smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCc1ccccc1N(CC(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O	218245104	LCPZPVZNLAWJCL-QGZVFWFLSA-N	388.533	3.153	70	40	GGIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1NS(C)(=O)=O	218397418	JBDXWRFCDJJIJA-QGZVFWFLSA-N	388.489	3.399	70	40	GGIB	
O=C1O[C@]2(CCCN(C(=O)c3cc(-c4cccs4)[nH]n3)C2)c2ccccc21	217595317	PZOHVWWUYOLGBS-FQEVSTJZSA-N	379.441	3.440	70	40	GGIB	
COc1cccc2cc(C(=O)NC[C@@](C)(O)c3cc4ccccc4o3)c(=O)oc12	217991229	BPQNJMVYGMJIEC-JOCHJYFZSA-N	393.395	3.185	70	40	GGIB	
CCOc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)c1cc2ccccc2s1	217519322	VSLJKFZWDCRJIS-OAQYLSRUSA-N	398.484	3.262	70	40	GGIB	
O=C(N[C@H](CN1C(=O)COC1=O)c1ccccc1)c1ccc(C(F)(F)F)cc1	217980901	XIOVTQBZSFVQKO-OAHLLOKOSA-N	392.333	3.155	70	40	GGIB	
Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1NS(C)(=O)=O	218586631	SOOJQGQJKHIGBE-UHFFFAOYSA-N	380.897	3.383	70	40	GGIB	
Cc1cncc(N2CCC(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)CC2)n1	100041665	XMSPFNWTQCINJH-UHFFFAOYSA-N	387.308	3.303	70	40	GGIB	
O=S(=O)(Nc1cnn(CC2CCOCC2)c1)c1cc(Cl)ccc1Cl	218245613	RCHVTOPEYCCTRK-UHFFFAOYSA-N	390.292	3.417	70	40	GGIB	
Cc1noc(-c2c(NC(=O)COc3ccccc3F)sc3c2CCOC3)n1	217963798	BETNOEWNGNZWMH-UHFFFAOYSA-N	389.408	3.336	70	40	GGIB	
COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(F)cc3)n2)c1	218706546	PLXDPTWWKODJSJ-CYBMUJFWSA-N	385.395	3.310	70	40	GGIB	
COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1c[nH]c2ccccc12	217953847	IZOFLBBINLSXJG-FZKQIMNGSA-N	382.391	3.142	70	40	GGIB	
COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(F)cc3)n2)cc1	218706803	XDCJTWAIHQXDHY-ZDUSSCGKSA-N	385.395	3.310	70	40	GGIB	
Cc1ccccc1NC(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217849842	QJFZPZBOMJHXQI-OAHLLOKOSA-N	378.436	3.322	70	40	GGIB	
CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1	218752777	WUCQQFQWUSNHLP-AUUYWEPGSA-N	391.489	3.134	70	40	GGIB	
CCCCOc1ccc(NC(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)cc1	217736214	NZSCWYNJBRMXMP-OALUTQOASA-N	397.475	3.033	70	40	GGIB	
C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O	218455223	KOUYHHNVVSIODG-HZPDHXFCSA-N	392.496	3.118	70	40	GGIB	
COCCN1C(=O)CS[C@@H]1c1ccn(-c2ccccc2Br)c1	216680247	HJHAZZOEJQPEBO-MRXNPFEDSA-N	381.295	3.460	70	40	GGIB	
O=C(c1cc(-c2cccs2)[nH]n1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217663815	WJTSPXDBKWQIRP-HNNXBMFYSA-N	390.472	3.484	70	40	GGIB	
COc1ccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccccc3)nn2)cc1	216682851	SSVYDOLRDLCYES-HXUWFJFHSA-N	380.473	3.109	70	40	GGIB	
O=C(c1cc2ccccc2oc1=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217656955	KJUVBYNSRKNIKV-QGZVFWFLSA-N	386.411	3.139	70	40	GGIB	
Cc1cc(S(=O)(=O)NCCSC2CCOCC2)c(Cl)cc1Cl	217710828	DOGVYQRPWBKRNN-UHFFFAOYSA-N	384.350	3.492	70	40	GGIB	
CC[C@@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc(S(C)(=O)=O)cc1	218696343	RQCIPUWIISOLNM-LJQANCHMSA-N	375.490	3.353	70	40	GGIB	
Cc1cc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)nn1-c1ccc(F)cc1F	159437030	OBKXCMPJLWWPQF-UHFFFAOYSA-N	398.348	3.431	70	40	GGIB	
COc1ccc(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1OC	216930460	JNMRORKBGOGVGP-UHFFFAOYSA-N	384.476	3.358	70	40	GGIB	
O=C(c1ccc(-c2ccsc2)cc1)N1Cc2cnc(N3CCOCC3)nc2C1	217610175	QRLJOVHHBFOSTL-UHFFFAOYSA-N	392.484	3.198	70	40	GGIB	
CCOC[C@@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1	218615367	UFYMSYOKFGVYGB-ZIFCJYIRSA-N	393.505	3.074	70	40	GGIB	
CCOc1ccccc1Cn1cc([C@@H]2SCC(=O)N2Cc2ccco2)nn1	216686403	XFVHMRSGBBKYEI-IBGZPJMESA-N	384.461	3.092	70	40	GGIB	
COc1ccc(CCNC(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)cc1	217817967	LXNZRXNYHWWOQU-MRXNPFEDSA-N	384.480	3.162	70	40	GGIB	
O=C(/C=C\c1cccs1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217838874	RAUDOMGNWYFRST-GXMNPTEKSA-N	381.461	3.083	70	40	GGIB	
Cc1noc(-c2c(NC(=O)c3noc4c3CCCC4)sc3c2CCOC3)n1	217965352	YYJIBDIKIJUEKC-UHFFFAOYSA-N	386.433	3.298	70	40	GGIB	
O=C(CCCc1ccccc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217841785	DCCTVVIOHMKEFJ-SFHVURJKSA-N	391.475	3.331	70	40	GGIB	
COc1ccccc1NC(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217848486	SRGGTRKVEPHQCU-AWEZNQCLSA-N	394.435	3.022	70	40	GGIB	
O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217820227	DEISYCQGSISPNC-JTQLQIEISA-N	387.914	3.305	70	40	GGIB	
COc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c1	218680823	BIJBGLJZIXGPEB-GFCCVEGCSA-N	387.823	3.482	70	40	GGIB	
COc1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@H]32)on1	218076945	PDYCKIIQSXGZGL-YZIUBNRHSA-N	385.508	3.037	70	40	GGIB	
COc1ccc(CC(=O)NC[C@](C)(O)c2cc3ccccc3s2)cc1OC	217504625	SZBCKQXMTPBLSQ-NRFANRHFSA-N	385.485	3.485	70	40	GGIB	
COc1ccc(-c2noc(CNC(=O)CSCc3ccccc3)n2)c(OC)c1	218012199	KXGJZEYFRRHERM-UHFFFAOYSA-N	399.472	3.303	70	40	GGIB	
O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217665530	UXTWDYJRFAMMJY-HNNXBMFYSA-N	387.365	3.446	70	40	GGIB	
CC[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1	218704427	FMMZZRKTDJQLDI-UGSOOPFHSA-N	379.453	3.264	70	40	GGIB	
CC(C)Oc1ccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1	218567128	MLCGEGHBJWFHGN-UHFFFAOYSA-N	390.505	3.208	70	40	GGIB	
C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	216946270	QZLDZACKFPIDBL-INIZCTEOSA-N	386.467	3.382	70	40	GGIB	
Cc1ccc(N([C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1	218353747	SONYLSOONKIVEP-ZWKOTPCHSA-N	388.533	3.287	70	40	GGIB	
COc1ccc(OCCCC(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1	218742587	VGYPLAYEYNDVDE-UHFFFAOYSA-N	397.431	3.229	70	40	GGIB	
