smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(CCCCC(=O)Nc1ccc(S(=O)(=O)F)cc1)Nc1ccc(S(=O)(=O)F)cc1	865204574	ZEJMGWJPROAOHG-UHFFFAOYSA-N	460.480	3.141	70	20	JGID	
O=C(CN1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1)Nc1ccccc1Cl	217096138	YTLFRHQHYWTZHU-UHFFFAOYSA-N	457.930	3.093	70	20	JGID	
CC[C@H](C)[C@@H](NC(=O)c1cc(Br)ccc1I)C(=O)OC	217431238	WJFZHCNQEHHHLT-QPUJVOFHSA-N	454.102	3.371	70	20	JGID	
O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N(CCO)Cc1ccccc1	216632418	CEDQFRJUYZDJKV-UHFFFAOYSA-N	452.576	3.262	70	20	JGID	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C	217012525	OKFDTTPHLVWTIX-UHFFFAOYSA-N	465.513	3.337	70	20	JGID	
O=C(Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(S(=O)(=O)F)cc1	865209782	GUCGMTKPLJIBHM-UHFFFAOYSA-N	468.462	3.272	70	20	JGID	
COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944219	UVOQHXAIKDCCDL-UHFFFAOYSA-N	464.496	3.407	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCSCC2)cc1	848944605	RATMRYHGKAYVNU-UHFFFAOYSA-N	450.966	3.352	70	20	JGID	
O=C(Nc1cc2c(cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)OCCO2)c1cccs1	848945657	XNXYUGOVDWMWRT-UHFFFAOYSA-N	498.535	3.231	70	20	JGID	
O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(CN2CCOCC2)cc1	216877290	XMPNXZAMWFHWFB-UHFFFAOYSA-N	452.580	3.198	70	20	JGID	
CCN(CC)C(=O)COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1Cl	848944492	LPLIPFICBMIKHA-UHFFFAOYSA-N	478.951	3.046	70	20	JGID	
O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(S(=O)(=O)F)cc1	865203819	ABHZZVHEBYMLJD-UHFFFAOYSA-N	469.288	3.122	70	20	JGID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(Cc2cc(Br)ccc2F)CC1	865210782	OMSZUURENHLGOH-UHFFFAOYSA-N	459.312	3.204	70	20	JGID	
O=C(N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc(S(=O)(=O)F)c1	1340088477	QKHKWUCPCHSFOA-KRWDZBQOSA-N	458.433	3.285	70	20	JGID	
Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)C1CCCC1	848946332	ZLMMPIPXDREZCG-UHFFFAOYSA-N	461.558	3.170	70	20	JGID	
CCN(Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1)C(=O)C(F)(F)F	848944349	FLUAHEJLKCCTLS-UHFFFAOYSA-N	468.450	3.056	70	20	JGID	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(S(=O)(=O)F)c2)c1	1336922418	TVUOOEUYVBFGTH-UHFFFAOYSA-N	483.587	3.228	70	20	JGID	
Cc1cc(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)n(-c2ccc(F)cc2)n1	217565296	XCIFLOLBHHTDHS-UHFFFAOYSA-N	484.557	3.028	70	20	JGID	
CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cnc4sccn4c3=O)n2)cc1	217054679	WPSMVGKXIDPPBI-UHFFFAOYSA-N	453.549	3.201	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1	865203839	ATOZNTRFSNVVEU-HNNXBMFYSA-N	451.545	3.235	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(Br)n2)cc1	848948053	ZEVUONIPGLMJJS-UHFFFAOYSA-N	463.228	3.322	70	20	JGID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1	1262732451	IBFDVHBRNXVGSH-UHFFFAOYSA-N	461.393	3.234	70	20	JGID	
Cc1cc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)n(-c2cccc(C(F)(F)F)c2)n1	217924873	FQYUANLOVMHWNC-UHFFFAOYSA-N	483.450	3.210	70	20	JGID	
CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)c(F)c1	848946528	LSLNHRKBBLUWQK-UHFFFAOYSA-N	473.504	3.367	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)cc1	848944347	FJHSIFYXUSQWTC-UHFFFAOYSA-N	450.517	3.131	70	20	JGID	
O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1	865209904	KKXFATGXBQTIEI-UHFFFAOYSA-N	475.325	3.015	70	20	JGID	
O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1336961869	PTYGKQCYPDQGGQ-UHFFFAOYSA-N	467.276	3.335	70	20	JGID	
O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc(S(=O)(=O)F)c1	1340088478	QKHKWUCPCHSFOA-QGZVFWFLSA-N	458.433	3.285	70	20	JGID	
C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1	218759606	DGDPTSJPTCPYBY-GFCCVEGCSA-N	461.893	3.091	70	20	JGID	
Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1I	848944172	PGLSJQQNJZRCFF-UHFFFAOYSA-N	455.270	3.059	70	20	JGID	
CC(=O)N[C@H](CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Br)cc1	216767825	URESHVCHMVHZHS-FGZHOGPDSA-N	492.389	3.345	70	20	JGID	
CC[C@H](C)[C@H](NC(=O)c1cc(Br)ccc1I)C(=O)OC	217431397	WJFZHCNQEHHHLT-UFBFGSQYSA-N	454.102	3.371	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1	848949002	PZFZGUGWIHPYNK-CYBMUJFWSA-N	456.542	3.329	70	20	JGID	
COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1cccc(S(=O)(=O)F)c1	1338956904	CBAAFLCYEDUFQZ-KRWDZBQOSA-N	483.315	3.103	70	20	JGID	
Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n(-c2ccc(F)cc2)n1	217367246	BAUSFLRTMFXWAQ-INIZCTEOSA-N	460.506	3.498	70	20	JGID	
CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1	218759806	CAVOTPYVRUSQFW-IRXDYDNUSA-N	465.566	3.099	70	20	JGID	
COC(=O)c1c(Br)ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1C	848945283	LCZCBFJWZPYNFG-UHFFFAOYSA-N	466.306	3.003	70	20	JGID	
Cc1cn2c(CN(C)C(=O)C3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)c(C)nc2s1	217128247	WGZCCHOTSDAYEF-UHFFFAOYSA-N	482.578	3.350	70	20	JGID	
O=C1CCc2cc(-c3csc(NS(=O)(=O)c4ccc(S(=O)(=O)F)cc4)n3)ccc2N1	848946399	DIPUWERVHPXHKH-UHFFFAOYSA-N	467.525	3.154	70	20	JGID	
CN1CCC(N(c2ccc(Br)cc2)S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1	848948518	ZHDQUCOBRLHDHM-UHFFFAOYSA-N	491.404	3.397	70	20	JGID	
C[C@@H]1CN([C@H](CNC(=O)c2ccc(S(=O)(=O)F)cc2)c2c(F)cccc2Cl)CCO1	865205005	DLUVECNKSXUQPH-FZKQIMNGSA-N	458.914	3.329	70	20	JGID	
O=C(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1cccc(S(=O)(=O)F)c1	1339472074	JZDLWGKXZYCGTR-UHFFFAOYSA-N	472.517	3.136	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1	848944170	PDGNRGQZPOPMPR-UHFFFAOYSA-N	488.515	3.086	70	20	JGID	
CN1CCN(c2ccc(Br)cc2NC(=O)c2ccc(S(=O)(=O)F)cc2)CC1	865208567	ODICKOLIOJAUHI-UHFFFAOYSA-N	456.337	3.111	70	20	JGID	
O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1)c1cccnc1	216811341	CNNTXXHGIFROOU-RSXGOPAZSA-N	456.590	3.104	70	20	JGID	
O=C(Nc1cccc(CO)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1	218287597	SXZRLHFRJJGKNZ-ZDUSSCGKSA-N	459.387	3.042	70	20	JGID	
CC(C)(C)OC(=O)NCc1ccc2c(NS(=O)(=O)c3cccc(S(=O)(=O)F)c3)noc2c1	848949091	WHWOKYRCZFHFLC-UHFFFAOYSA-N	485.515	3.312	70	20	JGID	
Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)F)c1	1337519616	CIEXSWSMYGCIMR-OAQYLSRUSA-N	457.527	3.420	70	20	JGID	
Cc1cccc(-n2ccnc2SCC(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1C	218601304	GORZASYUGYOIIC-UHFFFAOYSA-N	450.612	3.044	70	20	JGID	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(S(=O)(=O)F)cc1	865207123	APQCIGHGNNUWAA-UHFFFAOYSA-N	452.504	3.231	70	20	JGID	
Cc1ccc(Cn2nccc2NC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)cc1	218143516	BDMLMMGPOZIIKJ-UHFFFAOYSA-N	473.986	3.328	70	20	JGID	
O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1)c1cccnc1	216811299	CNNTXXHGIFROOU-AHWVRZQESA-N	456.590	3.104	70	20	JGID	
CCOC(=O)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H](C)c1cccc(Br)c1	1336955359	ZWEPKXKLCDJWTK-NSHDSACASA-N	461.309	3.202	70	20	JGID	
O=C(Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)c1cccc(S(=O)(=O)F)c1	1516701514	KSGAFPKAKYSVNA-UHFFFAOYSA-N	451.483	3.493	70	20	JGID	
O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)Nc1ccnn1Cc1ccccc1Cl	217151375	DKMLHWLZJKCYGD-JOCHJYFZSA-N	469.954	3.368	70	20	JGID	
CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)ccc1OCC(=O)N1CCCCC1	865204347	PHCNDYKCYILJPH-UHFFFAOYSA-N	464.515	3.387	70	20	JGID	
CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1S(=O)(=O)N(CC)CC	1336413155	LLHFGTWUQRXFMJ-UHFFFAOYSA-N	458.533	3.026	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccccc2-n2cc(Br)cn2)cc1	848944624	RRJRKBNCLJDPGO-UHFFFAOYSA-N	460.306	3.094	70	20	JGID	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCn2c(=O)n(C)c3ccccc32)c1	217753948	IEXIRTKMMYTYGH-UHFFFAOYSA-N	464.975	3.053	70	20	JGID	
Cc1ccc(-c2nnc3n2CCCCC3)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944773	ZIANDSKPCFEELH-UHFFFAOYSA-N	464.544	3.439	70	20	JGID	
O=C(c1cccc(Cl)c1)c1cccnc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848948790	HRJNAVVTQRDAPQ-UHFFFAOYSA-N	454.888	3.425	70	20	JGID	
CN1CCN(c2ccc(Br)cc2NC(=O)c2cccc(S(=O)(=O)F)c2)CC1	1340086999	DVDSGNVCJXLWKA-UHFFFAOYSA-N	456.337	3.111	70	20	JGID	
O=C(CCCS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(S(=O)(=O)F)cc1	865204185	IMYRTZKAPYYXHO-UHFFFAOYSA-N	464.334	3.300	70	20	JGID	
O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccc(S(=O)(=O)F)cc1	865204921	OSUUWIUYDVGMAH-UHFFFAOYSA-N	473.511	3.370	70	20	JGID	
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1	216833822	OTYYAZPIWWFNPW-XMMPIXPASA-N	453.498	3.434	70	20	JGID	
O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cccc(S(=O)(=O)F)c1	1120944134	HOAMWQAHODCIIG-GOSISDBHSA-N	460.449	3.167	70	20	JGID	
O=S1(=O)CC[C@@H](N2CCN(Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)CC2)C1	216779669	PEIOUAMFOHQLDF-HXUWFJFHSA-N	459.015	3.043	70	20	JGID	
COc1ccc(C(=O)N2CCN(C(=O)CCc3cccc(Br)c3)CC2)cc1OC	216856878	XYDQIBIICYAGSD-UHFFFAOYSA-N	461.356	3.384	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)cc1	848948159	FMANHHZQDQMZNN-UHFFFAOYSA-N	464.544	3.054	70	20	JGID	
CC(C)C[C@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1nc2ccccc2[nH]1	216818679	KRASRQHJMGYRIL-IBGZPJMESA-N	453.568	3.361	70	20	JGID	
Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)n(-c2ccc(F)cc2)n1	217352246	QVYUUICIGPFDJA-UHFFFAOYSA-N	460.506	3.498	70	20	JGID	
Cc1ccc2nc(COc3cccc(C(=O)NCc4ccc(N5CCN(C)CC5)nc4)c3)cn2c1	218141863	QFOXVCAWQXLJTN-UHFFFAOYSA-N	470.577	3.299	70	20	JGID	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3nnn(OCc4cccc5cccnc45)c3c2)C1	217528354	PZMYWHLPADFPOY-CALCHBBNSA-N	451.552	3.275	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	865204168	HUERKVKWUTYNQW-UHFFFAOYSA-N	480.583	3.263	70	20	JGID	
O=C(Nc1ccc(CN2CCOCC2)cc1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1	218596579	IYUJIJLDVVYSPC-QJOMJCCJSA-N	456.506	3.402	70	20	JGID	
Cc1cccc(NC(=O)CN2CCN(Cc3ccc(S(=O)(=O)C(F)F)cc3)CC2)c1C	217096075	OJJDGBJNOHCCGR-UHFFFAOYSA-N	451.539	3.056	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1	848949003	PZFZGUGWIHPYNK-ZDUSSCGKSA-N	456.542	3.329	70	20	JGID	
CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)cc1	865205687	OWDDQFGIXLRXFZ-MRXNPFEDSA-N	468.572	3.005	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	865204064	DEJCQPYIJBDBMN-UHFFFAOYSA-N	494.488	3.403	70	20	JGID	
O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)NCc1ccc(C(=O)N2CCCC2)cc1	218612178	GLOGFAMEANUESD-UHFFFAOYSA-N	464.591	3.279	70	20	JGID	
