)CC1	216854324	FULGRFRSFLSYQV-UHFFFAOYSA-N	407.923	2.837	70	40	HFIB	
CC[C@@H](C(=O)NCCC1CCN(C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O	217015864	NHOHQLHFJBFCPV-SFHVURJKSA-N	415.987	2.733	70	40	HFIB	
Cc1ccc(C(=O)NCCC2CCN(C)CC2)cc1S(=O)(=O)N1CCCCC1	216942682	JBAJFRUNSMCZAR-UHFFFAOYSA-N	407.580	2.631	70	40	HFIB	
COc1ccc(OC[C@@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1	218280925	CPYGUIHJCLHMPH-MRXNPFEDSA-N	420.531	2.662	70	40	HFIB	
CCc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1	218307361	NBKOZCUMNOLDTG-UHFFFAOYSA-N	419.522	2.503	70	40	HFIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(NS(C)(=O)=O)c1	218571366	QRJWZCODUIKGBZ-UHFFFAOYSA-N	406.489	2.832	70	40	HFIB	
CN1CCC(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)CC1	217022294	GCVMXWYUTFYFGI-UHFFFAOYSA-N	407.923	2.965	70	40	HFIB	
Cc1cc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)ccc1NS(C)(=O)=O	218599822	FQWHXBWJVHFFHJ-UHFFFAOYSA-N	420.878	3.000	70	40	HFIB	
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccccc3)c2)CC1	216874293	NAFHCUSJRGNEPA-UHFFFAOYSA-N	421.950	2.548	70	40	HFIB	
Cc1cccc(N(CC(=O)N(C)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)c1	218232722	PQTACZRCEIRHRB-UHFFFAOYSA-N	420.516	2.531	70	40	HFIB	
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)c3ccccc3)c2)CC1	216879735	SZGCLEYXFWOQBB-UHFFFAOYSA-N	407.923	2.553	70	40	HFIB	
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCC(C)(C)C3)c2)CC1	216880265	LZOKDWJJLVNYLZ-UHFFFAOYSA-N	413.971	2.538	70	40	HFIB	
O=C(C(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1)c1c[nH]c2ccccc12	217842107	MOVYOSOXGVTDSX-AWEZNQCLSA-N	416.441	2.672	70	40	HFIB	
Cc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1NS(C)(=O)=O	218590195	ZGQVQOPKVHAAOY-UHFFFAOYSA-N	420.878	3.000	70	40	HFIB	
CC(C)Oc1cccc(CNC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c1	218761556	OSUCFPNQCAQKMG-UHFFFAOYSA-N	420.531	2.560	70	40	HFIB	
Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1C	216868558	AHJXPRBDMLDFDA-GOSISDBHSA-N	415.559	2.731	70	40	HFIB	
CCS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1	218643306	CJBNVKGESYFDCV-UHFFFAOYSA-N	400.460	2.737	70	40	HFIB	
CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnn(CC3CCOCC3)c2)cc1	218222371	UXEJQTANAJCLAL-UHFFFAOYSA-N	405.520	2.673	70	40	HFIB	
CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1	216861472	RHTDRHYOWQCBRF-UHFFFAOYSA-N	401.532	2.746	70	40	HFIB	
COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(Cn2ccnc2)cc1	217958191	NCOZWMOBAAANPD-QUCCMNQESA-N	423.444	2.906	70	40	HFIB	
CCOc1ccc(S(=O)(=O)Cl)cc1-c1nc2c(C(C)(C)C)nn(C)c2c(=O)[nH]1	68569482	HJSBORULDHDTFY-UHFFFAOYSA-N	424.910	2.947	70	40	HFIB	
Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1	218460946	VQEDXBLMJXGHTH-CVEARBPZSA-N	408.495	2.872	70	40	HFIB	
Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl	216874551	RKUPWMVXILUTHM-UHFFFAOYSA-N	407.923	2.837	70	40	HFIB	
CN1CCC(Oc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1	216941560	WRYJNUSJHILWAX-UHFFFAOYSA-N	404.488	2.732	70	40	HFIB	
COc1ccc(N([C@@H](C)C(=O)NCCCc2cccc(OC)c2)S(C)(=O)=O)cc1	218275179	XTJQDSBSHHKKOX-INIZCTEOSA-N	420.531	2.607	70	40	HFIB	
CS(=O)(=O)Nc1cccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1	218570385	RRJIXTBYTAFMHV-UHFFFAOYSA-N	406.851	2.692	70	40	HFIB	
CC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccccc1	216888751	AQICGNYYPFSHLB-NRFANRHFSA-N	415.559	2.645	70	40	HFIB	
CN1CCC(Oc2ccc(NC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)CC1	216943945	IYYFFVHKVWOMFA-UHFFFAOYSA-N	403.504	2.783	70	40	HFIB	
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1C	216860773	BAIXQMDPHLSRLD-UHFFFAOYSA-N	401.532	2.800	70	40	HFIB	
CC(=O)Nc1ccc(S(=O)(=O)NCCn2ccc(-c3ccsc3)n2)c(C)c1	217893786	HRIXMRKUZOWINL-UHFFFAOYSA-N	404.517	2.857	70	40	HFIB	
Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1	218460868	VQEDXBLMJXGHTH-JKSUJKDBSA-N	408.495	2.872	70	40	HFIB	
COC[C@@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218174420	GSBURYVQEOYAKB-WSTZPKSXSA-N	419.524	2.582	70	40	HFIB	
CCN(c1ccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1)S(C)(=O)=O	218783219	FDOLTUNMUDIWGU-UHFFFAOYSA-N	414.487	2.761	70	40	HFIB	
Cc1ccc(C(=O)NCCN(C)c2ccccc2)cc1S(=O)(=O)N1CCCC1	218511603	OLRWHIXMCVKSPN-UHFFFAOYSA-N	401.532	2.646	70	40	HFIB	
Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1	216874605	YEMCDXFUGQBJHC-UHFFFAOYSA-N	407.923	2.837	70	40	HFIB	
CC[C@@H](C(=O)NCCC1CCN(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O	217016190	AVNBOVPNAQJPCI-SFHVURJKSA-N	415.987	2.733	70	40	HFIB	
COC[C@@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218114147	BWTFIKOPMRIFHW-WSTZPKSXSA-N	405.541	2.862	70	40	HFIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)CN(c1ccccc1)S(C)(=O)=O	218227658	VTUAAWPSWYDSRJ-UHFFFAOYSA-N	420.516	2.613	70	40	HFIB	
COc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)c(OC)c1	218259512	AZYNDKNUJPFADT-INIZCTEOSA-N	420.531	2.607	70	40	HFIB	
Cc1cccc(-c2noc(CNC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)n2)c1	218290433	DAWPXTAPAIIKEX-HNNXBMFYSA-N	414.487	2.516	70	40	HFIB	
O=C(C(c1ccccc1)c1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1	217612004	SUBGOCBXCBGZPC-UHFFFAOYSA-N	400.482	2.988	70	40	HFIB	
Cc1ccc(N([C@@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1C	218367618	OFQANOZXVYJRPH-SFHVURJKSA-N	403.548	2.711	70	40	HFIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN1C(=O)c2ccccc2S1(=O)=O	218327996	LJLOLUGCDATJHA-INIZCTEOSA-N	414.483	2.558	70	40	HFIB	
COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1	218356228	MYWKMYGKOONCCG-IAGOWNOFSA-N	420.531	2.742	70	40	HFIB