O=C(c1cncc(Br)c1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217806579	VOUYCCHAVYNWDG-NSHDSACASA-N	391.269	3.199	70	40	GGIB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](C(=O)c2ccccc2)N2CCC[C@H]32)cc1C	217478608	ZHQNWZMABXGLTE-MXEMCNAFSA-N	388.467	3.139	70	40	GGIB	
CCCCOC(=O)c1ccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)cc1	216850477	OKCVRGHBRFEFOO-UHFFFAOYSA-N	383.496	3.237	70	40	GGIB	
CO[C@@H](CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1Cl	218322355	XXCLDVNOBMIIQT-KRWDZBQOSA-N	381.881	3.008	70	40	GGIB	
O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217837242	BIMNMHBCQQADNI-CQSZACIVSA-N	388.431	3.103	70	40	GGIB	
COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1sccc1C	217916374	NEHLKCYFWNGFBX-HOCLYGCPSA-N	391.464	3.350	70	40	GGIB	
CN(c1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O	218341887	USWZGCJPVVUVJM-INIZCTEOSA-N	388.489	3.115	70	40	GGIB	
CN1CCC(CCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)CC1	217029899	GHWUEXQSXPXQBE-UHFFFAOYSA-N	377.960	3.400	70	40	GGIB	
O=C(CCc1ccc(Cl)c(Cl)c1)N1CC[C@H](N2C(=O)CSC2=O)C1	217783625	SMJZCVRLZULBRF-NSHDSACASA-N	387.288	3.222	70	40	GGIB	
CN(c1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O	218341809	USWZGCJPVVUVJM-MRXNPFEDSA-N	388.489	3.115	70	40	GGIB	
COc1ccc(Br)c(C(=O)Nc2cnn(CC3CCOCC3)c2)c1	218200685	YBJNLNNDTAIEHH-UHFFFAOYSA-N	394.269	3.333	70	40	GGIB	
Cn1cc(CCCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21	218018183	MSOGULARURXFJD-PKOBYXMFSA-N	389.499	3.309	70	40	GGIB	
O=C1O[C@@]2(CCCN(C(=O)c3ccc(Cn4ccnc4)cc3)C2)c2ccccc21	217599716	UWZAIJWLSJJJOQ-HSZRJFAPSA-N	387.439	3.233	70	40	GGIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1cc(OC)c(OC)c(OC)c1	218756516	FYAUKPOCRPBNOB-QGZVFWFLSA-N	389.448	3.195	70	40	GGIB	
CN1CCC(CCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)CC1	217029833	ULBNTUUMISVDJT-UHFFFAOYSA-N	377.960	3.400	70	40	GGIB	
Cc1cccc(CS(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1	216947822	CSDBATYRBIUSJK-UHFFFAOYSA-N	388.533	3.088	70	40	GGIB	
Cc1cc(O[C@H]2CCN(C(=O)c3cc4cc(F)ccc4s3)C2)cc(=O)n1C	217772425	UFXPEDGVQJLLHU-HNNXBMFYSA-N	386.448	3.341	70	40	GGIB	
Cc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)ccc1NS(C)(=O)=O	218596084	VTFMLFXORXZJFV-QGZVFWFLSA-N	388.489	3.399	70	40	GGIB	
CCOc1cccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccco3)nn2)c1	216686563	SZMFCPDVLRDRBK-LJQANCHMSA-N	384.461	3.092	70	40	GGIB	
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)Nc1cccc(OC)c1OC	218013595	QIISRBXEMBHHGD-OAQYLSRUSA-N	386.448	3.058	70	40	GGIB	
Cn1cc([C@H](O)CNC(=O)c2cc(Br)cs2)c2ccccc21	217574953	JLUPBKVNODVMAR-CQSZACIVSA-N	379.279	3.466	70	40	GGIB	
CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1	218439497	ISOFJRGMVLHAAH-UHFFFAOYSA-N	394.924	3.489	70	40	GGIB	
Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@H]1CCCN(c2nccs2)C1	218129624	HSOWJGXGFTWJOB-CQSZACIVSA-N	399.495	3.329	70	40	GGIB	
O=C(c1ccncc1)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1	217595781	VGKBKZYZNBYCDP-QFIPXVFZSA-N	379.504	3.367	70	40	GGIB	
O=C(N[C@@H](CN1C(=O)COC1=O)c1ccccc1)c1ccc(C(F)(F)F)cc1	217980969	XIOVTQBZSFVQKO-HNNXBMFYSA-N	392.333	3.155	70	40	GGIB	
O=C(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)cc1Cl	217559246	CDXCCFHMOSTCAV-QWHCGFSZSA-N	377.271	3.457	70	40	GGIB	
CCc1ccc(OCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1	217011845	HIIUBPLJHYYBHP-UHFFFAOYSA-N	382.504	3.417	70	40	GGIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2cccc(OC)c2)no1	218759768	BIPGIEYDVGHIJF-GOSISDBHSA-N	397.431	3.228	70	40	GGIB	
CCc1ccc(N2CCO[C@H]2c2cn(Cc3ccc(C(=O)OC)cc3)nn2)cc1	216769395	NBJSXYLHCZZYAA-NRFANRHFSA-N	392.459	3.211	70	40	GGIB	
O=C(Cc1ccsc1)Nc1ccccc1Cc1nc(-c2cnccn2)no1	217645768	XRJZRERRDKPAQY-UHFFFAOYSA-N	377.429	3.360	70	40	GGIB	
COC1CCN(C2CCN(C(=O)Cc3ccc(Br)cc3)CC2)CC1	217774262	WOOFVOUZXTUIDN-UHFFFAOYSA-N	395.341	3.093	70	40	GGIB	
COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(F)cc3)n2)c(OC)c1	217914952	QQJHMJMGGKOUIZ-BJMVGYQFSA-N	383.379	3.223	70	40	GGIB	
COc1ccc(Nc2cc(N3CCN(C)CC3)nc(SC)n2)cc1Cl	216852331	MMBRSVKGCJATIQ-UHFFFAOYSA-N	379.917	3.356	70	40	GGIB	
O=C(Nc1ccccc1F)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217848587	IGQUNPWQTPZVPS-CYBMUJFWSA-N	382.399	3.152	70	40	GGIB	
Cc1ccccc1NC(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217849940	QJFZPZBOMJHXQI-HNNXBMFYSA-N	378.436	3.322	70	40	GGIB	
CCCc1nnsc1C(=O)Nc1sc2c(c1-c1nc(C)no1)CCOC2	217965045	IFEQQMLPABNLOZ-UHFFFAOYSA-N	391.478	3.236	70	40	GGIB	
COc1ccc(-c2noc(CNC(=O)CSc3ccc(C)cc3)n2)c(OC)c1	217978980	FZSHNZMJFCMTJW-UHFFFAOYSA-N	399.472	3.471	70	40	GGIB	
CCOC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1	218619173	MSSOBZACPSHRLY-LNLFQRSKSA-N	393.505	3.074	70	40	GGIB	
COc1ccc(-c2noc(CN(C)C(=O)CCc3ccccc3)n2)c(OC)c1	218174006	KZEFXIJINPUQQA-UHFFFAOYSA-N	381.432	3.345	70	40	GGIB	
Cn1nc(CN(Cc2ccco2)C(=O)COc2ccccc2F)c2c1CCC2	217903110	UTLNAZIHRXGZNN-UHFFFAOYSA-N	383.423	3.249	70	40	GGIB	
O=C(NC[C@H]1CC[C@H](C(=O)NC2CCCCC2)CC1)[C@@H]1Cc2ccccc2CN1	217574887	LBOJVXYZSLQQDI-SVMVAKDDSA-N	397.563	3.072	70	40	GGIB	
CC[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	217833128	ALMFVGWHSRPECV-QGZVFWFLSA-N	381.881	3.390	70	40	GGIB	
CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1	216941170	QUYKLYHYEOYIFR-UHFFFAOYSA-N	394.924	3.292	70	40	GGIB	
O=C(CCc1c(Cl)cccc1Cl)N1CC[C@H](N2C(=O)CSC2=O)C1	217783450	CNBUVLPCWGQTCJ-JTQLQIEISA-N	387.288	3.222	70	40	GGIB	
O=S(=O)(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(F)c(Cl)c1	218182788	PTYGOJAKXICTAG-LLVKDONJSA-N	389.905	3.131	70	40	GGIB	