O=C(COc1ccc(I)cc1)Nc1ccc(CN2CCOCC2)cc1	216690759	KBIUYWWMZIFPQC-UHFFFAOYSA-N	452.292	3.141	70	20	JGID	
CC(=O)N[C@@H](CC(=O)N1CCN(CCOc2ccccc2)CC1)c1ccc(Br)cc1	216770644	YCHQTTKOMZSGBU-QFIPXVFZSA-N	474.399	3.240	70	20	JGID	
O=C(CN(Cc1ccccc1F)C(=O)c1cc(S(=O)(=O)F)c[nH]1)Nc1ccccc1F	1346040422	GLHISBWLAMWOMR-UHFFFAOYSA-N	451.426	3.232	70	20	JGID	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(Cc3ccc(S(=O)(=O)C(F)F)cc3)CC2)c1C	217088518	YPFMQQUEEPLLKU-UHFFFAOYSA-N	486.606	3.423	70	20	JGID	
CC(=O)N[C@H](CC(=O)NC1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)cc1	218294389	RIEYBUBHWZZPIG-GOSISDBHSA-N	462.344	3.030	70	20	JGID	
CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)Nc1ccc(S(=O)(=O)F)cc1	865204219	KBMFLZKUBFJFAA-SFHVURJKSA-N	482.331	3.275	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1	865204205	JSAOVGJQZFGVTD-UHFFFAOYSA-N	480.564	3.406	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2c(F)cc(I)cc2F)cc1	848946043	JMRHQASLQLNFBN-UHFFFAOYSA-N	477.223	3.028	70	20	JGID	
O=C(Cc1ccccc1)N1CCc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc21	848946201	RPBPYSOUDLMORZ-UHFFFAOYSA-N	474.535	3.277	70	20	JGID	
COc1cccc(N2CCN(C(=O)C[C@@H](NC(C)=O)c3ccc(Br)cc3)CC2)c1	216766912	PQKSAUUFCJLSRE-OAQYLSRUSA-N	460.372	3.374	70	20	JGID	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N1CCCCC1	865206252	WKEOHJMKCDPBCA-UHFFFAOYSA-N	470.544	3.170	70	20	JGID	
O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CC=C(c2ccc(O)cc2)CC1	216853132	RYVJBAVAVYWYHP-UHFFFAOYSA-N	462.518	3.387	70	20	JGID	
CC[C@@H](C)[C@H](NC(=O)c1cc(Br)ccc1I)C(=O)OC	217431314	WJFZHCNQEHHHLT-PELKAZGASA-N	454.102	3.371	70	20	JGID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O	217160460	MBMPYQWCVRGWTA-GOSISDBHSA-N	495.634	3.150	70	20	JGID	
COc1cc([C@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C(F)(F)F)cc(OC)c1OC	865210035	PKRXWKNYIAZHNM-INIZCTEOSA-N	451.394	3.404	70	20	JGID	
CCOC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)c1c(C)nn(-c2ccc(F)cc2)c1C	1336920344	IEQYEVRZWVLXMN-FQEVSTJZSA-N	477.489	3.321	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc1	848944662	UEAZJAULWGILOQ-UHFFFAOYSA-N	468.507	3.270	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2)cc1	848944681	VGHKQAOBVGKWBY-UHFFFAOYSA-N	488.515	3.086	70	20	JGID	
O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc(S(=O)(=O)F)c[nH]1	1347188486	BOFCFPRFTBKPLN-UHFFFAOYSA-N	476.496	3.024	70	20	JGID	
Cc1c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cccc1-c1nnc2n1CCCCC2	848947502	SUCVHPSCIBFLNM-UHFFFAOYSA-N	464.544	3.439	70	20	JGID	
O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(S(=O)(=O)F)cc1	865207767	VYCHBPGJBMQLDV-GOSISDBHSA-N	460.449	3.167	70	20	JGID	
CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)F)c3)nc2)CC1	1336961408	IMFKMIPMUFWGAA-UHFFFAOYSA-N	464.519	3.049	70	20	JGID	
CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCN3CCN(C)CC3)c2)cc1	217119445	XJKLCYQFFGWKLL-UHFFFAOYSA-N	472.655	3.116	70	20	JGID	
COc1ccc([C@@H](CNC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)N2CCCC2)cc1	216918570	XKYFATKCXAHCNR-XMMPIXPASA-N	462.598	3.007	70	20	JGID	
Cc1cccc(C)c1NC(=O)CN1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1	217095992	FONZDDVXNUALMJ-UHFFFAOYSA-N	451.539	3.056	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	865204528	XDWCZCWEWMCCLI-UHFFFAOYSA-N	494.488	3.403	70	20	JGID	
O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)Nc1ccnn1Cc1ccccc1Cl	217151388	DKMLHWLZJKCYGD-QFIPXVFZSA-N	469.954	3.368	70	20	JGID	
CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)cc1	1336411137	YNXJFIPGJONUOL-MRXNPFEDSA-N	468.572	3.005	70	20	JGID	
CC(=O)N[C@H](CC(=O)N1CCN(CCc2ccccc2)CC1)c1ccc(Br)cc1	217087127	LQXAWGGGCDHCSX-JOCHJYFZSA-N	458.400	3.403	70	20	JGID	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)F)cc1	865206138	TYSGUWYGOIVYRB-UHFFFAOYSA-N	470.544	3.170	70	20	JGID	
CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2ccc(S(=O)(=O)F)cc2)CC1	865208774	WKCNZEYISBKIRX-UHFFFAOYSA-N	459.465	3.045	70	20	JGID	
COc1ccc(-c2nnc(SCc3cc(=O)n(C)c(=O)n3C)n2-c2ccc(Cl)cc2)cc1	217496426	BZFLEYUDBLZONK-UHFFFAOYSA-N	469.954	3.286	70	20	JGID	
COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1cccc(S(=O)(=O)F)c1	1338956909	CBAAFLCYEDUFQZ-QGZVFWFLSA-N	483.315	3.103	70	20	JGID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	865205835	MSZIYZFPTLODKG-UHFFFAOYSA-N	451.829	3.374	70	20	JGID	
COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)c3ccc(S(=O)(=O)F)cc3)c2C)c1	865209914	KWNOAEKIUNOPHR-OAQYLSRUSA-N	473.526	3.370	70	20	JGID	
COc1ccccc1N1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC1	216755954	UWKLXARCKITGEC-IBGZPJMESA-N	460.372	3.374	70	20	JGID	
Cc1cc(=O)c(C(=O)Nc2ccc(S(=O)(=O)F)cc2)nn1-c1ccccc1C(F)(F)F	865204578	ZHJMHSCYBCITAM-UHFFFAOYSA-N	455.389	3.470	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1	848946099	MUSJXTCGCHUXDN-UHFFFAOYSA-N	467.397	3.489	70	20	JGID	
O=C(NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O)c1cc(S(=O)(=O)F)c[nH]1	1123569016	WCTQGESZHIVRHW-AWNIVKPZSA-N	492.337	3.446	70	20	JGID	
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O	216833601	ABXFMMZQXBQXNB-KRWDZBQOSA-N	465.556	3.313	70	20	JGID	
CC(C)(C(=O)Nc1ccc(S(=O)(=O)F)cc1)S(=O)(=O)c1ccc(Br)cc1	865204123	GDSLLLJFTBKTLD-UHFFFAOYSA-N	464.334	3.298	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)cc1	848945635	WPSATHZQLRIGEM-UHFFFAOYSA-N	461.496	3.372	70	20	JGID	
Cc1sc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nc1-c1ccc2c(c1)CCC(=O)N2	848947818	LBUIIMGJUSQCNC-UHFFFAOYSA-N	481.552	3.462	70	20	JGID	
COc1ccc(NC(=O)C2(NC(=O)c3cccc(S(=O)(=O)F)c3)CCCC2)cc1OC	1338261406	VAACJNKTTSYLAY-UHFFFAOYSA-N	450.488	3.043	70	20	JGID	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)F)cc3)CC2)cc1C	865204374	QDOAURZEPPYVRK-UHFFFAOYSA-N	454.545	3.001	70	20	JGID	
COc1ccc(CCC(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC	216891055	UOVRJIHLIKRPHS-UHFFFAOYSA-N	456.539	3.075	70	20	JGID	
C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1)[C@H]1C[C@H]2CC[C@H]1C2	1336413741	PQAXJCZJFKEKFI-WZTLGTBRSA-N	469.560	3.028	70	20	JGID	
NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)cc2)s1	1336954460	QGBNYWKJZCYNGS-UHFFFAOYSA-N	486.344	3.444	70	20	JGID	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	865204315	OAOLANARDKNFHZ-UHFFFAOYSA-N	470.544	3.170	70	20	JGID	
O=S(=O)(c1ccc2c(c1)nc(-c1ccc(F)c(F)c1)n2C[C@H]1CCCO1)N1CCOCC1	218029998	RYMNTXPGQFTMND-MRXNPFEDSA-N	463.506	3.181	70	20	JGID	
CCOC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)c1c(C)nn(Cc2ccccc2)c1C	1338820093	TYILQLNMJZOKBO-NRFANRHFSA-N	473.526	3.241	70	20	JGID	
CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c1	1339472936	XATATNVQKUTQDI-FCDQGJHFSA-N	467.544	3.190	70	20	JGID	
CC(C)C[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1nc2ccccc2[nH]1	216818643	KRASRQHJMGYRIL-LJQANCHMSA-N	453.568	3.361	70	20	JGID	
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)n(-c2ccccn2)n1	216742733	RXDMHQWSUBPGET-CALCHBBNSA-N	453.568	3.495	70	20	JGID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1	1337724453	FXJYCNFENBMORL-UHFFFAOYSA-N	489.529	3.218	70	20	JGID	
CCCN(CC(=O)Nc1ccccc1C)C(=O)CN1CCN(Cc2cc(F)ccc2OC)CC1	216776385	PJWOQIYRTDKWQN-UHFFFAOYSA-N	470.589	3.138	70	20	JGID	
CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	865204172	HXKMRVNPSYTZIB-UHFFFAOYSA-N	493.376	3.390	70	20	JGID	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cc(C(C)C)nc3onc(C)c23)c(=O)[nH]c1=O	217944143	LUWGPBPBVDZZNH-UHFFFAOYSA-N	480.525	3.327	70	20	JGID	
O=S1(=O)CC[C@H](N2CCN(Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)CC2)C1	216779720	PEIOUAMFOHQLDF-FQEVSTJZSA-N	459.015	3.043	70	20	JGID	
COc1ccc(C(=O)N2CCN(C(=O)CCc3ccccc3Br)CC2)cc1OC	216856835	VHILROIVPCJIAX-UHFFFAOYSA-N	461.356	3.384	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2Br)cc1	848946492	JNTCNBBDFBEMNV-UHFFFAOYSA-N	474.333	3.153	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(I)ccc2Cl)cc1	848948408	STRTUDNUALAXLR-UHFFFAOYSA-N	475.688	3.404	70	20	JGID	
COc1ccc(F)cc1CN1CCN(C(=O)c2nn(CC(C)C)c(=O)c3ccccc23)CC1	216723933	ROWBQUYXRFTWOB-UHFFFAOYSA-N	452.530	3.158	70	20	JGID	
C[C@H]1CN([C@@H](CNC(=O)c2cccc(S(=O)(=O)F)c2)c2c(F)cccc2Cl)CCO1	1336922839	WOEYYYLQOJWFLK-UGSOOPFHSA-N	458.914	3.329	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)N(C[C@H]2CCCO2)c2ccc(Br)cc2)cc1	848944430	IUNNMLNRFXCITC-OAHLLOKOSA-N	478.361	3.482	70	20	JGID	
C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848948920	MCDWLQFNHLMSKA-GFCCVEGCSA-N	450.435	3.467	70	20	JGID	
O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)Nc1ccc(S(=O)(=O)C(F)F)cc1	217136623	ZQBJVDLUBRBREB-UHFFFAOYSA-N	467.519	3.362	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	865204070	DLAPKPXGAVXARC-UHFFFAOYSA-N	460.936	3.425	70	20	JGID	
CC(=O)N[C@H](CC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(Br)cc1	216771701	HWESGDBTJCANCO-HXUWFJFHSA-N	458.356	3.001	70	20	JGID	
COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1ccc(S(=O)(=O)F)cc1	865210467	GRACNZNIVMMHOR-KRWDZBQOSA-N	483.315	3.103	70	20	JGID	
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	848944292	BXPACPWHXSBYKP-GJZGRUSLSA-N	454.545	3.264	70	20	JGID	
O=C(c1ccc(Cl)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)N1CCCCC1	848944408	IAPKLRLUVUGZSA-UHFFFAOYSA-N	460.936	3.425	70	20	JGID	
Cc1c(I)cccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1333041669	NOEXYHJIYDNTMK-UHFFFAOYSA-N	455.270	3.059	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1	848944042	CFBDDNKSGFJRRQ-UHFFFAOYSA-N	450.517	3.131	70	20	JGID	
O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccc(S(=O)(=O)F)cc1	865204046	CKOFZOJMVYISQL-OAHLLOKOSA-N	474.297	3.495	70	20	JGID	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(S(=O)(=O)F)c1	1516701138	HACPOABCMUCHHI-UHFFFAOYSA-N	452.504	3.231	70	20	JGID	
CC(=O)N[C@H](CC(=O)NCC1(N2CCOCC2)CCCCC1)c1ccc(Br)cc1	216769293	ANVXRPVHJMGGLJ-HXUWFJFHSA-N	466.420	3.168	70	20	JGID	
C[C@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)ccc2Cl)C[C@@H](C)O1	865204132	GPXFIMDESDVWGF-BETUJISGSA-N	490.962	3.048	70	20	JGID	
CN(C1CCCCC1)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944522	MVKBDZQSTPCEGO-UHFFFAOYSA-N	490.600	3.099	70	20	JGID	
O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(S(=O)(=O)F)cc1	865207769	VYCHBPGJBMQLDV-SFHVURJKSA-N	460.449	3.167	70	20	JGID	
COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)c2)cc1	865203557	CDNGYRSLHFREGH-UHFFFAOYSA-N	478.523	3.431	70	20	JGID	