Cc1ccc(C)c(N(CC(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)c1	218238112	GGIHGNHLHTYMFJ-UHFFFAOYSA-N	390.505	3.495	70	40	GGIB	
COc1cccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccccc3)nn2)c1	216682285	YMVFZIPLDFHZJJ-HXUWFJFHSA-N	380.473	3.109	70	40	GGIB	
COc1ccccc1Cn1cc([C@H]2SCC(=O)N2Cc2ccccc2)nn1	216682739	AVESLPHGFRMHPO-HXUWFJFHSA-N	380.473	3.109	70	40	GGIB	
COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1sccc1C	217916288	NEHLKCYFWNGFBX-ZBFHGGJFSA-N	391.464	3.350	70	40	GGIB	
COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(F)cc3)n2)c1	218706613	PLXDPTWWKODJSJ-ZDUSSCGKSA-N	385.395	3.310	70	40	GGIB	
COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(F)cc3)n2)cc1	218706724	XDCJTWAIHQXDHY-CYBMUJFWSA-N	385.395	3.310	70	40	GGIB	
COc1ccc(F)cc1S(=O)(=O)NC[C@](C)(O)c1cc2ccccc2s1	217513109	KYPQQTSJTMNAJE-SFHVURJKSA-N	395.477	3.235	70	40	GGIB	
COc1ccc(CC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1OC	216930491	FRFCTSHMXMUBTA-UHFFFAOYSA-N	398.503	3.036	70	40	GGIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1NS(C)(=O)=O	218397333	JBDXWRFCDJJIJA-KRWDZBQOSA-N	388.489	3.399	70	40	GGIB	
CCOC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1	218615526	UFYMSYOKFGVYGB-JENIJYKNSA-N	393.505	3.074	70	40	GGIB	
C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1ccc(F)cc1)S(C)(=O)=O	218450303	BTPYJAQHUXAAFR-SNVBAGLBSA-N	388.823	3.411	70	40	GGIB	
CC(C)Oc1ccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1	218453541	AWGUEMOMFSOQQJ-AWEZNQCLSA-N	394.468	3.406	70	40	GGIB	
CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(S(C)(=O)=O)cc1	218690104	DJXJSBZGLHFQPE-BEFAXECRSA-N	375.490	3.433	70	40	GGIB	
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(COC)C(N)=S)cc1	218564553	VVYIWTJQAODLMA-HBFSDRIKSA-N	389.542	3.108	70	40	GGIB	
O=C(Cc1csc(-c2ccccc2)n1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217985715	XFZQGXHTMPFFEZ-DOTOQJQBSA-N	391.496	3.160	70	40	GGIB	
CC(C)Oc1cccc(CCCNC(=O)c2ccccc2NS(C)(=O)=O)c1	218396338	HYJOGFCYMPWCLE-UHFFFAOYSA-N	390.505	3.208	70	40	GGIB	
COc1ccc(Sc2ccc(NC(=O)C(=O)NCCn3cccc3)cc2)cc1	160132917	OUEZPLDHQDXNKB-UHFFFAOYSA-N	395.484	3.403	70	40	GGIB	
O=C(c1cc(=O)c2ccccc2o1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217656837	BVFXMMOSGKUJTK-INIZCTEOSA-N	386.411	3.139	70	40	GGIB	
COc1cccc(CCCNC(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1	218185586	SYLHRNRBHROPOK-ACCUITESSA-N	385.460	3.483	70	40	GGIB	
COc1ccc(/C=C/C(=O)NCc2ccc(OC)c(OC)c2OC)cc1OC	217922479	QIVWBWPASOPFOC-YRNVUSSQSA-N	387.432	3.059	70	40	GGIB	
COCCN1C(=O)CS[C@H]1c1ccn(-c2cccc(Br)c2)c1	216679171	BYSCVWMORJJOML-INIZCTEOSA-N	381.295	3.460	70	40	GGIB	
Cc1ccc(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1	218355540	QMXMYGOWTYBRJR-MRXNPFEDSA-N	392.496	3.038	70	40	GGIB	
CN1CCC(NC(=O)C2CCN(Cc3cccc(Cl)c3Cl)CC2)CC1	217030024	YGKRKKPMOLYSOU-UHFFFAOYSA-N	384.351	3.416	70	40	GGIB	
C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O	218455149	KOUYHHNVVSIODG-JKSUJKDBSA-N	392.496	3.118	70	40	GGIB	
Cn1nc(CN(Cc2ccco2)C(=O)c2ccc3c(c2)OCO3)c2c1CCC2	217902693	MBKKNZNEDQQNHU-UHFFFAOYSA-N	379.416	3.073	70	40	GGIB	
Cc1cccc(-c2noc(CNC(=O)CN3C(=O)c4cccc5cccc3c45)n2)c1	218320207	OUFKFLNXJCJOPT-UHFFFAOYSA-N	398.422	3.475	70	40	GGIB	
COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccccc1F	217914297	OVMVXIILGCKNNR-YJBOKZPZSA-N	389.398	3.119	70	40	GGIB	
CCOc1ccc(CCCNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1	218596279	IIIUMMGEQYXQCF-UHFFFAOYSA-N	390.505	3.128	70	40	GGIB	
Brc1cccc(Cn2cc([C@H]3OCCN3Cc3ccco3)nn2)c1	216781076	DTMMVBFINNOTAP-QGZVFWFLSA-N	389.253	3.213	70	40	GGIB	
CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)Nc1ccc(Cl)c(Cl)c1)C2	217684373	DIWNBBQXIZHKHF-RYUDHWBXSA-N	392.308	3.070	70	40	GGIB	
COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1sccc1C	217916120	NEHLKCYFWNGFBX-GDBMZVCRSA-N	391.464	3.350	70	40	GGIB	
CN(c1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1)S(C)(=O)=O	218334753	NXWXSPPGRUOJOW-QGZVFWFLSA-N	388.489	3.115	70	40	GGIB	
Cc1ccc(=O)n([C@H](C)C(=O)Nc2ccccc2-c2cn3ccsc3n2)n1	218567606	NTQZRYDZNXIBLT-CYBMUJFWSA-N	379.445	3.128	70	40	GGIB	
Cc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1NS(C)(=O)=O	159807311	IQAZUKUHAYPYSR-QGZVFWFLSA-N	388.489	3.399	70	40	GGIB	
Cc1nnsc1C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1	217797967	FQNQFFSETHTCTP-GFCCVEGCSA-N	387.440	3.131	70	40	GGIB	
Cc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1C	218771591	RVNGALAZTOQKMK-MRXNPFEDSA-N	389.521	3.037	70	40	GGIB	
COc1ccccc1O[C@@H](C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	217032121	TYAHGCWRTREAGI-KRWDZBQOSA-N	398.503	3.252	70	40	GGIB	
CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(COC)C(N)=S)cc1	218564786	VVYIWTJQAODLMA-NSHGMRRFSA-N	389.542	3.108	70	40	GGIB	
CN(C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)c1ccc2c(c1)OCO2	160351800	CTLQIEOCPPHMMU-UHFFFAOYSA-N	390.321	3.291	70	40	GGIB	
Cc1cc(-c2ccncc2)nn1CCNC(=O)c1cnn(-c2ccccc2)c1C	217867835	GUKHAYIPOISMEW-UHFFFAOYSA-N	386.459	3.178	70	40	GGIB	
COc1ccc(S(=O)(=O)Cl)cc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1	95697959	OCMKIDIIPRAONH-XBXARRHUSA-N	381.793	3.427	70	40	GGIB	
O=C(Nc1ccccc1F)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217848664	IGQUNPWQTPZVPS-ZDUSSCGKSA-N	382.399	3.152	70	40	GGIB	
Cc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc4c(c3)OCO4)n2)cc1	217932953	FYNBFBYXHYTBDZ-UXBLZVDNSA-N	377.400	3.446	70	40	GGIB	
O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(Cn2ccnc2)cc1	218161201	YKVWMEKDWKUWOD-KRWDZBQOSA-N	381.505	3.034	70	40	GGIB	
COc1cccc2cc(C(=O)NC[C@](C)(O)c3cc4ccccc4o3)c(=O)oc12	217991312	BPQNJMVYGMJIEC-QFIPXVFZSA-N	393.395	3.185	70	40	GGIB	
COc1cccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccccc3)nn2)c1	216682238	YMVFZIPLDFHZJJ-FQEVSTJZSA-N	380.473	3.109	70	40	GGIB	
O=c1c2cc(S(=O)(=O)Cl)ccc2nc2n1CCc1c-2[nH]c2ccccc12	256051678	KDNGTGNJWADFED-UHFFFAOYSA-N	385.832	3.028	70	40	GGIB	
COc1ccc(C(=O)N(C)Cc2nc(-c3ccc(OC)cc3OC)no2)cc1	217845871	YJRFQHCPJSRTRX-UHFFFAOYSA-N	383.404	3.035	70	40	GGIB	
COc1ccccc1CCCNC(=O)/C=C/c1ccc(OC)c(OC)c1OC	218185448	IGWRBTQSGWCCSY-WYMLVPIESA-N	385.460	3.483	70	40	GGIB	
CC(C)Oc1ccc(CCCNC(=O)c2ccccc2NS(C)(=O)=O)cc1	218396437	AQWBHFWUEPLBBX-UHFFFAOYSA-N	390.505	3.208	70	40	GGIB	
COC(=O)CS[C@@H]1CCN(C(=O)C2c3ccccc3Oc3ccccc32)C1	217557867	OMCQUZYKQFJEMD-CQSZACIVSA-N	383.469	3.431	70	40	GGIB	
CCOc1ccc(CCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1	218587346	SNQCFCWISYPIQK-UHFFFAOYSA-N	390.505	3.128	70	40	GGIB	
Cc1cc(OC2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc(=O)n1C	217776740	MDSFGNBNDZJZTI-UHFFFAOYSA-N	378.831	3.170	70	40	GGIB	
CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1	218640272	VIRRQPYAHJKDEC-QGZVFWFLSA-N	388.489	3.480	70	40	GGIB	
Cc1cnc(C(=O)N2CCC(N3CCC[C@@H]3COCc3ccccc3)CC2)cn1	217600072	MOGPRNNDVBMCBB-OAQYLSRUSA-N	394.519	3.071	70	40	GGIB	
COc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1	218753219	ICPORBKODYECQD-LBPRGKRZSA-N	387.823	3.482	70	40	GGIB	
CCOC[C@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1	218615295	UFYMSYOKFGVYGB-AOIWGVFYSA-N	393.505	3.074	70	40	GGIB	
C[C@@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1	218466843	ZNYXCLQBTFQLEL-ZIAGYGMSSA-N	380.897	3.372	70	40	GGIB	
COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc4c(c3)OCO4)n2)cc1	217933150	KEERELMCGVJNJM-ONNFQVAWSA-N	393.399	3.146	70	40	GGIB	
CCOc1ccccc1Cn1cc([C@H]2SCC(=O)N2Cc2ccccc2)nn1	216683792	WANOOOKHMBLYGC-OAQYLSRUSA-N	394.500	3.499	70	40	GGIB	
O=C(OCc1ccccc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217846559	CBPMRIMZZSWMEP-MRXNPFEDSA-N	379.420	3.118	70	40	GGIB	
O=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN12	217450403	LSGCURXUUXADFZ-YRXWBPOGSA-N	394.858	3.175	70	40	GGIB	
CCOC[C@]1(C(N)=S)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218053584	UEVNJXLUEQYYGM-HBFSDRIKSA-N	389.542	3.244	70	40	GGIB	
Cn1nc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)cc1C1CC1	217897690	GRLSWGUEHIUGQH-UHFFFAOYSA-N	389.452	3.421	70	40	GGIB	
COc1cccc(-c2noc(CN(C)C(=O)COc3cc(C)cc(C)c3)n2)c1	218696833	WCPHOZAAXOXHOB-UHFFFAOYSA-N	381.432	3.399	70	40	GGIB	
O=C(/C=C\c1cccs1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217838807	RAUDOMGNWYFRST-GEXIGZQTSA-N	381.461	3.083	70	40	GGIB	
Cc1ccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)c(C)c1	218235987	FZUOWPKRXRRHHG-GOSISDBHSA-N	388.533	3.207	70	40	GGIB	
COc1ccc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1OC	216926205	LGSGVARZOZLVPN-UHFFFAOYSA-N	384.476	3.107	70	40	GGIB	
COc1cccc(-c2noc(CNC(=O)c3ccc(CN4CCCC4)cc3)n2)c1	218610768	UGINDQLNZZGQPN-UHFFFAOYSA-N	392.459	3.271	70	40	GGIB	
O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217815495	ILLHRDMDLMVCHQ-NSHDSACASA-N	380.370	3.456	70	40	GGIB	
O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@H](O)c1ccc2c(c1)CCO2	217585277	ZUIDSALDZFZHFI-KRWDZBQOSA-N	379.378	3.423	70	40	GGIB	
COc1ccc(Cl)cc1S(=O)(=O)NC[C@@](C)(O)c1cc2ccccc2o1	217998864	HACPIVLFNZDGDE-GOSISDBHSA-N	395.864	3.281	70	40	GGIB	
COc1cc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(OC)cc1Cl	218332137	RUYJYLIHBNGDFD-UHFFFAOYSA-N	398.868	3.005	70	40	GGIB	
CC(C)Oc1ccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	218283003	LADKREYEKKUUDS-OAHLLOKOSA-N	376.478	3.267	70	40	GGIB	
CCN(c1ccc(C(=O)NCCCc2ccccc2Cl)cc1)S(C)(=O)=O	218777531	QXXDYPAHWODZMG-UHFFFAOYSA-N	394.924	3.489	70	40	GGIB	
Cc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1C	218771672	RVNGALAZTOQKMK-INIZCTEOSA-N	389.521	3.037	70	40	GGIB	
Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CCCN2[C@@H]3C(=O)c2ccccc2)c1	217472866	RXFYHRRDRDQGTJ-CGXNFDGLSA-N	388.467	3.139	70	40	GGIB	
O=C1O[C@]2(CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)c2ccccc21	217619242	KAVLSFXXQOPYRG-IBGZPJMESA-N	391.876	3.332	70	40	GGIB	
CC(C)Oc1cccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1	218453732	ULDBCLRYGJCITH-AWEZNQCLSA-N	394.468	3.406	70	40	GGIB	
O=C(c1ccc(-c2cccs2)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1	217728502	HKDDMTZWXQQSKY-ROUUACIJSA-N	392.480	3.191	70	40	GGIB	
O=C(CCCc1ccccc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217841693	DCCTVVIOHMKEFJ-GOSISDBHSA-N	391.475	3.331	70	40	GGIB	
Cc1ccc(/C=C/S(=O)(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)cc1	217624396	FSGPQEVTGBSRSM-QGFLDLQWSA-N	383.469	3.457	70	40	GGIB	
CCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1	218640342	VIRRQPYAHJKDEC-KRWDZBQOSA-N	388.489	3.480	70	40	GGIB	
COc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc4c(c3)OCO4)n2)c1	217933056	BFBFGDAAPCKYLR-VQHVLOKHSA-N	393.399	3.146	70	40	GGIB	
Cc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1	218355454	QMXMYGOWTYBRJR-INIZCTEOSA-N	392.496	3.038	70	40	GGIB	
CSc1ccccc1NC(=O)C(=O)NC[C@](C)(O)c1cc2ccccc2o1	218003264	AEUZWMGUFJDBSO-FQEVSTJZSA-N	384.457	3.117	70	40	GGIB	
Cc1ccc(C)c(OCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1	217011693	VBJCPDJPIXKROC-UHFFFAOYSA-N	382.504	3.472	70	40	GGIB	
O=C(c1ccc(-c2ccsc2)cc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1	217726367	AUSHWXVJVCPSNL-RTBURBONSA-N	392.480	3.191	70	40	GGIB	