CCOC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)c1c(C)nn(-c2ccc(F)cc2)c1C	865211205	ZRJKIUJNURWFKL-HXUWFJFHSA-N	477.489	3.321	70	20	JGID	
Cc1nc2ccccc2nc1CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	216824193	XFJIWYRRWGXGPN-UHFFFAOYSA-N	461.385	3.207	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc1	848944480	KZOGEQWRESJUOB-UHFFFAOYSA-N	450.966	3.352	70	20	JGID	
COC(=O)CCN(Cc1cccc(Br)c1)C(=O)c1cccc(S(=O)(=O)F)c1	1340629388	JWKLSCHPIZLZJU-UHFFFAOYSA-N	458.305	3.313	70	20	JGID	
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NCCN2CCN(C)CC2)cc1	217086246	SZVSYUQUJTWJLF-UHFFFAOYSA-N	472.655	3.071	70	20	JGID	
CN(C1CCCCC1)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848945284	NPVIBJQOIKSZBP-UHFFFAOYSA-N	490.600	3.099	70	20	JGID	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	865204076	DROKWWUMWOBCIH-GJZGRUSLSA-N	484.571	3.272	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1	865204440	SWFZVOYCXWJPEO-UHFFFAOYSA-N	480.564	3.406	70	20	JGID	
COC(=O)c1ccccc1S(=O)(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1	217058144	XDOHDJVQDSVYCA-UHFFFAOYSA-N	456.486	3.389	70	20	JGID	
CCCCn1c(SCc2nnc3n(C)c(=O)c4ccccc4n23)nnc1[C@@H](CC)N(C)C	216659924	YCNPVUHKIDQEBL-MRXNPFEDSA-N	454.604	3.278	70	20	JGID	
Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(C(=O)NC4CC4)c4ccccc4n3)CC2)c1	216800392	NCLZCJZBRRFTJL-UHFFFAOYSA-N	464.591	3.255	70	20	JGID	
O=C(NCCN1CCN(Cc2ccccc2)CC1)c1cnn(-c2ccccc2)c1C(F)(F)F	218351136	LUNMEBPLCBZCJB-UHFFFAOYSA-N	457.500	3.439	70	20	JGID	
Cc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n([C@H]2CCN(Cc3ccccc3)C2)n1	848947192	ZCUYUAZTROTEET-SFHVURJKSA-N	478.571	3.098	70	20	JGID	
CC(C)(C)OC(=O)N1CCC(OC(=O)c2cccc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)c2)CC1	1345749542	WEONJNCHGCDDJG-UHFFFAOYSA-N	495.529	3.482	70	20	JGID	
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cccnc3)CC2)c1	217828871	JSBJIXTZGJFLIV-HXUWFJFHSA-N	476.602	3.180	70	20	JGID	
COc1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC	1337667398	PIVDIEFACMCWGA-STQMWFEESA-N	467.519	3.346	70	20	JGID	
COc1cc([C@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C(F)(F)F)cc(OC)c1OC	1336954865	VNRIYQMMEIIQBS-INIZCTEOSA-N	451.394	3.404	70	20	JGID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	1348385160	RFAHBKGRWQDMMV-UHFFFAOYSA-N	463.481	3.499	70	20	JGID	
O=C(Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1cccc(S(=O)(=O)F)c1	1517977192	ZOAIZTOVDVDQEQ-UHFFFAOYSA-N	468.462	3.272	70	20	JGID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)Nc1ccc2c(c1)OCCN(C(=O)C1CCCC1)C2	685945118	WHXDHHOSGMPLGT-UHFFFAOYSA-N	460.527	3.437	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccnn2Cc2cccc(Br)c2)cc1	848946397	DHHITHFTSUKTKV-UHFFFAOYSA-N	474.333	3.153	70	20	JGID	
O=C(Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(C(F)(F)F)c1)[C@@H]1CCCO1	848944256	AIGLNXRXBLONNS-INIZCTEOSA-N	496.460	3.282	70	20	JGID	
O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)F)c1	1120785349	XRQAPNUYLLETSO-KRWDZBQOSA-N	458.433	3.457	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(-c3nnc4n3CCCCC4)c(F)cc2F)cc1	848944385	GZVGSPBBOSWKER-UHFFFAOYSA-N	486.497	3.409	70	20	JGID	
O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(-c2nc3ccccc3s2)cn1	216829709	FPZRZJMAGKWTJS-UHFFFAOYSA-N	469.526	3.369	70	20	JGID	
O=c1c(Cl)c(N2CCN(C[C@@H](O)COc3ccccc3Cl)CC2)cnn1-c1ccccc1	217412769	DDWUAGFSBCSHIF-GOSISDBHSA-N	475.376	3.101	70	20	JGID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	865205699	JNOVPNGBKUXBNG-UHFFFAOYSA-N	461.393	3.234	70	20	JGID	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1nn(-c2ccccc2)c2c1CCC2	217619707	KNIDADSGLPJCKK-UHFFFAOYSA-N	473.577	3.287	70	20	JGID	
CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)N1CC=C(c3ccc(O)cc3)CC1)n2CC(C)C	216850645	HLVFNGNGOVNEKV-UHFFFAOYSA-N	493.608	3.297	70	20	JGID	
O=C(NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O)c1cc(S(=O)(=O)F)c[nH]1	1123569017	WCTQGESZHIVRHW-MLPAPPSSSA-N	492.337	3.446	70	20	JGID	
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1346040581	KLGCETFXAMFSDD-UHFFFAOYSA-N	487.918	3.388	70	20	JGID	
O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(C[C@@H](O)COc2ccccc2Cl)CC1	217412174	ARLIBIFBQCLPFG-CQSZACIVSA-N	479.813	3.393	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1	848944213	UJNLFPRUBYJAJV-UHFFFAOYSA-N	468.450	3.001	70	20	JGID	
COc1ccc(F)cc1CN1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1	216723464	YTXZEZOPNSLTCT-UHFFFAOYSA-N	454.329	3.215	70	20	JGID	
O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1cccc(S(=O)(=O)F)c1	1336922465	VDZXVEHKJGHDKC-UHFFFAOYSA-N	454.527	3.314	70	20	JGID	
COC(=O)c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(C)cc1Br	848944988	FBEOBNBLFNCEOU-UHFFFAOYSA-N	466.306	3.003	70	20	JGID	
O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccc(S(=O)(=O)F)cc1	865204045	CKOFZOJMVYISQL-HNNXBMFYSA-N	474.297	3.495	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(I)cc2Cl)cc1	848944708	WIGWZHPUDMEVFS-UHFFFAOYSA-N	475.688	3.404	70	20	JGID	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)cc1	848946525	LMUVVXMIACYFKJ-UHFFFAOYSA-N	456.498	3.056	70	20	JGID	
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NCc1ccccc1CN1CCCC1	217455241	RLLQZPHTFVYENR-UHFFFAOYSA-N	458.628	3.110	70	20	JGID	
O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	217120636	QPBBUMSSJFBUGQ-QGZVFWFLSA-N	477.652	3.075	70	20	JGID	
CC(C)(C)OC(=O)N1CCc2cc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)ccc21	848945274	NJYXMSULPVDKIM-UHFFFAOYSA-N	456.517	3.443	70	20	JGID	
CCOc1cc(N2CCOC(C)(C)C2)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848948511	YVXHMARDIKHRFZ-UHFFFAOYSA-N	472.560	3.160	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1	865204115	FSYWYKDQBQGSPD-UHFFFAOYSA-N	495.598	3.372	70	20	JGID	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(S(=O)(=O)F)cc1	865208437	KBUUCUVZTAYFRE-UHFFFAOYSA-N	458.533	3.026	70	20	JGID	
O=C(N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(S(=O)(=O)F)cc1	865209427	SRSAIQBJYGLUCB-KRWDZBQOSA-N	458.433	3.285	70	20	JGID	
O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	217120648	QPBBUMSSJFBUGQ-KRWDZBQOSA-N	477.652	3.075	70	20	JGID	
CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)cc1	848946392	CQVOTZKNYIGVIJ-UHFFFAOYSA-N	497.595	3.338	70	20	JGID	
COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1	217098096	GQIVRRKZHQLHJS-DEOSSOPVSA-N	489.601	3.262	70	20	JGID	
COc1ccc([C@H]2CCCN2C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1OC	218671279	XLDXILLFDMKLIO-QGZVFWFLSA-N	472.343	3.484	70	20	JGID	
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)n(-c2ccccn2)n1	216742829	RXDMHQWSUBPGET-IRXDYDNUSA-N	453.568	3.495	70	20	JGID	
CC(=O)N[C@@H](CC(=O)NCC1(N2CCOCC2)CCCCC1)c1ccc(Br)cc1	216769259	ANVXRPVHJMGGLJ-FQEVSTJZSA-N	466.420	3.168	70	20	JGID	
COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CC1	865203988	CGJPUDUWQYXZNJ-UHFFFAOYSA-N	454.907	3.498	70	20	JGID	
CC(=O)N[C@H](CC(=O)N1CCC(C(=O)N2CCCCC2)CC1)c1ccc(Br)cc1	216768282	GEQARZFZZAYEFQ-HXUWFJFHSA-N	464.404	3.268	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1	848944609	RCNWJRUHWWHCJS-UHFFFAOYSA-N	450.517	3.131	70	20	JGID	
O=C(NCC(=O)N1CCN(CCOc2ccccc2Cl)CC1)c1ccc(Br)cc1	217588848	HXTMPESEIOERHK-UHFFFAOYSA-N	480.790	3.056	70	20	JGID	
O=C(c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1Cl)N1CCCCC1	848945666	YBNDNAZZDWMCED-UHFFFAOYSA-N	460.936	3.425	70	20	JGID	
CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	865206417	FERQDCXCIDOEAF-FCDQGJHFSA-N	467.544	3.190	70	20	JGID	
O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc(S(=O)(=O)F)c[nH]1	1123567578	HHFUVVQHNOWEBF-UHFFFAOYSA-N	457.892	3.379	70	20	JGID	
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1	217093673	USBVGLSXTZEQMH-UHFFFAOYSA-N	486.606	3.487	70	20	JGID	
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N1CCCCCC1	865205661	JGXSCIBTYPJHSV-UHFFFAOYSA-N	454.545	3.470	70	20	JGID	
COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)c3cccc(S(=O)(=O)F)c3)c2)cc1	1121032064	JPZLQKHUPFNXFX-UHFFFAOYSA-N	478.523	3.084	70	20	JGID	
CC(=O)N[C@@H](CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Br)cc1	216767678	URESHVCHMVHZHS-VXKWHMMOSA-N	492.389	3.345	70	20	JGID	
CCCCN(C(=O)c1cc(C(C)C)nc2onc(C)c12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	217947234	DRLXIPOYDCRRQC-UHFFFAOYSA-N	456.547	3.190	70	20	JGID	
O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(CN2CCOCC2)cc1	218160755	CFCUIUADYORWHY-UHFFFAOYSA-N	471.355	3.020	70	20	JGID	
CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c2ccc(Cl)cc2)c1	1348646256	FOSWUFOACFCTHO-SFHVURJKSA-N	470.931	3.249	70	20	JGID	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C	865204332	OXQHLQNDKWBAJE-KSSFIOAISA-N	484.571	3.463	70	20	JGID	
CC(=O)N[C@H](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Br)cc1	217585468	BYBUDZVJMGHPLA-OAQYLSRUSA-N	472.383	3.437	70	20	JGID	
Cc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n(-c2cccc(Br)c2)n1	848946366	BKBPWZUBIDVYJG-UHFFFAOYSA-N	474.333	3.402	70	20	JGID	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C	865204333	OXQHLQNDKWBAJE-RDTXWAMCSA-N	484.571	3.463	70	20	JGID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	1120784666	AMDWBVCLDWTJFR-UHFFFAOYSA-N	461.393	3.234	70	20	JGID	
O=S(=O)(Cc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848946227	TYPROWZRCLWQSF-UHFFFAOYSA-N	484.552	3.088	70	20	JGID	
CCCC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)Nc1cccc(N2CCCC2)c1	1123523717	GHDHYANRTRLVNV-SFHVURJKSA-N	450.536	3.200	70	20	JGID	
O=C(c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1)N1CCc2ccccc21	848944545	ODFVWLZKXHDDME-UHFFFAOYSA-N	460.508	3.349	70	20	JGID	
CS(=O)(=O)c1cccc(Oc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)c1	848944890	FLCHGNHCXQNGEU-UHFFFAOYSA-N	485.536	3.341	70	20	JGID	
COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(OC)c1	848944052	DMDWNEHJCHUSFT-UHFFFAOYSA-N	494.522	3.415	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1	865204461	UNJHOVZMFGIJQZ-MRXNPFEDSA-N	455.305	3.351	70	20	JGID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1	1348647362	QKCVLNMSEORGMW-OAHLLOKOSA-N	483.319	3.387	70	20	JGID	
O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)F)cc1	865206157	UGZRQKQQNKZCCB-UHFFFAOYSA-N	456.451	3.256	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Br)cn3)cs2)cc1	848948619	ACAVKOBSCXLKFQ-UHFFFAOYSA-N	478.346	3.427	70	20	JGID	