Cc1ccccc1-c1noc(C[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1	217834646	ZVGRHZGGDUAYCP-INIZCTEOSA-N	398.488	3.083	70	40	GGIB	
O=C1O[C@]2(CCCN(C(=O)/C=C/c3ccc4c(c3)OCO4)C2)c2ccccc21	217595154	VEUVRBNEXDCGAZ-GLJAUCNMSA-N	377.396	3.117	70	40	GGIB	
COCCN1C(=O)CS[C@H]1c1ccn(-c2ccc(Br)cc2)c1	216679399	PLPGUEKAKKJWFU-INIZCTEOSA-N	381.295	3.460	70	40	GGIB	
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)[C@@H]1COc2ccccc2O1	218302243	XOYNPTKYSMYNEM-INIZCTEOSA-N	385.807	3.188	70	40	GGIB	
CCCOc1ccccc1CCCNC(=O)c1cccc(NS(C)(=O)=O)c1	218567297	JOSWBNCMDJHPAG-UHFFFAOYSA-N	390.505	3.210	70	40	GGIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1	218759879	RIPYQSKNNMWHES-GOSISDBHSA-N	397.431	3.228	70	40	GGIB	
O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217656757	BVFXMMOSGKUJTK-MRXNPFEDSA-N	386.411	3.139	70	40	GGIB	
O=S(=O)(Nc1ccsc1-c1nc(C2CC2)no1)c1ccc2c(c1)CCO2	217286944	OAVMILUUBLWNIY-UHFFFAOYSA-N	389.458	3.411	70	40	GGIB	
COc1ccc(S(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3s2)cc1C	217512897	GIJBDXKXPVSHNT-LJQANCHMSA-N	391.514	3.404	70	40	GGIB	
COc1ccc(OC[C@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1	218316659	XEKFHSWCSNTZJA-HNNXBMFYSA-N	390.439	3.392	70	40	GGIB	
COc1ccc(S(=O)(=O)N(Cc2cc(C3CC3)n(C)n2)C2CCCC2)cc1	217901184	SREAUYVNEUMQHW-UHFFFAOYSA-N	389.521	3.440	70	40	GGIB	
CCOC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1	218053797	UEVNJXLUEQYYGM-CMKODMSKSA-N	389.542	3.244	70	40	GGIB	
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cccc(Br)c1	218008731	LNUZRYODJVAHQQ-IBGZPJMESA-N	390.277	3.412	70	40	GGIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(NS(C)(=O)=O)cc1	218402649	UVGOPBJBBNIWIC-KRWDZBQOSA-N	388.489	3.399	70	40	GGIB	
COc1ccc([C@H]2SCCN2S(=O)(=O)c2cccc3nsnc23)cc1	217645877	VYCLYFYJCHCYCQ-MRXNPFEDSA-N	393.515	3.136	70	40	GGIB	
O=C1CSC(=O)N1[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1	217782643	BCUNMZJWALPENR-HNNXBMFYSA-N	392.908	3.448	70	40	GGIB	
O=C(CN1C(=O)c2cccc3cccc1c23)NCc1nc(-c2cccs2)no1	218320955	WZZOLRHIGNWZPC-UHFFFAOYSA-N	390.424	3.228	70	40	GGIB	
Cc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc4c(c3)OCO4)n2)c1	217932842	FBLHXKBTQNIJLX-VQHVLOKHSA-N	377.400	3.446	70	40	GGIB	
CC(C)OCCCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C	216890967	KKHXVRCAVKMYPL-UHFFFAOYSA-N	388.489	3.037	70	40	GGIB	
COc1ccc([C@@H]2SCCN2S(=O)(=O)c2cccc3nsnc23)cc1	217645962	VYCLYFYJCHCYCQ-INIZCTEOSA-N	393.515	3.136	70	40	GGIB	
Cc1ccc(=O)n([C@@H](C)C(=O)Nc2ccccc2-c2cn3ccsc3n2)n1	218567557	NTQZRYDZNXIBLT-ZDUSSCGKSA-N	379.445	3.128	70	40	GGIB	
O=C1OC2(CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)c2ccccc21	217516706	APCBKQOAGSAZCE-UHFFFAOYSA-N	375.380	3.095	70	40	GGIB	
Cn1nc(CN(C(=O)c2ccc3nsnc3c2)C2CCCC2)c2c1CCC2	217911520	SMXQOSYLKGBAPL-UHFFFAOYSA-N	381.505	3.499	70	40	GGIB	
C[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O	218455365	KOUYHHNVVSIODG-CVEARBPZSA-N	392.496	3.118	70	40	GGIB	
O=C1OC2(CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)c2ccccc21	217545091	RNSDZZCAOFECQF-UHFFFAOYSA-N	391.876	3.332	70	40	GGIB	
Cc1cc(S(=O)(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)ccc1F	217666437	HAACJYSTIDUXOW-INIZCTEOSA-N	386.452	3.028	70	40	GGIB	
COc1ccc(-c2noc(CNC(=O)/C=C/c3ccccc3OC)n2)c(OC)c1	217968929	NLUBMMZAHCFMSI-DHZHZOJOSA-N	395.415	3.092	70	40	GGIB	
COc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)c1	218680884	BIJBGLJZIXGPEB-LBPRGKRZSA-N	387.823	3.482	70	40	GGIB	
CCOC(=O)CCC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1	217826900	UELQRELGODJUFN-MRXNPFEDSA-N	385.464	3.169	70	40	GGIB	
CCN(c1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1)S(C)(=O)=O	218777636	MSAYEUFZTAASIU-UHFFFAOYSA-N	394.924	3.489	70	40	GGIB	
COCCN1C(=O)CS[C@H]1c1ccn(-c2ccccc2Br)c1	216680293	HJHAZZOEJQPEBO-INIZCTEOSA-N	381.295	3.460	70	40	GGIB	
COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cccc(C)c3)n2)c(OC)c1	218690507	SHDLDOAJAQGCNA-CQSZACIVSA-N	397.431	3.146	70	40	GGIB	
Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1C	218461950	ZHAWWZBWQJQRSB-CVEARBPZSA-N	392.496	3.474	70	40	GGIB	
O=C(Nc1ccc2c(c1)OCO2)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217665821	PBBFRTBDJWHIOO-MRXNPFEDSA-N	377.404	3.153	70	40	GGIB	
O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217837327	BIMNMHBCQQADNI-AWEZNQCLSA-N	388.431	3.103	70	40	GGIB	
COC(=O)CS[C@H]1CCN(C(=O)c2ccc(-c3cccc(OC)c3)cc2)C1	217558845	SVILYTGTUZZSEK-IBGZPJMESA-N	385.485	3.483	70	40	GGIB	
O=S(=O)(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc2c(c1)CCCC2	218182919	FISXWSWKJSNSLF-HNNXBMFYSA-N	391.562	3.217	70	40	GGIB	
CCOc1ccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccco3)nn2)cc1	216685618	JUZVDZGTTRCFJW-IBGZPJMESA-N	384.461	3.092	70	40	GGIB	
COc1cc(OC)cc(C(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)c1	218177004	QGLKBYXXEHVMSX-UHFFFAOYSA-N	383.404	3.035	70	40	GGIB	
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cc(-c2ccccc2)on1	218008435	PUVXFHBBRDPFBF-JOCHJYFZSA-N	378.428	3.304	70	40	GGIB	
CCOc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1S(=O)(=O)Cl	95698179	MKEQKDHWOSYITD-UHFFFAOYSA-N	382.869	3.331	70	40	GGIB	
O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(S(=O)(=O)F)cc1	100482176	CXQRHOUVWKISQV-UHFFFAOYSA-N	387.776	3.228	70	40	GGIB	
CN1CCC(NC(=O)COc2ccc(C(C)(C)C)cc2Br)CC1	217010090	ATGQOTANMVWQQQ-UHFFFAOYSA-N	383.330	3.336	70	40	GGIB	
O=C(/C=C/c1ccc2c(c1)OCO2)NCc1nc(-c2ccccc2Cl)no1	217932263	SPQSBXXXLOIECQ-SOFGYWHQSA-N	383.791	3.448	70	40	GGIB	
O=C(Cc1c[nH]c2ccccc12)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1	218251117	ZRVYAXRYFIAROW-QGZVFWFLSA-N	388.427	3.386	70	40	GGIB	
CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccccc2Cl)cc1	218439403	KQSIPGMEBIQTGX-UHFFFAOYSA-N	394.924	3.489	70	40	GGIB	
CCOC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1	218053724	UEVNJXLUEQYYGM-BJLQDIEVSA-N	389.542	3.244	70	40	GGIB	
COC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1	218481413	YBWPARURZLVMGE-CMKODMSKSA-N	389.542	3.162	70	40	GGIB	
CCCOc1ccccc1CCCNC(=O)c1ccccc1NS(C)(=O)=O	218396657	ANPZQZPCLITOCG-UHFFFAOYSA-N	390.505	3.210	70	40	GGIB	
CC1(C)Cc2cccc(OCC(=O)Nc3cnn(CC4CCOCC4)c3)c2O1	218197461	JIGUPAUETYMXAX-UHFFFAOYSA-N	385.464	3.041	70	40	GGIB	
COc1ccc(/C=C/C(=O)NCc2nc(-c3ccccc3)no2)c(OC)c1OC	218189595	FSPVEUPZYDOYFP-ZRDIBKRKSA-N	395.415	3.092	70	40	GGIB	
CSc1cccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1	218450024	RCJDBDBUMQFZIO-GFCCVEGCSA-N	382.482	3.341	70	40	GGIB	
CN1CCC(CCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)CC1	217029778	ZCHXDAAZBZHHMD-UHFFFAOYSA-N	377.960	3.400	70	40	GGIB	
Cc1cc(O[C@@H]2CCN(C(=O)c3cc4cc(F)ccc4s3)C2)cc(=O)n1C	217772352	UFXPEDGVQJLLHU-OAHLLOKOSA-N	386.448	3.341	70	40	GGIB	
CN1CCN(c2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2)CC1	216948336	YKQGZDUXTGNJMY-UHFFFAOYSA-N	379.913	3.034	70	40	GGIB	
CN1CCN(c2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2)CC1	216948200	RDAANLVPEIDQJB-UHFFFAOYSA-N	379.913	3.034	70	40	GGIB	
Cc1ccc(CS(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1	216947915	QJTKFDPBNZDVFY-UHFFFAOYSA-N	388.533	3.088	70	40	GGIB	
CSc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)c1cc2ccccc2o1	218003172	AEUZWMGUFJDBSO-HXUWFJFHSA-N	384.457	3.117	70	40	GGIB	
CCOc1ccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccccc3)nn2)cc1	216682961	CXPWDPLBTHTHBO-OAQYLSRUSA-N	394.500	3.499	70	40	GGIB	
CCOc1ccc(S(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3o2)cc1F	217998743	ILDZTXUXZJJDBV-LJQANCHMSA-N	393.436	3.157	70	40	GGIB	
COc1cccc(NC(=O)NC[C@@H]2CCCN(c3nccs3)C2)c1OC	218172963	KEWWLKBOTDNQFO-ZDUSSCGKSA-N	376.482	3.198	70	40	GGIB	
CC(=O)Nc1ccc(S(=O)(=O)NCC2(c3ccsc3)CCCC2)cc1	217484231	UFUPCNICDKJMPD-UHFFFAOYSA-N	378.519	3.497	70	40	GGIB	
O=C(Nc1ccc2c(c1)OCO2)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217665910	PBBFRTBDJWHIOO-INIZCTEOSA-N	377.404	3.153	70	40	GGIB	
Cc1ccc(-c2noc(CNC(=O)CN3C(=O)c4cccc5cccc3c45)n2)cc1	218320313	HLLIYDMIGNZYPH-UHFFFAOYSA-N	398.422	3.475	70	40	GGIB	
O=C(Cc1ccccc1Cl)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217842639	LCIQYNOYNXATDE-AWEZNQCLSA-N	397.866	3.204	70	40	GGIB	
COCCN1C(=O)CS[C@@H]1c1ccn(-c2cccc(Br)c2)c1	216679130	BYSCVWMORJJOML-MRXNPFEDSA-N	381.295	3.460	70	40	GGIB	
COc1ccc(S(=O)(=O)NC[C@](C)(O)c2cc3ccccc3s2)cc1C	217512828	GIJBDXKXPVSHNT-IBGZPJMESA-N	391.514	3.404	70	40	GGIB	
CCCc1n[nH]c2c(O)nc(-c3cc(S(=O)(=O)Cl)ccc3OCC)nc12	72399605	DGAKRSPLTDMENL-UHFFFAOYSA-N	396.856	3.004	70	40	GGIB	in-vitro
O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)Nc1cccc2[nH]ccc12	218485843	VOWZSANSBCVVME-UHFFFAOYSA-N	391.475	3.021	70	40	GGIB	
O=S(=O)(Cc1ccc(Cl)cc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217823335	OFJPUXIEMRDTMG-CQSZACIVSA-N	395.912	3.385	70	40	GGIB	
COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1c[nH]c2ccccc12	217953598	IZOFLBBINLSXJG-UGSOOPFHSA-N	382.391	3.142	70	40	GGIB	
COc1ccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1	217845793	VSOKHLLRBVPQRW-UHFFFAOYSA-N	388.221	3.438	70	40	GGIB	
CN(c1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1)S(C)(=O)=O	218333322	PLTXUYXAZKHCQU-UHFFFAOYSA-N	380.897	3.098	70	40	GGIB	
CC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(S(C)(=O)=O)cc1	217931576	YEJCNIUDHIMVLN-OPGUWZMBSA-N	387.457	3.100	70	40	GGIB	
CCOc1ccccc1NC(=O)C(=O)NC[C@](C)(O)c1cc2ccccc2s1	217519239	VSLJKFZWDCRJIS-NRFANRHFSA-N	398.484	3.262	70	40	GGIB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2ccccc2)N2CCC[C@H]32)cc1C	217478444	ZHQNWZMABXGLTE-XRXFAXGQSA-N	388.467	3.139	70	40	GGIB	
O=C1O[C@@]2(CCCN(C(=O)/C=C/c3ccc4c(c3)OCO4)C2)c2ccccc21	217595072	VEUVRBNEXDCGAZ-FGBWHXJSSA-N	377.396	3.117	70	40	GGIB	
Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H]1CCCN(c2nccs2)C1	218129539	HSOWJGXGFTWJOB-AWEZNQCLSA-N	399.495	3.329	70	40	GGIB	
CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(S(C)(=O)=O)cc1	218690214	DJXJSBZGLHFQPE-KXBFYZLASA-N	375.490	3.433	70	40	GGIB	
O=C(CCc1c(Cl)cccc1Cl)N1CC[C@@H](N2C(=O)CSC2=O)C1	217783521	CNBUVLPCWGQTCJ-SNVBAGLBSA-N	387.288	3.222	70	40	GGIB	
CCOc1cccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccco3)nn2)c1	216686515	SZMFCPDVLRDRBK-IBGZPJMESA-N	384.461	3.092	70	40	GGIB	
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@H]1COc2ccccc2O1	218302412	PLRIQVNJCFIILC-MRXNPFEDSA-N	385.807	3.188	70	40	GGIB	
COc1ccc(OCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1	217843087	VZDOFACLRBGJHE-UHFFFAOYSA-N	387.823	3.436	70	40	GGIB	
O=C(c1cc(-c2cccs2)[nH]n1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217663718	WJTSPXDBKWQIRP-OAHLLOKOSA-N	390.472	3.484	70	40	GGIB	
O=C1O[C@@]2(CCCN(C(=O)c3cncc(Br)c3)C2)c2ccccc21	217588659	WXLYBQGPBPOSQN-GOSISDBHSA-N	387.233	3.146	70	40	GGIB	
O=S(=O)(NCC[C@H](O)c1ccsc1)c1ccc(OC(F)(F)F)cc1	217539259	UWIIQBNDFPFXHV-ZDUSSCGKSA-N	381.397	3.049	70	40	GGIB	
COc1cccc(NC(=O)NC[C@H]2CCCN(c3nccs3)C2)c1OC	218173043	KEWWLKBOTDNQFO-CYBMUJFWSA-N	376.482	3.198	70	40	GGIB	
O=C(c1ccc(-c2cccs2)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1	217728435	HKDDMTZWXQQSKY-HDICACEKSA-N	392.480	3.191	70	40	GGIB	
O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217665453	UXTWDYJRFAMMJY-OAHLLOKOSA-N	387.365	3.446	70	40	GGIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(NS(C)(=O)=O)c1	218567901	KAKMXWFOECBGTM-QGZVFWFLSA-N	388.489	3.399	70	40	GGIB	
Cc1ccc(OCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1C	216946506	RIJZJJBCJFTTHL-UHFFFAOYSA-N	382.504	3.472	70	40	GGIB	
COc1ccc(S(=O)(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)cc1	217912501	FJNZDWWOUJZYST-UHFFFAOYSA-N	389.521	3.051	70	40	GGIB	
O=C(COc1ccc(Cl)cc1Cl)NCCn1ccnc1-c1ccccn1	217858861	YVCVTDIAKYPTOI-UHFFFAOYSA-N	391.258	3.447	70	40	GGIB	
CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1	218704205	FMMZZRKTDJQLDI-FZKQIMNGSA-N	379.453	3.264	70	40	GGIB	
CCOC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1	218509129	BSWHORNKXWHJMI-CMKODMSKSA-N	389.542	3.244	70	40	GGIB	
C[C@@H](C(=O)N[C@H](C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O	218466771	ZNYXCLQBTFQLEL-KGLIPLIRSA-N	380.897	3.372	70	40	GGIB	
CCCCOc1ccc(NC(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)cc1	217736301	NZSCWYNJBRMXMP-RTBURBONSA-N	397.475	3.033	70	40	GGIB	
CCOC(=O)CCC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1	217826976	UELQRELGODJUFN-INIZCTEOSA-N	385.464	3.169	70	40	GGIB	
O=C(/C=C/c1ccc2c(c1)OCO2)NCc1nc(-c2ccc(Cl)cc2)no1	217932369	SHOZMRMTMKOWIN-KRXBUXKQSA-N	383.791	3.448	70	40	GGIB	
COc1ccc(OCCCC(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1	218742518	SMEPBUVWNLORAW-UHFFFAOYSA-N	397.431	3.229	70	40	GGIB	
CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C	216842882	QYCRGPUHWVPGRK-UHFFFAOYSA-N	381.476	3.034	70	40	GGIB	
C[C@H](C(=O)NCCCc1ccccc1Cl)N(c1ccccc1)S(C)(=O)=O	218284394	APIXYIJUUCGUTP-OAHLLOKOSA-N	394.924	3.244	70	40	GGIB	
Cn1nc(CN(Cc2ccco2)C(=O)c2ccc3nsnc3c2)c2c1CCC2	217905135	CMMMVZINNLQHFK-UHFFFAOYSA-N	393.472	3.349	70	40	GGIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1	218759918	RIPYQSKNNMWHES-SFHVURJKSA-N	397.431	3.228	70	40	GGIB	
O=S(=O)(Cc1ccc(Cl)cc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217823414	OFJPUXIEMRDTMG-AWEZNQCLSA-N	395.912	3.385	70	40	GGIB	
O=C(Cc1cccs1)Nc1ccccc1Cc1nc(-c2cnccn2)no1	217488524	SJODOFKFQAWFGF-UHFFFAOYSA-N	377.429	3.360	70	40	GGIB	
COC(=O)CS[C@H]1CCN(C(=O)C2c3ccccc3Oc3ccccc32)C1	217557956	OMCQUZYKQFJEMD-AWEZNQCLSA-N	383.469	3.431	70	40	GGIB	
Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2	218065330	PXGOLLVPXHZCGR-MBSDFSHPSA-N	387.568	3.477	70	40	GGIB	
COc1ccc(/C=C/C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)cc1	217921017	XSHWOMMBZPYLEO-IZZDOVSWSA-N	395.415	3.092	70	40	GGIB	
COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccccc1F	217914460	OVMVXIILGCKNNR-QAPCUYQASA-N	389.398	3.119	70	40	GGIB	
COc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)cc1	218753470	BVPJMVFWHVPAMN-AWEZNQCLSA-N	397.431	3.180	70	40	GGIB	
O=S(=O)(NC[C@H]1CCCN(c2nccs2)C1)c1ccc2c(c1)CCCC2	218182971	FISXWSWKJSNSLF-OAHLLOKOSA-N	391.562	3.217	70	40	GGIB	
CCc1cccc(C)c1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O	218451737	PAEGWRSQRZHVDQ-AWEZNQCLSA-N	378.469	3.490	70	40	GGIB	
CC(C)Oc1cccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)c1	218567058	FPRWVOBWVLGIST-UHFFFAOYSA-N	390.505	3.208	70	40	GGIB	
CN(c1ccccc1C(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O	218340956	BDQCZVSPLPCGTC-UHFFFAOYSA-N	380.897	3.098	70	40	GGIB	
CCOC[C@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1	218508888	BSWHORNKXWHJMI-HBFSDRIKSA-N	389.542	3.244	70	40	GGIB	
Cc1cc(-c2ccncc2)nn1CCNC(=O)c1ccc(Br)o1	217868988	HZPJMVCXUDUEGW-UHFFFAOYSA-N	375.226	3.039	70	40	GGIB	
C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1ccc(F)cc1)S(C)(=O)=O	218450217	BTPYJAQHUXAAFR-JTQLQIEISA-N	388.823	3.411	70	40	GGIB	
CCOC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1	218619236	MSSOBZACPSHRLY-JENIJYKNSA-N	393.505	3.074	70	40	GGIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1cc(OC)c(OC)c(OC)c1	218756557	FYAUKPOCRPBNOB-KRWDZBQOSA-N	389.448	3.195	70	40	GGIB	
O=C(Nc1ccc(Br)cc1F)[C@H]1CC[C@H](Cn2cnnn2)CC1	218301866	YSJMGRRILUUZCK-PHIMTYICSA-N	382.237	3.020	70	40	GGIB	
COc1ccc(-c2noc(CNC(=O)CSc3ccccc3)n2)c(OC)c1	217974231	GDGABWAHLBGGDP-UHFFFAOYSA-N	385.445	3.162	70	40	GGIB	
O=C(/C=C\c1ccccc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217840213	TVIDUFLIBMEPEM-JJEJIETFSA-N	375.432	3.021	70	40	GGIB	
O=C(NC[C@H]1CCCN(c2nccs2)C1)C1(c2ccccc2)CCOCC1	218127065	YRMJWDCXAZLGDZ-QGZVFWFLSA-N	385.533	3.224	70	40	GGIB	
O=S(=O)(NCCn1ccc(-c2ccsc2)n1)c1ccc(F)c(Cl)c1	217892484	NGTPOFILFAXYLA-UHFFFAOYSA-N	385.873	3.383	70	40	GGIB	
FC(F)(F)c1cccc(Cn2cc([C@H]3OCCN3Cc3ccco3)nn2)c1	216781191	ATYWKZXNKNBLMO-QGZVFWFLSA-N	378.354	3.469	70	40	GGIB	
Cn1nc(-c2ccccc2)cc1C(=O)N1CCC2(CC1)OC(=O)c1ccccc12	217527108	RXGNSXSGIIWRKK-UHFFFAOYSA-N	387.439	3.389	70	40	GGIB	
O=c1nc(-c2ccc(S(=O)(=O)F)cc2)[nH]c2ccc(Br)cc12	685944915	IBLFODURRSRLGW-UHFFFAOYSA-N	383.198	3.011	70	40	GGIB	
O=C(/C=C\c1ccccc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217840134	TVIDUFLIBMEPEM-XZVRFQMRSA-N	375.432	3.021	70	40	GGIB	
Cc1ccccc1CS(=O)(=O)NCc1ccc(OC2CCN(C)CC2)cc1	216947744	FWNRRGPQNGFXCA-UHFFFAOYSA-N	388.533	3.088	70	40	GGIB	
Cn1cc(CC(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)c2ccccc21	217661217	STYKUCJOKPKLOP-LJQANCHMSA-N	385.471	3.453	70	40	GGIB	
CN1CCN(c2ccc(NS(=O)(=O)Cc3c(F)cccc3Cl)cc2)CC1	216948697	YWHKRGDWIOQXEL-UHFFFAOYSA-N	397.903	3.173	70	40	GGIB	
Cc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)N1CCCC1	218508581	ZNSDOYZNWUWKFC-UHFFFAOYSA-N	392.908	3.363	70	40	GGIB	
COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)cc1	217921483	NCASZLPFEKIZHK-FMIVXFBMSA-N	379.416	3.426	70	40	GGIB	
COc1ccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)cc1	218753511	BVPJMVFWHVPAMN-CQSZACIVSA-N	397.431	3.180	70	40	GGIB	