CCOCCOc1ccc(Br)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944974	DNISMSVEIUALCH-UHFFFAOYSA-N	482.349	3.323	70	20	JGID	
CN(C)S(=O)(=O)c1ccc(OCCn2nc(-c3cccs3)c3ccccc3c2=O)cc1	217131654	OLIAAJFCNWMJCJ-UHFFFAOYSA-N	455.561	3.454	70	20	JGID	
C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1)[C@H]1C[C@H]2CC[C@H]1C2	1336413737	PQAXJCZJFKEKFI-KHSSZTOVSA-N	469.560	3.028	70	20	JGID	
CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2cccc(S(=O)(=O)F)c2)CC1	1516701012	DIGRJZRNLHNESX-UHFFFAOYSA-N	459.465	3.045	70	20	JGID	
C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1	218759564	DGDPTSJPTCPYBY-LBPRGKRZSA-N	461.893	3.091	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1	848944713	WUIFVJAZBIJAMF-UHFFFAOYSA-N	488.515	3.086	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cc1	848946273	WHTGMLUHBWINRK-UHFFFAOYSA-N	460.306	3.094	70	20	JGID	
C[C@H](CCc1ccc(I)cc1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1121184823	IUGUJELJBVQNHD-SNVBAGLBSA-N	450.273	3.029	70	20	JGID	
CC(=O)N[C@H](CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(Br)cc1	216756075	KGNSMSHZJYYNGI-LJQANCHMSA-N	471.355	3.453	70	20	JGID	
C[C@H]1CN(Cc2csc(NC(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)n2)C[C@@H](C)O1	217996372	IVYKKAMPBQBXMM-BETUJISGSA-N	456.490	3.140	70	20	JGID	
O=C(c1cc(F)cc(F)c1)c1cccnc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848947876	OEZWQDBQCHJWQR-UHFFFAOYSA-N	456.423	3.050	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	865204438	SQLFGGBDQINMGU-UHFFFAOYSA-N	478.926	3.177	70	20	JGID	
O=C(CSc1ncccc1C(=O)Nc1ccc(S(=O)(=O)F)cc1)Nc1ccc2c(c1)OCO2	865204473	UZRLAKVNUMIOHI-UHFFFAOYSA-N	489.506	3.452	70	20	JGID	
CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1	217089642	QLSWVKOTQVMZQK-UHFFFAOYSA-N	472.579	3.313	70	20	JGID	
C[C@H](NC(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)c1ccc(Br)cc1	217447971	NRBWZAQABUXJJI-KURKYZTESA-N	465.436	3.342	70	20	JGID	
COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)c3ccc(S(=O)(=O)F)cc3)c2)cc1	865208121	VJCJUJAIYVRXDL-UHFFFAOYSA-N	478.523	3.084	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)cc1	848944722	XAEJKNVYYAMDPH-UHFFFAOYSA-N	468.507	3.270	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cc([N+](=O)[O-])ccc1I	865204396	RCTZIMXEWJXDGX-UHFFFAOYSA-N	450.185	3.110	70	20	JGID	
CCn1c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nc2cc(Br)ccc21	848947410	MRFSMJWSTMZNHV-UHFFFAOYSA-N	462.322	3.278	70	20	JGID	
O=C(CN(Cc1cccnc1)C(=O)c1cc(S(=O)(=O)F)c[nH]1)Nc1ccc(Cl)cc1	1520865621	MGJGLXCOCGBICY-UHFFFAOYSA-N	450.879	3.002	70	20	JGID	
O=C(COc1ccc(Br)cc1Br)N1CCC(C(=O)N2CCCC2)CC1	217146258	OJPCRXAKVLIXFR-UHFFFAOYSA-N	474.193	3.451	70	20	JGID	
C[C@H](CCC(=O)Nc1ccc(S(=O)(=O)F)cc1)CC(=O)Nc1ccc(S(=O)(=O)F)cc1	865204553	YNUFNWSNDBYSET-CYBMUJFWSA-N	474.507	3.387	70	20	JGID	
O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944041	CEDLVLHXNHEUTF-UHFFFAOYSA-N	492.506	3.169	70	20	JGID	
O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)c1cc(S(=O)(=O)F)c[nH]1	1123469154	UQNRYBNKDXLQGW-LHHJGKSTSA-N	492.337	3.446	70	20	JGID	
O=C(NCCN1C(=O)c2ccccc2C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1	217282083	LKYQTDHYYOFUOQ-UHFFFAOYSA-N	468.557	3.399	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2I)cc1	848945275	NLTYSTSKRWBPAS-UHFFFAOYSA-N	475.688	3.404	70	20	JGID	
O=C(NCCc1cc(Cl)c2c(c1)OCCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1	217455590	QWPLDTOWSNWNNF-UHFFFAOYSA-N	456.930	3.343	70	20	JGID	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C	865204330	OXQHLQNDKWBAJE-KBXCAEBGSA-N	484.571	3.463	70	20	JGID	
C[C@@H]1CN([C@@H](CNC(=O)c2cccc(S(=O)(=O)F)c2)c2c(F)cccc2Cl)CCO1	1336922815	WOEYYYLQOJWFLK-ACJLOTCBSA-N	458.914	3.329	70	20	JGID	
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](c2cccc(F)c2)C1	1262788196	VJAHBDFAOJVVSY-KRWDZBQOSA-N	455.483	3.246	70	20	JGID	
COc1ccc([C@@H]2CCCN2C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1OC	218671202	XLDXILLFDMKLIO-KRWDZBQOSA-N	472.343	3.484	70	20	JGID	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)cc1[N+](=O)[O-]	848946386	CLJIHGNZWGDIDE-UHFFFAOYSA-N	457.486	3.486	70	20	JGID	
CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)n2)cc1	1120786615	OSDGMXOFYPJNMO-UHFFFAOYSA-N	450.517	3.117	70	20	JGID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1	1348647361	QKCVLNMSEORGMW-HNNXBMFYSA-N	483.319	3.387	70	20	JGID	
CC(=O)N1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccccc3C)n2Cc2ccco2)CC1	218673942	BXVHOQKEBTWXHF-KRWDZBQOSA-N	453.568	3.066	70	20	JGID	
Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)F)cc1	865209785	GYNFDLQQYGYMOX-OAQYLSRUSA-N	457.527	3.420	70	20	JGID	
CC(C)(C)OC(=O)N1Cc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2C1	848948748	GUGLINRLKAHZQA-UHFFFAOYSA-N	456.517	3.396	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	865204040	ZJKZCMDBGFHFQD-UHFFFAOYSA-N	460.936	3.425	70	20	JGID	
COc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1S(=O)(=O)Nc1ccccc1Cl	1345452420	VKMPQQCZFBXGBZ-UHFFFAOYSA-N	487.918	3.388	70	20	JGID	
CC(=O)N[C@@H](CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Br)cc1	216767772	URESHVCHMVHZHS-FCHUYYIVSA-N	492.389	3.345	70	20	JGID	
CC(C)(CNC(=O)c1ccc(S(=O)(=O)F)cc1)S(=O)(=O)c1ccc(Br)cc1	865207842	QNOAHHXSWXSUOS-UHFFFAOYSA-N	478.361	3.090	70	20	JGID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1	1263697073	KKQRTCWOQHYQCZ-UHFFFAOYSA-N	478.527	3.268	70	20	JGID	
O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)F)c1	1120785350	XRQAPNUYLLETSO-QGZVFWFLSA-N	458.433	3.457	70	20	JGID	
COc1cc([C@@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C(F)(F)F)cc(OC)c1OC	1336954866	VNRIYQMMEIIQBS-MRXNPFEDSA-N	451.394	3.404	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1	848946479	JASOYHNMAUWORB-UHFFFAOYSA-N	456.498	3.040	70	20	JGID	
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)cc1	865205686	OWDDQFGIXLRXFZ-INIZCTEOSA-N	468.572	3.005	70	20	JGID	
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCn3c(=O)n(C)c4ccccc43)cc2)cc1	217982668	SDHJVSLLRZVCNZ-UHFFFAOYSA-N	464.547	3.478	70	20	JGID	
CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c1	865206129	XONBJEFEWUMWMP-FCDQGJHFSA-N	467.544	3.190	70	20	JGID	
O=c1c(Cl)c(N2CCN(Cc3ccc(S(=O)(=O)C(F)F)cc3)CC2)cnn1-c1ccccc1	217094482	HJLGRPDANIVPHV-UHFFFAOYSA-N	494.951	3.204	70	20	JGID	
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)ccc1C	1336406970	RPPUKQABOWKZGS-UHFFFAOYSA-N	467.500	3.043	70	20	JGID	
CC[C@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)Nc1cccc(N2CCCC2)c1	1336949554	OTQUTZBWPZCWQZ-IFXJQAMLSA-N	450.536	3.056	70	20	JGID	
CC(=O)N[C@H](CC(=O)Nc1cc(C(N)=O)ccc1N1CCCC1)c1ccc(Br)cc1	218023854	FDELLUNPZSJUCF-GOSISDBHSA-N	473.371	3.354	70	20	JGID	
COc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)cc1OC	848946127	ODBRFULVFLNPOF-UHFFFAOYSA-N	458.514	3.286	70	20	JGID	
Cc1cc(NC(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)n(-c2ccc(F)cc2)n1	217151359	VIIHXJOCAVKNDR-QFIPXVFZSA-N	453.499	3.103	70	20	JGID	
O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1ccc(S(=O)(=O)F)cc1	865206478	HVKPCIHUOOUDAF-UHFFFAOYSA-N	454.527	3.314	70	20	JGID	
CCCOC(=O)c1cc(-c2cncnc2)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945207	LFIZFJOUUWHNPW-UHFFFAOYSA-N	479.511	3.169	70	20	JGID	
COc1cc([C@@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C(F)(F)F)cc(OC)c1OC	865210036	PKRXWKNYIAZHNM-MRXNPFEDSA-N	451.394	3.404	70	20	JGID	
Cc1c(C(=O)Nc2ccc(S(=O)(=O)F)cc2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1	865204336	OYZWNZPWSNFZSW-UHFFFAOYSA-N	467.523	3.069	70	20	JGID	
CS(=O)(=O)c1ccc(-c2csc(CC(=O)Nc3ccc(S(=O)(=O)F)cc3)n2)cc1	865204987	PXMCWQLDBCRNDI-UHFFFAOYSA-N	454.526	3.053	70	20	JGID	
CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)Nc1cccc(N2CCCC2)c1	1123523612	GHDHYANRTRLVNV-GOSISDBHSA-N	450.536	3.200	70	20	JGID	
C[C@H]1CN([C@H](CNC(=O)c2cccc(S(=O)(=O)F)c2)c2c(F)cccc2Cl)CCO1	1336922837	WOEYYYLQOJWFLK-SCLBCKFNSA-N	458.914	3.329	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1	865204352	PHSDAYXLPBYOBA-CYBMUJFWSA-N	456.442	3.437	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1	848945543	SYCSIBIMSRYEIZ-UHFFFAOYSA-N	451.379	3.214	70	20	JGID	
Cc1noc2nc(C(C)C)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)c12	217655403	RZGLCPGOBQOZBN-UHFFFAOYSA-N	464.494	3.080	70	20	JGID	
Cn1cnc(-c2ccc(Br)cc2)c1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848949008	QHONOQOIZQIUJB-UHFFFAOYSA-N	474.333	3.309	70	20	JGID	
COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)c3cccc(S(=O)(=O)F)c3)c2C)c1	1336954388	PLYPPPJAKWZDIM-OAQYLSRUSA-N	473.526	3.370	70	20	JGID	
O=S(=O)(c1ccc2c(c1)nc(-c1ccc(F)c(F)c1)n2C[C@@H]1CCCO1)N1CCOCC1	218029915	RYMNTXPGQFTMND-INIZCTEOSA-N	463.506	3.181	70	20	JGID	
COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1ccc(S(=O)(=O)F)cc1	865210468	GRACNZNIVMMHOR-QGZVFWFLSA-N	483.315	3.103	70	20	JGID	
COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944187	QXHGANVFWXGKFC-UHFFFAOYSA-N	464.496	3.407	70	20	JGID	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)ccc2C)cc1	1348385269	UGZZKFONFFOVNC-UHFFFAOYSA-N	467.500	3.043	70	20	JGID	
CS(=O)(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)cc1	848945685	ZABVYOHAILXHJZ-UHFFFAOYSA-N	485.536	3.341	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)cc1	848947514	UHSYRRFGVADAND-UHFFFAOYSA-N	479.433	3.289	70	20	JGID	
CN1CCC(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1	848945763	BYGSRERRCKFZQQ-UHFFFAOYSA-N	462.952	3.272	70	20	JGID	
CNC(=O)c1cc(Oc2cc(C)ccc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccn1	848947118	UEZUIDJHPSISFW-UHFFFAOYSA-N	479.511	3.001	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2I)cc1	848946189	QYUVXNSJSNXZKK-UHFFFAOYSA-N	475.688	3.404	70	20	JGID	
CC(=O)Nc1sc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nc1-c1ccccc1	848948327	OEIICIHZSPSIBM-UHFFFAOYSA-N	455.514	3.228	70	20	JGID	
Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)ccc2C)c1	1527341859	UTPPWENNLWMQQJ-UHFFFAOYSA-N	451.501	3.343	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc(=O)n(CCOc2ccccc2Cl)c1	865204910	OIRPELABSJPKOV-UHFFFAOYSA-N	450.875	3.491	70	20	JGID	
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cccnc3)CC2)c1	217828952	JSBJIXTZGJFLIV-FQEVSTJZSA-N	476.602	3.180	70	20	JGID	
COc1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC	1337667397	PIVDIEFACMCWGA-CHWSQXEVSA-N	467.519	3.346	70	20	JGID	
CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1	218759761	CAVOTPYVRUSQFW-SJORKVTESA-N	465.566	3.099	70	20	JGID	
CN1CCN(c2ccc(CNC(=O)c3c(-n4cccc4)sc4c3CCSC4)cn2)CC1	218601503	BXBMMCSKTKWYQW-UHFFFAOYSA-N	453.637	3.405	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc1	848946755	YFXKEIHWZOCGTF-UHFFFAOYSA-N	474.333	3.153	70	20	JGID	
C[C@H]1CN([C@@H](CNC(=O)c2ccc(S(=O)(=O)F)cc2)c2c(F)cccc2Cl)CCO1	865205009	DLUVECNKSXUQPH-UGSOOPFHSA-N	458.914	3.329	70	20	JGID	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N(CC)CC	865206317	ZUPCHDOUQSROIY-UHFFFAOYSA-N	458.533	3.026	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	865204242	LDALJFXWWAMGEC-UHFFFAOYSA-N	480.451	3.273	70	20	JGID	
O=S(=O)(c1ccc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1)C(F)F	217088735	FPNMRBMPKMJAMB-UHFFFAOYSA-N	499.388	3.496	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1	865203841	ATOZNTRFSNVVEU-OAHLLOKOSA-N	451.545	3.235	70	20	JGID	
C[C@@H](CCC(=O)Nc1ccc(S(=O)(=O)F)cc1)CC(=O)Nc1ccc(S(=O)(=O)F)cc1	865204554	YNUFNWSNDBYSET-ZDUSSCGKSA-N	474.507	3.387	70	20	JGID	
COC(=O)CCN(Cc1cccc(Br)c1)C(=O)c1ccc(S(=O)(=O)F)cc1	865209803	HIDHEJPPJSOLKP-UHFFFAOYSA-N	458.305	3.313	70	20	JGID	
CCOC(=O)c1sc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nc1-c1ccccc1	848946646	SARPADUDTONLGL-UHFFFAOYSA-N	470.525	3.446	70	20	JGID	
O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944239	YZMHUXSBPHJOOO-UHFFFAOYSA-N	478.479	3.127	70	20	JGID	
Cc1c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nnn1Cc1ccc(C(F)(F)F)cc1	848945111	GXLGKMRYEQTEEW-UHFFFAOYSA-N	478.449	3.113	70	20	JGID	
C[C@@H]1CN([C@@H](CNC(=O)c2ccc(S(=O)(=O)F)cc2)c2c(F)cccc2Cl)CCO1	865204999	DLUVECNKSXUQPH-ACJLOTCBSA-N	458.914	3.329	70	20	JGID	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N1CCCCCC1	865204225	KDXUWWONJFDAAV-UHFFFAOYSA-N	470.544	3.170	70	20	JGID	
O=c1c(Cl)c(N2CCN(C[C@H](O)COc3ccccc3Cl)CC2)cnn1-c1ccccc1	217412846	DDWUAGFSBCSHIF-SFHVURJKSA-N	475.376	3.101	70	20	JGID	
CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)cc1	848946179	QROABQCGJAGPJS-UHFFFAOYSA-N	455.514	3.228	70	20	JGID	
O=C(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1ccc(S(=O)(=O)F)cc1	865205453	MCYLRSFOGFPVNC-UHFFFAOYSA-N	472.517	3.136	70	20	JGID	
CCOC(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)c1c(C)nn(Cc2ccccc2)c1C	1338820094	TYILQLNMJZOKBO-OAQYLSRUSA-N	473.526	3.241	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1	848944697	WAQRDDNMOAPVGE-UHFFFAOYSA-N	483.568	3.106	70	20	JGID	
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)cc1	1336411136	YNXJFIPGJONUOL-INIZCTEOSA-N	468.572	3.005	70	20	JGID	
CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1	218759714	CAVOTPYVRUSQFW-DLBZAZTESA-N	465.566	3.099	70	20	JGID	
COc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(OC)cc1NC(=O)c1ccccc1	848944094	IXABAWYVGNFCAO-UHFFFAOYSA-N	494.522	3.415	70	20	JGID	
CNC(=O)c1cc(Oc2cc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)ccc2C)ccn1	848945631	WNNUHVNWNVZZOH-UHFFFAOYSA-N	479.511	3.001	70	20	JGID	
CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1	1120786052	AVPWSMQQLSQSSV-FCDQGJHFSA-N	467.544	3.190	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	848946603	PQKGKGOPDYBFQQ-UHFFFAOYSA-N	468.450	3.001	70	20	JGID	
O=C(Nc1ccccc1C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)c1ccsc1	218420955	BVAINCQVRIBLTH-UHFFFAOYSA-N	479.587	3.028	70	20	JGID	
C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c2cc(Br)ccc2O1	848945384	OJASNBXFRTYADL-JTQLQIEISA-N	450.307	3.084	70	20	JGID	
Cc1cc(I)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944188	RDPUSXZTOBOITQ-UHFFFAOYSA-N	455.270	3.059	70	20	JGID	
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@H](C)c3ccc(Br)cc3)CC2)C1	217447745	NRBWZAQABUXJJI-FGTMMUONSA-N	465.436	3.342	70	20	JGID	
O=c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cn1Cc1ccccc1Cl	848944584	QBGVEEULSCYJGH-UHFFFAOYSA-N	456.904	3.009	70	20	JGID	
O=C(Nc1ccc(OS(=O)(=O)F)cc1)N(CCO)Cc1ccc(F)c(Br)c1	2088595016	OPDMTSCXRDWTMF-UHFFFAOYSA-N	465.272	3.208	70	20	JGID	
CCOC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)c1c(C)nn(Cc2ccccc2)c1C	865210188	VYGWMQZXJKDXTF-NRFANRHFSA-N	473.526	3.241	70	20	JGID	
Cc1sc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nc1-c1cccc([N+](=O)[O-])c1	848946377	BYJQXMCEPPQPDR-UHFFFAOYSA-N	457.486	3.486	70	20	JGID	
CCOC(=O)Nc1nc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2s1	848944437	JEFKEUSTZRHFHT-UHFFFAOYSA-N	459.502	3.324	70	20	JGID	
C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	1336413735	PQAXJCZJFKEKFI-COJSNBRMSA-N	469.560	3.028	70	20	JGID	
CC(=O)N[C@@H](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Br)cc1	217585395	BYBUDZVJMGHPLA-NRFANRHFSA-N	472.383	3.437	70	20	JGID	
CCc1ccccc1NC(=O)CN1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1	216896249	LWFRXGDWITVSHL-UHFFFAOYSA-N	451.539	3.002	70	20	JGID	
CCOC(=O)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H](C)c1cccc(Br)c1	1336955352	ZWEPKXKLCDJWTK-LLVKDONJSA-N	461.309	3.202	70	20	JGID	
CC(=O)N[C@@H](CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(Br)cc1	216756029	KGNSMSHZJYYNGI-IBGZPJMESA-N	471.355	3.453	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cc1	848948490	XRKOUHNCJZXGED-INIZCTEOSA-N	453.542	3.465	70	20	JGID	
CCN(c1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848947441	OVMFWTXODSXAKO-UHFFFAOYSA-N	498.579	3.361	70	20	JGID	
COc1ccc(NC(=O)C2(NC(=O)c3ccc(S(=O)(=O)F)cc3)CCCC2)cc1OC	865208088	CEWSCMDVVOCYIB-UHFFFAOYSA-N	450.488	3.043	70	20	JGID	
O=C(NC1CC1)c1cc(N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2ccccc12	216802110	SHQKOYTUDOODCT-UHFFFAOYSA-N	468.554	3.167	70	20	JGID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1	1346041061	ZAJZIZIHFNUSBH-UHFFFAOYSA-N	451.520	3.499	70	20	JGID	
Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cc(S(=O)(=O)F)c[nH]3)cc2)cc1C	1354031504	FKBNGZHGNMDJAF-UHFFFAOYSA-N	466.512	3.334	70	20	JGID	
Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cccc(S(=O)(=O)F)c1	1337519615	CIEXSWSMYGCIMR-NRFANRHFSA-N	457.527	3.420	70	20	JGID	
C[C@@H](C(=O)N1CC=C(c2ccc(O)cc2)CC1)N1C(=O)c2ccc(Br)cc2C1=O	218425548	MYGDLKAOWUCSJA-ZDUSSCGKSA-N	455.308	3.455	70	20	JGID	
O=C(Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1)N1CCc2ccccc21	848944336	DPKWFKIIEZTZRJ-UHFFFAOYSA-N	474.535	3.277	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cnc(-c3ccc(Br)s3)nc2)cc1	848945831	DOXFZXGFFUSLFL-UHFFFAOYSA-N	478.346	3.427	70	20	JGID	
Cc1ccc(I)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945904	XGGVTMSUYDPMSK-UHFFFAOYSA-N	455.270	3.059	70	20	JGID	
C[C@H](C(=O)N1CC=C(c2ccc(O)cc2)CC1)N1C(=O)c2ccc(Br)cc2C1=O	218425621	MYGDLKAOWUCSJA-CYBMUJFWSA-N	455.308	3.455	70	20	JGID	
COCCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1Cl	865204538	XRFKIQMWLJKTIL-UHFFFAOYSA-N	470.327	3.324	70	20	JGID	
CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1121095207	OLIYCEJPXGXXFB-ZDUSSCGKSA-N	475.336	3.265	70	20	JGID	
O=C(NCc1ccccc1F)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944271	AYZXFIIXZBQDDX-UHFFFAOYSA-N	466.487	3.215	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cc1	848945638	WVJWRJVFZPKSMZ-UHFFFAOYSA-N	488.316	3.490	70	20	JGID	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3nnn(OCc4cccc5cccnc45)c3c2)C1	217528437	PZMYWHLPADFPOY-IRXDYDNUSA-N	451.552	3.275	70	20	JGID	
O=C(c1ccccc1SCC(=O)N1CCc2ccccc21)N1CCN(CCN2CCCC2)CC1	218374464	GBUWMAPGWQJGHE-UHFFFAOYSA-N	478.662	3.222	70	20	JGID	
O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(S(=O)(=O)F)cc1	865203999	YIJQVNPKOAHXPK-UHFFFAOYSA-N	454.545	3.091	70	20	JGID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1	865206964	CSMIIMDVGCTCES-UHFFFAOYSA-N	461.393	3.234	70	20	JGID	
O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1cc(S(=O)(=O)F)c[nH]1	1348034399	LUZXFLNQKVKIMB-UHFFFAOYSA-N	456.543	3.290	70	20	JGID	
Cc1ccc(-c2noc(CN3CCN(Cc4ccc(S(=O)(=O)C(F)F)cc4)CC3)n2)cc1	218067949	HUXRDMJNHAJSMA-UHFFFAOYSA-N	462.522	3.359	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)cc1	848945068	FTCXCTCFLRLFQG-UHFFFAOYSA-N	452.501	3.323	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1	848945410	PTGJKWQECPIXOF-UHFFFAOYSA-N	475.585	3.393	70	20	JGID	
Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848947110	TYYGFZZVBCOKSP-GOSISDBHSA-N	478.571	3.098	70	20	JGID	
Cc1cc(NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)n(-c2ccc(F)cc2)n1	218441581	JDMHFJQKOCQBSK-UHFFFAOYSA-N	456.421	3.256	70	20	JGID	
O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cc(S(=O)(=O)F)c[nH]1	1338261356	SABCRLVQHCDDPV-UHFFFAOYSA-N	458.439	3.177	70	20	JGID	
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O	216833636	ABXFMMZQXBQXNB-QGZVFWFLSA-N	465.556	3.313	70	20	JGID	
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1	217914806	VJRMDMIOGWYXBT-KSMMKXTCSA-N	466.554	3.424	70	20	JGID	
O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(COc2ccc(Cl)cc2)cc1	848944221	VRQYRZMNUVWYEZ-UHFFFAOYSA-N	498.941	3.201	70	20	JGID	
O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)F)c1	1347809706	NKDOHXUOSFNURB-UHFFFAOYSA-N	456.451	3.256	70	20	JGID	
CC(=O)N[C@H](CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1	216798192	YZNSQDGPMKDMLE-OAQYLSRUSA-N	460.372	3.487	70	20	JGID	
CN(C)S(=O)(=O)c1cc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)ccc1Br	216851851	WCJGCLYCJFSEBK-UHFFFAOYSA-N	465.369	3.335	70	20	JGID	
O=C(Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)c1ccc(S(=O)(=O)F)cc1	865207749	VKBOIWMKBIURNG-UHFFFAOYSA-N	451.483	3.493	70	20	JGID	
O=S(=O)(c1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1)C(F)F	217088590	ICOHHRCQVFYRCJ-UHFFFAOYSA-N	499.388	3.496	70	20	JGID	
O=C(c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N1CCN(CCN2CCCC2)CC1	218376251	MXQPEAAKFMAPEB-UHFFFAOYSA-N	455.912	3.398	70	20	JGID	
C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848948921	MCDWLQFNHLMSKA-LBPRGKRZSA-N	450.435	3.467	70	20	JGID	
C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)ccc2Cl)C[C@@H](C)O1	865204133	GPXFIMDESDVWGF-CHWSQXEVSA-N	490.962	3.048	70	20	JGID	
O=C(Cc1ccccc1)Nc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1F	848944259	ALOUYIGBNBCBCH-UHFFFAOYSA-N	466.487	3.466	70	20	JGID	
Cc1noc2nc(C(C)C)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4F)CC3)c12	217951643	CFUVDZSNIVHHQQ-UHFFFAOYSA-N	482.484	3.219	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc([N+](=O)[O-])cc1I	865204523	WVHJGIUSPGVZEV-UHFFFAOYSA-N	450.185	3.110	70	20	JGID	
CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)N2CCCCC2)CC1)c1ccc(Br)cc1	216768235	GEQARZFZZAYEFQ-FQEVSTJZSA-N	464.404	3.268	70	20	JGID	
CC(=O)N[C@@H](CC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(Br)cc1	216771665	HWESGDBTJCANCO-FQEVSTJZSA-N	458.356	3.001	70	20	JGID	
Cc1cc(C)c(NC(=O)CNC(=O)Cn2cnc3sc4c(c3c2=O)CCCCC4)c(C)c1	216787411	CVPZGGWCAABJPU-UHFFFAOYSA-N	452.580	3.407	70	20	JGID	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc(S(=O)(=O)F)c1	1337666776	GNMMPRCKBKUDCE-UHFFFAOYSA-N	458.533	3.026	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)N(C[C@@H]2CCCO2)c2ccc(Br)cc2)cc1	848944429	IUNNMLNRFXCITC-HNNXBMFYSA-N	478.361	3.482	70	20	JGID	
O=C(Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1cc(S(=O)(=O)F)c[nH]1	1347189258	QEZOCWZAXADHSC-UHFFFAOYSA-N	456.543	3.243	70	20	JGID	
Cc1ccc(Br)cc1S(=O)(=O)N(CCCN1CCOCC1)Cc1ccncc1	216821132	QHTYRQQTZTZRID-UHFFFAOYSA-N	468.417	3.066	70	20	JGID	
C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	1336413740	PQAXJCZJFKEKFI-NUXNZHGMSA-N	469.560	3.028	70	20	JGID	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)c12	218101912	YQMITEDSGUVGMG-UHFFFAOYSA-N	460.513	3.414	70	20	JGID	
COCCOc1c(Cl)cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1Cl	848945217	LSISVQJMYQWBBR-UHFFFAOYSA-N	458.316	3.478	70	20	JGID	
CN(c1ccc(OC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1)S(=O)(=O)c1ccc(Cl)cc1	1337667420	QJVUXHIYGONMEI-UHFFFAOYSA-N	472.903	3.371	70	20	JGID	
C[C@H]1CN([C@H](CNC(=O)c2ccc(S(=O)(=O)F)cc2)c2c(F)cccc2Cl)CCO1	865205007	DLUVECNKSXUQPH-SCLBCKFNSA-N	458.914	3.329	70	20	JGID	
C[C@H]1CN(Cc2csc(NC(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)n2)C[C@H](C)O1	217996461	IVYKKAMPBQBXMM-STQMWFEESA-N	456.490	3.140	70	20	JGID	
COc1cc(OC)cc(-c2cccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)c1	848948684	DEVAPKBPNNCGIG-UHFFFAOYSA-N	452.485	3.225	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(O)c(Br)cc2Br)cc1	848945156	ILZILZFQQBGMOM-UHFFFAOYSA-N	489.138	3.376	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cnc(Br)c(Br)c2)cc1	848947052	PPEWXCYXEHJQGI-UHFFFAOYSA-N	474.127	3.066	70	20	JGID	
O=S(=O)(c1ccc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1)C(F)F	217088059	DMALVRLZKUASQN-UHFFFAOYSA-N	480.558	3.343	70	20	JGID	
Cc1noc2nc(C(C)C)cc(C(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)c12	217947751	QGLGANRRLVLMLM-UHFFFAOYSA-N	456.547	3.046	70	20	JGID	
C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@H](C)c3ccc(Br)cc3)CC2)C1	217447896	NRBWZAQABUXJJI-KZNAEPCWSA-N	465.436	3.342	70	20	JGID	
CCOC(=O)c1sc2nc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)sc2c1C	848948577	NECHTRIGMCXCTJ-UHFFFAOYSA-N	464.543	3.302	70	20	JGID	
C[C@@H]1CN([C@H](CNC(=O)c2cccc(S(=O)(=O)F)c2)c2c(F)cccc2Cl)CCO1	1336922834	WOEYYYLQOJWFLK-FZKQIMNGSA-N	458.914	3.329	70	20	JGID	
O=[S@@](Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1)c1ccccc1	848945422	QFGMTWZHYIQREV-MHZLTWQESA-N	453.538	3.453	70	20	JGID	
O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945697	ZNYWGPSEZSAMSK-OAQYLSRUSA-N	474.535	3.494	70	20	JGID	
O=C(Nc1cc(Br)c(F)cc1N1CCOCC1)c1ccc(S(=O)(=O)F)cc1	865210680	BODOQJVRWZPGAS-UHFFFAOYSA-N	461.284	3.335	70	20	JGID	
CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1	1120786053	AVPWSMQQLSQSSV-NMWGTECJSA-N	467.544	3.190	70	20	JGID	
CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)F)c3)cc2)CC1	1336961222	HEQSFGWEYIZWJX-UHFFFAOYSA-N	462.499	3.012	70	20	JGID	
CC(C)(C)OC(=O)NCc1ccc2c(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)noc2c1	848948623	AFXVQUIMJBGCJI-UHFFFAOYSA-N	485.515	3.312	70	20	JGID	
O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1	1338819091	HFNVDCNOGOEMRC-UHFFFAOYSA-N	475.325	3.015	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)cc1	848944690	VRAHCQQZBBKPCR-UHFFFAOYSA-N	494.544	3.147	70	20	JGID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(CCC(N)=O)n1Cc1ccco1	218782358	IMGLVWAQJWZVLN-MRXNPFEDSA-N	459.597	3.027	70	20	JGID	
Cc1cc(=O)c(C(=O)Nc2ccc(S(=O)(=O)F)cc2)nn1-c1cccc(C(F)(F)F)c1	865204527	XCQQGQITPYXJDJ-UHFFFAOYSA-N	455.389	3.470	70	20	JGID	
CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)Nc1cccc(N2CCCC2)c1	1336949560	OTQUTZBWPZCWQZ-LIRRHRJNSA-N	450.536	3.056	70	20	JGID	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3nnn(OCc4cccc5cccnc45)c3c2)C1	217528272	PZMYWHLPADFPOY-IAGOWNOFSA-N	451.552	3.275	70	20	JGID	
CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1	218759671	CAVOTPYVRUSQFW-IAGOWNOFSA-N	465.566	3.099	70	20	JGID	
O=C(COc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1)Nc1ccccc1	848944629	SCSWNGKRCBSWCV-UHFFFAOYSA-N	464.496	3.163	70	20	JGID	
CC(=O)N[C@H](CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Br)cc1	216767725	URESHVCHMVHZHS-YADHBBJMSA-N	492.389	3.345	70	20	JGID	
Cc1cc(NC(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)n(-c2ccc(F)cc2)n1	217151349	VIIHXJOCAVKNDR-JOCHJYFZSA-N	453.499	3.103	70	20	JGID	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N(C)Cc1ccccc1	865204514	WGUVTPFRAMSAOJ-UHFFFAOYSA-N	492.550	3.426	70	20	JGID	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)F)c1	1337667573	SYRJFDBDLRICMJ-UHFFFAOYSA-N	470.544	3.170	70	20	JGID	
COc1ccccc1N1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC1	216755901	UWKLXARCKITGEC-LJQANCHMSA-N	460.372	3.374	70	20	JGID	
Cc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nn1CCCOc1ccc(F)cc1	848944838	CKHMQRFKVZTSLW-UHFFFAOYSA-N	471.507	3.259	70	20	JGID	
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@@H](C)c3ccc(Br)cc3)CC2)C1	217447816	NRBWZAQABUXJJI-KSZLIROESA-N	465.436	3.342	70	20	JGID	
COCCCCN(c1ccc(Br)cn1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848948026	XVCHEYDNKQHXRK-UHFFFAOYSA-N	481.365	3.124	70	20	JGID	
CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)cc1	216632494	OUNKQGSWMSNBCO-UHFFFAOYSA-N	458.624	3.406	70	20	JGID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1	865206730	SFMWCLPUSXSFBH-UHFFFAOYSA-N	489.529	3.218	70	20	JGID	
O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	217098492	IPPCVXUSOFYBNB-HSZRJFAPSA-N	459.575	3.254	70	20	JGID	
O=C(CCSCCC(=O)Nc1ccc(S(=O)(=O)F)cc1)Nc1ccc(S(=O)(=O)F)cc1	865204408	RSNMGUIBAGGYNZ-UHFFFAOYSA-N	492.547	3.094	70	20	JGID	
O=C(Nc1cc(Br)c(F)cc1N1CCOCC1)c1cccc(S(=O)(=O)F)c1	1337360196	BUMOIEFXRSSZMW-UHFFFAOYSA-N	461.284	3.335	70	20	JGID	
CC(=O)N[C@@H](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Br)cc1	216769534	IUJZLWOIHZGGBP-HNNXBMFYSA-N	472.261	3.189	70	20	JGID	
CC(=O)N[C@H](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Br)cc1	216769579	IUJZLWOIHZGGBP-OAHLLOKOSA-N	472.261	3.189	70	20	JGID	
CN(Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1)Cc1cscn1	848947114	UBGCRHXDFJFJOY-UHFFFAOYSA-N	455.558	3.234	70	20	JGID	
NC(=O)c1oc2ccccc2c1NC(=O)CCn1cnc2ccc(Br)cc2c1=O	218141983	CFWBIJIFXDYCME-UHFFFAOYSA-N	455.268	3.033	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1	865204459	UMMHTFURVDGBER-UHFFFAOYSA-N	480.564	3.406	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CCOc3c(Cl)cc(Br)cc32)cc1	848946302	XTLGBXDUFXIZII-UHFFFAOYSA-N	470.725	3.348	70	20	JGID	
O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)F)cc1	865205028	FAMAQFPFSVQIAN-KRWDZBQOSA-N	458.433	3.457	70	20	JGID	
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1354887067	YVWKCCVCSSKQIP-SJLPKXTDSA-N	469.510	3.335	70	20	JGID	
O=C(Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1)Nc1ccccc1F	848945209	LJIMKEOOYOZMFE-UHFFFAOYSA-N	466.487	3.466	70	20	JGID	
Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1NS(=O)(=O)c1ccccc1	848944576	PSIRKGDSWWIMGI-UHFFFAOYSA-N	484.552	3.255	70	20	JGID	
COc1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC	1337667396	PIVDIEFACMCWGA-BETUJISGSA-N	467.519	3.346	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cc1	848945101	KCIZBAVFJKVVGI-UHFFFAOYSA-N	488.360	3.347	70	20	JGID	
O=C(Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(C(F)(F)F)c1)[C@H]1CCCO1	848944257	AIGLNXRXBLONNS-MRXNPFEDSA-N	496.460	3.282	70	20	JGID	
CC(=O)N[C@@H](CC(=O)Nc1cc(C(N)=O)ccc1N1CCCC1)c1ccc(Br)cc1	218023756	FDELLUNPZSJUCF-SFHVURJKSA-N	473.371	3.354	70	20	JGID	
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1	216833784	OTYYAZPIWWFNPW-DEOSSOPVSA-N	453.498	3.434	70	20	JGID	
CCCN(CC(=O)Nc1ccccc1C)C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1	217413728	RRXRHMSJLZGBSR-UHFFFAOYSA-N	463.582	3.152	70	20	JGID	
C[C@H](Oc1cccc(Cl)c1)c1nnc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)o1	848947692	DQZVGORUQKEWRM-JTQLQIEISA-N	461.880	3.322	70	20	JGID	
CCOc1ccc(C(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945230	MHFMFMBYEPIKKU-UHFFFAOYSA-N	470.544	3.170	70	20	JGID	
Cc1oncc1C(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944755	YMJKDIFGJJZQAC-UHFFFAOYSA-N	473.891	3.348	70	20	JGID	
CS(=O)(=O)CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	865204348	PHHZQGAQLYVPAR-AWEZNQCLSA-N	492.388	3.339	70	20	JGID	
CC(=O)N[C@@H](CC(=O)N1CCN(CCc2ccccc2)CC1)c1ccc(Br)cc1	217087102	LQXAWGGGCDHCSX-QFIPXVFZSA-N	458.400	3.403	70	20	JGID	
CCN1CCC(N(c2ccccc2OC)S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1	848947650	BLLWVLXSYNFQFH-UHFFFAOYSA-N	456.561	3.033	70	20	JGID	
COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)c1	848946596	PDXOPMCMERBDOA-UHFFFAOYSA-N	458.514	3.286	70	20	JGID	
O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cccc(S(=O)(=O)F)c1	1120944135	HOAMWQAHODCIIG-SFHVURJKSA-N	460.449	3.167	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cc1	848948491	XRKOUHNCJZXGED-MRXNPFEDSA-N	453.542	3.465	70	20	JGID	
CN(CCc1ccccc1)C(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945180	KSGPOSNQTAUQSY-UHFFFAOYSA-N	490.578	3.485	70	20	JGID	
C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c2cc(Br)ccc2O1	848945386	OJASNBXFRTYADL-SNVBAGLBSA-N	450.307	3.084	70	20	JGID	
O=C(Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2)c1cc(S(=O)(=O)F)c[nH]1	1123615859	AFKGAEKEBWKWOZ-UHFFFAOYSA-N	451.457	3.010	70	20	JGID	
CCCCn1c(SCc2nnc3n(C)c(=O)c4ccccc4n23)nnc1[C@H](CC)N(C)C	216659973	YCNPVUHKIDQEBL-INIZCTEOSA-N	454.604	3.278	70	20	JGID	
COC(=O)c1cc(Br)cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1C	848945872	FFPBEYUNSNSEPG-UHFFFAOYSA-N	466.306	3.003	70	20	JGID	
CC(=O)N1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3C)n2Cc2ccco2)CC1	218673862	BXVHOQKEBTWXHF-QGZVFWFLSA-N	453.568	3.066	70	20	JGID	
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](c1cccc(F)c1)c1nccn1C	218179464	HVUYBZVBNLAZBC-JOCHJYFZSA-N	482.537	3.459	70	20	JGID	
Cc1ccc(-c2csc3ncn(CCC(=O)N4CCN(CCN5CCCC5)CC4)c(=O)c23)cc1	216879542	XYRUDAVFEVSOCZ-UHFFFAOYSA-N	479.650	3.064	70	20	JGID	
CC(C)(C)OC(=O)c1c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)sc2c1CCOC2	848948935	MOZCCTIJXSECSN-UHFFFAOYSA-N	477.557	3.235	70	20	JGID	
CN(C(=O)Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1)c1ccccc1	848944738	XTKAZUJHNYKHBA-UHFFFAOYSA-N	462.524	3.351	70	20	JGID	
C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	848944291	BXPACPWHXSBYKP-GASCZTMLSA-N	454.545	3.264	70	20	JGID	
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)n(-c2ccccn2)n1	216742784	RXDMHQWSUBPGET-IAGOWNOFSA-N	453.568	3.495	70	20	JGID	
O=S(=O)(c1ccc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1)C(F)F	217089107	GRAOJXFAPKSYLS-UHFFFAOYSA-N	499.388	3.496	70	20	JGID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(Cc2cc(Br)ccc2F)CC1	1338068115	KVVULELULBOIJZ-UHFFFAOYSA-N	459.312	3.204	70	20	JGID	
CC(C)(C)OC(=O)N1CCC(OC(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)cc2)CC1	1354470107	VRMHYYZMMPOTIX-UHFFFAOYSA-N	495.529	3.482	70	20	JGID	
CC[C@@H](C)[C@@H](NC(=O)c1cc(Br)ccc1I)C(=O)OC	217431156	WJFZHCNQEHHHLT-PRHODGIISA-N	454.102	3.371	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)cc1	848946500	JZUYTSAHPHUODB-UHFFFAOYSA-N	463.434	3.409	70	20	JGID	
Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848947111	TYYGFZZVBCOKSP-SFHVURJKSA-N	478.571	3.098	70	20	JGID	
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)ccc2C)cc1	1123469109	SGFGNJKPUGWVSF-UHFFFAOYSA-N	481.527	3.433	70	20	JGID	
CC(=O)N[C@@H](CC(=O)NC1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)cc1	218294337	RIEYBUBHWZZPIG-SFHVURJKSA-N	462.344	3.030	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc1	848947639	BCHHNDFDZQECCT-UHFFFAOYSA-N	451.885	3.457	70	20	JGID	
O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)F)cc1	865205029	FAMAQFPFSVQIAN-QGZVFWFLSA-N	458.433	3.457	70	20	JGID	
O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(S(=O)(=O)F)cc1	865209428	SRSAIQBJYGLUCB-QGZVFWFLSA-N	458.433	3.285	70	20	JGID	
CC(=O)N[C@@H](CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1	216798152	YZNSQDGPMKDMLE-NRFANRHFSA-N	460.372	3.487	70	20	JGID	
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O	216834335	CCWBOBCZCCERDX-LJQANCHMSA-N	471.435	3.300	70	20	JGID	
C[C@@H](Oc1cccc(Cl)c1)c1nnc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)o1	848947693	DQZVGORUQKEWRM-SNVBAGLBSA-N	461.880	3.322	70	20	JGID	
CCOC(=O)c1cc(C(F)(F)F)sc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848948013	WSYOTXRWQJHEOS-UHFFFAOYSA-N	461.436	3.403	70	20	JGID	
C[C@@H]1CN(Cc2csc(NC(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)n2)C[C@@H](C)O1	217996286	IVYKKAMPBQBXMM-CHWSQXEVSA-N	456.490	3.140	70	20	JGID	
COc1ccc(Cn2ncc3cc(C(=O)Nc4ccc(S(=O)(=O)F)cc4)cnc32)c(OC)c1	865204586	ZPUURFXKPDPLLJ-UHFFFAOYSA-N	470.482	3.407	70	20	JGID	
O=C(CCn1cnc2ccc(Br)cc2c1=O)Oc1cccc(N2CCCC2=O)c1	218142425	RJDHXRJNTPXXJA-UHFFFAOYSA-N	456.296	3.282	70	20	JGID	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C	865204331	OXQHLQNDKWBAJE-KDOFPFPSSA-N	484.571	3.463	70	20	JGID	
COc1ccc(-c2noc(CN3CCN(Cc4ccc(S(=O)(=O)C(F)F)cc4)CC3)n2)cc1	218068091	ZKUMWMWNCORUDA-UHFFFAOYSA-N	478.521	3.059	70	20	JGID	
CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)F)cc3)cc2)CC1	865207935	RUNGCFRXKOEPTG-UHFFFAOYSA-N	462.499	3.012	70	20	JGID	
CC(C)(C)OC(=O)NCCOc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848945446	QWKGCGGRIZIVCI-UHFFFAOYSA-N	474.532	3.049	70	20	JGID	
Cc1noc(C)c1S(=O)(=O)N1CCCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1	216904830	DYWJNZOKRUMZJS-UHFFFAOYSA-N	477.612	3.178	70	20	JGID	
O=C(c1cc(Br)cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1)N1CCCC1	848945293	LHGHYNDLONADSZ-UHFFFAOYSA-N	491.360	3.144	70	20	JGID	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(S(=O)(=O)F)cc2)c1	865206175	UUBPQUZCIUASJL-UHFFFAOYSA-N	483.587	3.228	70	20	JGID	
Cn1cnnc1Sc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1Cl	848944516	MNHQRXODRLJBHR-UHFFFAOYSA-N	462.937	3.079	70	20	JGID	
COC(=O)c1ccc(Br)c(C)c1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848948312	NQHFCDASNMOUQW-UHFFFAOYSA-N	466.306	3.003	70	20	JGID	
CCOC(=O)c1cnn(-c2ccc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)cc2)c1C(F)(F)F	1123467797	HTIYBGNELMQZFQ-UHFFFAOYSA-N	474.392	3.306	70	20	JGID	
O=C(Nc1cc(Br)ccc1I)c1cc(S(=O)(=O)F)c[nH]1	1336923030	ZLRBSAWXDBORBT-UHFFFAOYSA-N	473.061	3.292	70	20	JGID	
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	865203903	BKRNWHQSYGJFCI-UHFFFAOYSA-N	490.534	3.357	70	20	JGID	
CC[C@@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)Nc1cccc(N2CCCC2)c1	1336949557	OTQUTZBWPZCWQZ-KUHUBIRLSA-N	450.536	3.056	70	20	JGID	
CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c1	1339472937	XATATNVQKUTQDI-NMWGTECJSA-N	467.544	3.190	70	20	JGID	
O=C(c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1)N1CCc2ccccc21	848944343	FAUFZLNAJBJGKB-UHFFFAOYSA-N	460.508	3.349	70	20	JGID	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)F)cc3)CC2)c(C)c1	865204325	OMFHIXFTUQNFKL-UHFFFAOYSA-N	454.545	3.001	70	20	JGID	
COc1cc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c(C(=O)N2CCCCC2)cc1OC	865204897	ABYPYIOMSVVTIA-UHFFFAOYSA-N	450.488	3.240	70	20	JGID	
COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)c3ccc(S(=O)(=O)F)cc3)c2C)c1	865209913	KWNOAEKIUNOPHR-NRFANRHFSA-N	473.526	3.370	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1	848946548	MSPGTHZGJZJNKG-UHFFFAOYSA-N	453.542	3.165	70	20	JGID	
COc1cccc(N2CCN(C(=O)C[C@H](NC(C)=O)c3ccc(Br)cc3)CC2)c1	216766958	PQKSAUUFCJLSRE-NRFANRHFSA-N	460.372	3.374	70	20	JGID	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	865204075	DROKWWUMWOBCIH-GASCZTMLSA-N	484.571	3.272	70	20	JGID	
COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)cc2)cc1	865204283	MWLSLMUQAKMPAS-UHFFFAOYSA-N	456.495	3.465	70	20	JGID	
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C	218179553	HVUYBZVBNLAZBC-QFIPXVFZSA-N	482.537	3.459	70	20	JGID	
Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)Nc1ccccc1	848944310	CMKVUHSLSRYLQE-UHFFFAOYSA-N	484.552	3.255	70	20	JGID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(CCC(N)=O)n1Cc1ccco1	218782450	IMGLVWAQJWZVLN-INIZCTEOSA-N	459.597	3.027	70	20	JGID	
COc1ccc([C@H](CNC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)N2CCCC2)cc1	216918599	XKYFATKCXAHCNR-DEOSSOPVSA-N	462.598	3.007	70	20	JGID	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	865204077	DROKWWUMWOBCIH-HUUCEWRRSA-N	484.571	3.272	70	20	JGID	
CC[C@@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)Nc1cccc(N2CCCC2)c1	1336949521	OTQUTZBWPZCWQZ-AUUYWEPGSA-N	450.536	3.056	70	20	JGID	
CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)Nc1ccc(S(=O)(=O)F)cc1	865204218	KBMFLZKUBFJFAA-GOSISDBHSA-N	482.331	3.275	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1	865204353	PHSDAYXLPBYOBA-ZDUSSCGKSA-N	456.442	3.437	70	20	JGID	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c2ccccc21	848946335	ZRAIPUVKGNZFBE-UHFFFAOYSA-N	456.517	3.295	70	20	JGID	
COC(=O)c1cc(CN(C)C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)oc1C	217075002	HHQXPNSVUAPZQO-SFHVURJKSA-N	451.317	3.363	70	20	JGID	
CC(C)(C)OC(=O)N1CCc2c(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cccc21	848945649	XGHOOIJEMKCOTB-UHFFFAOYSA-N	456.517	3.443	70	20	JGID	
C[C@@H](CCc1ccc(I)cc1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1121184818	IUGUJELJBVQNHD-JTQLQIEISA-N	450.273	3.029	70	20	JGID	
Cc1cc(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)n(-c2ccc(F)cc2)n1	217362603	WXUBHZXKCPHHJC-UHFFFAOYSA-N	457.259	3.317	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2nc3c(s2)CCN(Cc2ccccc2)C3)cc1	848946555	NDHZOMWUQJUODC-UHFFFAOYSA-N	467.569	3.160	70	20	JGID	
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](c2cccc(F)c2)C1	1262788197	VJAHBDFAOJVVSY-QGZVFWFLSA-N	455.483	3.246	70	20	JGID	
Cc1ccn2cc(-c3ccc(NC(=O)Cn4c(=O)ccn(Cc5ccccc5)c4=O)cc3)nc2c1	217568409	NABVIEKUJAUFII-UHFFFAOYSA-N	465.513	3.320	70	20	JGID	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2C1	848944263	APIUHOTYPYKNSQ-ZDUSSCGKSA-N	474.601	3.181	70	20	JGID	
COc1cc(I)c(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1OC	865204504	WAYNEPLOIMRRNN-UHFFFAOYSA-N	465.240	3.219	70	20	JGID	
CCOC(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)c1c(C)nn(-c2ccc(F)cc2)c1C	1336920358	IEQYEVRZWVLXMN-HXUWFJFHSA-N	477.489	3.321	70	20	JGID	
O=C(Nc1ccccc1)[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945696	ZNYWGPSEZSAMSK-NRFANRHFSA-N	474.535	3.494	70	20	JGID	
C[C@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)ccc2Cl)C[C@H](C)O1	865204134	GPXFIMDESDVWGF-STQMWFEESA-N	490.962	3.048	70	20	JGID	
CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	865206418	FERQDCXCIDOEAF-NMWGTECJSA-N	467.544	3.190	70	20	JGID	
COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)c3cccc(S(=O)(=O)F)c3)c2C)c1	1336954387	PLYPPPJAKWZDIM-NRFANRHFSA-N	473.526	3.370	70	20	JGID	
O=C(Nc1ccc(Br)c(I)c1)c1cc(S(=O)(=O)F)c[nH]1	1346291635	SUHLJTSOAGLHSW-UHFFFAOYSA-N	473.061	3.292	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cc(I)cc([N+](=O)[O-])c1	865205256	VICXDUCTAZUVMV-UHFFFAOYSA-N	450.185	3.110	70	20	JGID	
O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cc(S(=O)(=O)F)c[nH]1	1123469147	UJZABVGNDIBHNP-UHFFFAOYSA-N	457.892	3.379	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1	848945579	VCBNVSOBXSSAJQ-UHFFFAOYSA-N	469.537	3.120	70	20	JGID	
COC(=O)c1cc(CN(C)C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)oc1C	217074981	HHQXPNSVUAPZQO-GOSISDBHSA-N	451.317	3.363	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3Br)c2)cc1	848945613	VQWRHDWLOATVDL-UHFFFAOYSA-N	460.306	3.094	70	20	JGID	
Cc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n([C@@H]2CCN(Cc3ccccc3)C2)n1	848947191	ZCUYUAZTROTEET-GOSISDBHSA-N	478.571	3.098	70	20	JGID	
CCCC(=O)Nc1nc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2s1	848944311	CORGXDOKZUEPSU-UHFFFAOYSA-N	457.530	3.494	70	20	JGID	
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1	217914903	VJRMDMIOGWYXBT-NJSLBKSFSA-N	466.554	3.424	70	20	JGID	
O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(C[C@H](O)COc2ccccc2Cl)CC1	217412256	ARLIBIFBQCLPFG-AWEZNQCLSA-N	479.813	3.393	70	20	JGID	
Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n(-c2ccc(F)cc2)n1	217367183	BAUSFLRTMFXWAQ-MRXNPFEDSA-N	460.506	3.498	70	20	JGID	
CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c1	865206131	XONBJEFEWUMWMP-NMWGTECJSA-N	467.544	3.190	70	20	JGID	
CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1S(=O)(=O)N1CCCCC1	1336412233	CAWJIFNJZAUHPS-UHFFFAOYSA-N	470.544	3.170	70	20	JGID	
O=S(=O)(c1ccc(CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1)C(F)F	217094362	RELKOWQAHYPHIF-UHFFFAOYSA-N	499.388	3.496	70	20	JGID	
CCOC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)c1c(C)nn(Cc2ccccc2)c1C	865210189	VYGWMQZXJKDXTF-OAQYLSRUSA-N	473.526	3.241	70	20	JGID	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@H](O)c3cccc(C(F)(F)F)c3)C2)s1	216998056	UOBLHQUJSFKBJJ-DOTOQJQBSA-N	476.542	3.326	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CCOc3cc(Br)c(Cl)cc32)cc1	848944841	CPFGYCMBQLVPGT-UHFFFAOYSA-N	470.725	3.348	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)c1cc(S(=O)(=O)F)c[nH]1	1518681209	ZCZYVWRANFYDEN-UHFFFAOYSA-N	459.427	3.004	70	20	JGID	
CCCCN(C(=O)c1cc(C(C)C)nc2onc(C)c12)c1c(N)n(CCCC)c(=O)[nH]c1=O	217943252	GOOMXGLGRSVFPL-UHFFFAOYSA-N	456.547	3.334	70	20	JGID	
CC(C)(CNC(=O)c1cccc(S(=O)(=O)F)c1)S(=O)(=O)c1ccc(Br)cc1	1121032626	VESJUJNTKVABIN-UHFFFAOYSA-N	478.361	3.090	70	20	JGID	
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)F)cc3)CC2)c(C)c1	865204355	PIQGYJUNRZZQRX-UHFFFAOYSA-N	468.572	3.309	70	20	JGID	
CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)n2)CC1	1521438020	NPCSCPSCCHIPCT-UHFFFAOYSA-N	458.537	3.496	70	20	JGID	
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSc1nnc(-c2cccs2)n1C	217070612	GXMNPXFFXWUVCS-UHFFFAOYSA-N	451.524	3.401	70	20	JGID	
CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)F)cc3)nc2)CC1	865207877	YENODVFEAYDONJ-UHFFFAOYSA-N	464.519	3.049	70	20	JGID	
CC(=O)N[C@H](CC(=O)N1CCN(CCOc2ccccc2)CC1)c1ccc(Br)cc1	216770692	YCHQTTKOMZSGBU-JOCHJYFZSA-N	474.399	3.240	70	20	JGID	
NC(=O)c1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848945192	KWKVITFBNNSANG-UHFFFAOYSA-N	450.469	3.037	70	20	JGID	
Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)F)cc1	865209784	GYNFDLQQYGYMOX-NRFANRHFSA-N	457.527	3.420	70	20	JGID	
O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	217098512	IPPCVXUSOFYBNB-QHCPKHFHSA-N	459.575	3.254	70	20	JGID	
Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)cc1	848944048	CPSWUAYRKQHQKD-UHFFFAOYSA-N	484.552	3.255	70	20	JGID	
O=C(Nc1cccc(CO)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1	218287548	SXZRLHFRJJGKNZ-CYBMUJFWSA-N	459.387	3.042	70	20	JGID	
CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)c2)c1C(F)(F)F	1337667350	OFADAOJDLFWERZ-UHFFFAOYSA-N	474.392	3.306	70	20	JGID	
O=C(CNC(=O)c1ccc(Br)cc1)Nc1cccc(Cl)c1N1CCOCC1	218290965	BORPJFIOZBIZSR-UHFFFAOYSA-N	452.736	3.308	70	20	JGID	
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	865204053	CRAKRCMOYPKPNC-OAHLLOKOSA-N	454.545	3.469	70	20	JGID	
O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc(S(=O)(=O)F)c[nH]1	1346209285	PUMWISGUYZESIB-UHFFFAOYSA-N	459.427	3.004	70	20	JGID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1	1336413090	KJBPKCSVEHIMGR-UHFFFAOYSA-N	451.520	3.499	70	20	JGID	
COc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944095	IYKBJKNDNAOUHN-UHFFFAOYSA-N	464.496	3.407	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(Br)ccc2-n2cccn2)cc1	848945646	XCEQLTJEYZQCQD-UHFFFAOYSA-N	460.306	3.094	70	20	JGID	
CS(=O)(=O)c1cccc([C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c2ccc(Cl)cc2)c1	1348646255	FOSWUFOACFCTHO-GOSISDBHSA-N	470.931	3.249	70	20	JGID	
O=S(=O)(Cc1ccccc1)Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944828	CAIKVSVEDAXFLB-UHFFFAOYSA-N	483.564	3.261	70	20	JGID	
O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(C[C@H](O)COc2ccccc2Cl)CC1	217413134	MYICKHWXDPWFSF-AWEZNQCLSA-N	479.813	3.393	70	20	JGID	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2C1	848944262	APIUHOTYPYKNSQ-CYBMUJFWSA-N	474.601	3.181	70	20	JGID	
CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	865204349	PHHZQGAQLYVPAR-CQSZACIVSA-N	492.388	3.339	70	20	JGID	
Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	865204638	BTDMYTBYDXNVLN-UHFFFAOYSA-N	464.212	3.418	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1	848944567	PLZFNHGSETWTKD-UHFFFAOYSA-N	473.500	3.118	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br	865204486	VOBXOIIRXOMTDL-UHFFFAOYSA-N	491.360	3.144	70	20	JGID	
O=[S@](Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1)c1ccccc1	848945421	QFGMTWZHYIQREV-HHHXNRCGSA-N	453.538	3.453	70	20	JGID	
Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347339098	CFVULRLEOHOSSC-UHFFFAOYSA-N	455.464	3.174	70	20	JGID	
CCOC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)c1c(C)nn(-c2ccc(F)cc2)c1C	865211198	ZRJKIUJNURWFKL-FQEVSTJZSA-N	477.489	3.321	70	20	JGID	
CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1121095202	OLIYCEJPXGXXFB-CYBMUJFWSA-N	475.336	3.265	70	20	JGID	
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O	216834301	CCWBOBCZCCERDX-IBGZPJMESA-N	471.435	3.300	70	20	JGID	
COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944179	QNEXSTLRWIFYHF-UHFFFAOYSA-N	457.423	3.190	70	20	JGID	
CC(C)(C)OC(=O)Nc1cc2c(cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)OCO2	848947011	NOEHLXFPUBDBJX-UHFFFAOYSA-N	474.488	3.221	70	20	JGID	
COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4cc(S(=O)(=O)F)c[nH]4)cc32)c1	1348707302	LCFZPLVXHWJMPI-UHFFFAOYSA-N	457.483	3.066	70	20	JGID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O	217160470	MBMPYQWCVRGWTA-SFHVURJKSA-N	495.634	3.150	70	20	JGID	
NC(=O)c1cccc(Oc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)c1	848945059	JHJKIYILVFKWKM-UHFFFAOYSA-N	450.469	3.037	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(Br)cnc2OCC(F)(F)F)cc1	848945228	MEEUNJUHPDWUBZ-UHFFFAOYSA-N	493.254	3.244	70	20	JGID	
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944603	QXFWXIOZEPMLDE-UHFFFAOYSA-N	454.545	3.326	70	20	JGID	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	865204424	SJEGBWNAZUEPBL-UHFFFAOYSA-N	478.523	3.431	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1	865204460	UNJHOVZMFGIJQZ-INIZCTEOSA-N	455.305	3.351	70	20	JGID	
O=C(c1ccc(Cl)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1)N1CCCCC1	848945622	WBTMDXOEPJNAGC-UHFFFAOYSA-N	460.936	3.425	70	20	JGID	
COc1ccccc1OCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944704	WFVFIVOGBCXHAJ-UHFFFAOYSA-N	494.522	3.172	70	20	JGID	
O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)c1cc(-c2ccccc2)nc2ccccc12	848944153	NNPYZMYEOAXODY-UHFFFAOYSA-N	485.518	3.183	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cc1	848947722	FRIIKPKMKAZIAW-UHFFFAOYSA-N	478.346	3.427	70	20	JGID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	1336413688	OICTWTHHJRJYBW-UHFFFAOYSA-N	451.829	3.374	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2I)cc1	848945659	XPIQREQLKIAGMI-UHFFFAOYSA-N	477.223	3.028	70	20	JGID	
COc1cc(NC(=O)c2cccc(S(=O)(=O)F)c2)c(C(=O)N2CCCCC2)cc1OC	1354031927	MYZRANPENJLQJQ-UHFFFAOYSA-N	450.488	3.240	70	20	JGID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1	1346290572	JGDXNKLLYUZZRX-UHFFFAOYSA-N	484.269	3.417	70	20	JGID	
O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H](O)COc2ccccc2Cl)CC1	217413056	MYICKHWXDPWFSF-CQSZACIVSA-N	479.813	3.393	70	20	JGID	
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	848944293	BXPACPWHXSBYKP-HUUCEWRRSA-N	454.545	3.264	70	20	JGID	
CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)sc2C)s1	848946733	XFIVWYXQEJPUCM-UHFFFAOYSA-N	489.597	3.275	70	20	JGID	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H](O)c3cccc(C(F)(F)F)c3)C2)s1	216998044	UOBLHQUJSFKBJJ-NVXWUHKLSA-N	476.542	3.326	70	20	JGID	
O=C(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944626	RZPNFBKFNAJUPK-UHFFFAOYSA-N	462.524	3.118	70	20	JGID	
O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)c1cc(S(=O)(=O)F)c[nH]1	1123469155	UQNRYBNKDXLQGW-RZNTYIFUSA-N	492.337	3.446	70	20	JGID	
CN1CCC(N(C)C(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)CC1	216875092	DZVPPFMUWFDSDP-UHFFFAOYSA-N	462.660	3.018	70	20	JGID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1	865203720	MFTOGFJRKWRKBM-UHFFFAOYSA-N	460.508	3.349	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)cc1	848944799	AQKYLAIAPXXWTF-UHFFFAOYSA-N	469.537	3.120	70	20	JGID	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3I)CC2)cc1	217273190	LSDPPPAOPNZREJ-UHFFFAOYSA-N	485.347	3.138	70	20	JGID	
COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1OCc1cn2ccccc2n1	848944702	WEMGEHRXUSFIOY-UHFFFAOYSA-N	491.522	3.381	70	20	JGID	
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1S(=O)(=O)N1CCCCCC1	1120784779	DWUQLRKVJIHUHK-UHFFFAOYSA-N	454.545	3.470	70	20	JGID	
CC(C)(C)OC(=O)N1CCOc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2C1	848949050	TYZQZBUKAXHZEV-UHFFFAOYSA-N	486.543	3.275	70	20	JGID	
CS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	216802173	ZMRIZOROIXBGMP-UHFFFAOYSA-N	482.933	3.273	70	20	JGID	
COc1ccc2c(c1)c(CC(=O)NCCN1CCN(C)CC1)c(C)n2C(=O)c1ccc(Cl)cc1	217060032	VATWXXSUTYCKGK-UHFFFAOYSA-N	483.012	3.206	70	20	JGID	
O=C(Nc1ccc(Cl)cn1)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848945092	JYOGCNKAWOOPNK-UHFFFAOYSA-N	469.903	3.446	70	20	JGID	
Cc1ccc(S(=O)(=O)N2CCN(c3cc(C(=O)NC4CC4)c4ccccc4n3)CC2)cc1C	216800337	LNPVIQCERYMWDE-UHFFFAOYSA-N	464.591	3.255	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)cc1	848946038	JIKNBHXJFWNTPS-UHFFFAOYSA-N	461.558	3.252	70	20	JGID	
Cc1cc(CNC(=O)OC(C)(C)C)cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848948793	HTQGEFOHSVXUBV-UHFFFAOYSA-N	458.533	3.479	70	20	JGID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1	848948718	FQPNTJITVKALIM-UHFFFAOYSA-N	463.921	3.230	70	20	JGID	
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	865204052	CRAKRCMOYPKPNC-HNNXBMFYSA-N	454.545	3.469	70	20	JGID	
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1	217098081	GQIVRRKZHQLHJS-XMMPIXPASA-N	489.601	3.262	70	20	JGID	
CCOC(=O)Nc1ccc(Br)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945458	RNKIFCWFNIMRGR-UHFFFAOYSA-N	481.321	3.477	70	20	JGID	
CN(c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1)S(=O)(=O)c1cccs1	865204275	MMIZHJHNEQYWSR-UHFFFAOYSA-N	484.552	3.249	70	20	JGID	
CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(S(=O)(=O)F)cc1	865204267	MAZBOZYVWJHCTI-UHFFFAOYSA-N	457.277	3.395	70	20	JGID