O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc2ccccc12	217764147	XMBMOQCANMKYKH-DFNIBXOVSA-N	376.456	3.053	70	40	GGIB	
C[C@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O	218284521	REGOWUKXDDUNGS-OAHLLOKOSA-N	394.924	3.244	70	40	GGIB	
COc1ccc(CC(=O)NC[C@@](C)(O)c2cc3ccccc3s2)cc1OC	217504546	SZBCKQXMTPBLSQ-OAQYLSRUSA-N	385.485	3.485	70	40	GGIB	
CCS(=O)(=O)Nc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1	218638848	YANCMXGPSHZBJA-UHFFFAOYSA-N	380.897	3.464	70	40	GGIB	
CC[C@@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1	218723215	HMPGTDIFPUEDNP-LJQANCHMSA-N	375.490	3.353	70	40	GGIB	
C[C@@H](NC(=O)C(=O)NC[C@@](C)(O)c1cc2ccccc2s1)c1ccccc1	217518347	MMVMZRVSAJOJEZ-SPLOXXLWSA-N	382.485	3.102	70	40	GGIB	
O=C(CCc1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2C(=O)CSC2=O)C1	217783700	SMJZCVRLZULBRF-LLVKDONJSA-N	387.288	3.222	70	40	GGIB	
O=C(c1ccc(-c2cccs2)cc1)N1Cc2cnc(N3CCOCC3)nc2C1	217611539	CRMXTRRLSABKME-UHFFFAOYSA-N	392.484	3.198	70	40	GGIB	
O=C(c1ccsc1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1	217592145	ONLACBGYMCTUHA-UHFFFAOYSA-N	377.535	3.353	70	40	GGIB	
N#Cc1c(OCC(F)(F)F)ccc(S(=O)(=O)Cl)c1OCC(F)(F)F	95676272	MKJZVWSHUHCPDU-UHFFFAOYSA-N	397.680	3.368	70	40	GGIB	
CC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(S(C)(=O)=O)cc1	217931662	YEJCNIUDHIMVLN-RIWGIVCCSA-N	387.457	3.100	70	40	GGIB	
Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1C	218461862	ZHAWWZBWQJQRSB-JKSUJKDBSA-N	392.496	3.474	70	40	GGIB	
CC[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1	218704267	FMMZZRKTDJQLDI-ACJLOTCBSA-N	379.453	3.264	70	40	GGIB	
CCOc1ccc(C)cc1S(=O)(=O)NC[C@](C)(O)c1cc2ccccc2o1	217998268	VSZIADUJQUNZLK-FQEVSTJZSA-N	389.473	3.326	70	40	GGIB	
CN1CCC(Oc2ccc(NS(=O)(=O)Cc3ccccc3F)cc2)CC1	216948774	NQJWVSWYBRLFRF-UHFFFAOYSA-N	378.469	3.241	70	40	GGIB	
CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O	218451649	PAEGWRSQRZHVDQ-CQSZACIVSA-N	378.469	3.490	70	40	GGIB	
CN(c1ccccc1C(=O)NCCCc1ccccc1Cl)S(C)(=O)=O	218340840	XODIECXLDVWLEO-UHFFFAOYSA-N	380.897	3.098	70	40	GGIB	
COc1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@@H]32)on1	218077027	PDYCKIIQSXGZGL-WCIYBSDLSA-N	385.508	3.037	70	40	GGIB	
CC(=O)OC(C)(C)C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1	217832431	NWSIUQQETLRGIE-INIZCTEOSA-N	385.464	3.168	70	40	GGIB	
CN(c1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1)S(C)(=O)=O	218334834	NXWXSPPGRUOJOW-KRWDZBQOSA-N	388.489	3.115	70	40	GGIB	
COCCN1C(=O)CS[C@@H]1c1ccn(-c2ccc(Br)cc2)c1	216679354	PLPGUEKAKKJWFU-MRXNPFEDSA-N	381.295	3.460	70	40	GGIB	
CCOc1cccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccccc3)nn2)c1	216683900	RDCNKFPBFUGYIC-OAQYLSRUSA-N	394.500	3.499	70	40	GGIB	
COc1ccc(-c2noc(CNC(=O)COc3cc(C)cc(C)c3)n2)c(OC)c1	218696635	CMOZAYRBXRLFSZ-UHFFFAOYSA-N	397.431	3.066	70	40	GGIB	
O=C(OCc1ccccc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217846663	CBPMRIMZZSWMEP-INIZCTEOSA-N	379.420	3.118	70	40	GGIB	
O=C(c1ccc(-c2cccs2)cc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1	217728597	HKDDMTZWXQQSKY-QZTJIDSGSA-N	392.480	3.191	70	40	GGIB	
COc1ccc(CNC(=O)N(Cc2ccco2)Cc2nn(C)c3c2CCC3)cc1	217906051	IESUPSXAVVUCAL-UHFFFAOYSA-N	394.475	3.422	70	40	GGIB	
O=S(=O)(NCCn1ccc(-c2ccsc2)n1)c1ccc2c(c1)CCCC2	217893118	ZCGVAJHLCOCGHA-UHFFFAOYSA-N	387.530	3.469	70	40	GGIB	
CN1CCC(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)CC1	216894551	VRNXKYGRKWZSKF-UHFFFAOYSA-N	379.504	3.330	70	40	GGIB	
COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(-c3cccc(OC)c3)cc2)C1	217558937	SVILYTGTUZZSEK-LJQANCHMSA-N	385.485	3.483	70	40	GGIB	
COc1ccc(C(=O)NC[C@@](C)(O)c2cc3ccccc3o2)c(OC)c1OC	217991036	YAQKVMALYRMRKQ-OAQYLSRUSA-N	385.416	3.096	70	40	GGIB	
Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]4C2=O)no1	217698722	ITWDISDLRDQGCS-ONZODILHSA-N	393.443	3.032	70	40	GGIB	
COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3OC)n2)c(OC)c1	218170263	SEWIESYXHACUKO-UHFFFAOYSA-N	383.404	3.035	70	40	GGIB	
Cc1cc(O[C@@H]2CCN(C(=O)C3(c4cccs4)CCCC3)C2)cc(=O)n1C	217771632	PUFYRXKPTNDGFD-MRXNPFEDSA-N	386.517	3.247	70	40	GGIB	
Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1C	218461779	ZHAWWZBWQJQRSB-HZPDHXFCSA-N	392.496	3.474	70	40	GGIB	
O=C([C@@H]1CC=CCC1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1	217592606	UFCFBWAYFFJZMZ-MRXNPFEDSA-N	375.538	3.334	70	40	GGIB	
Cn1nc(CN(Cc2ccco2)C(=O)Cc2noc3ccccc23)c2c1CCC2	217902160	QLPKNJHZBGPZJP-UHFFFAOYSA-N	390.443	3.415	70	40	GGIB	
C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O	218455297	KOUYHHNVVSIODG-HOTGVXAUSA-N	392.496	3.118	70	40	GGIB	
O=C(Cc1c[nH]c2ccccc12)Nc1cnn(C[C@H]2COc3ccccc3O2)c1	218251178	ZRVYAXRYFIAROW-KRWDZBQOSA-N	388.427	3.386	70	40	GGIB	
COc1cccc(C(=O)Nc2ccccc2Cc2nc(-c3cnccn3)no2)c1	217487755	VKMRYNBVABYBRJ-UHFFFAOYSA-N	387.399	3.378	70	40	GGIB	
C[C@@H](NC(=O)C(=O)NC[C@](C)(O)c1cc2ccccc2s1)c1ccccc1	217518184	MMVMZRVSAJOJEZ-SZNDQCEHSA-N	382.485	3.102	70	40	GGIB	
Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCCc1ccccc1Cl	218577290	WTDBNHFHAFIZQP-UHFFFAOYSA-N	380.897	3.383	70	40	GGIB	
COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)Cl)cc1	100461259	ISEOIHWYBXTSTC-UHFFFAOYSA-N	388.272	3.249	70	40	GGIB	
Cc1ccc(/C=C/S(=O)(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)cc1	217624475	FSGPQEVTGBSRSM-KVDXNUTJSA-N	383.469	3.457	70	40	GGIB	
Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)CC(C)(C)O2	218567657	DYACUNKEHHVCAB-KRWDZBQOSA-N	388.489	3.399	70	40	GGIB	
CC[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1	217833224	ALMFVGWHSRPECV-KRWDZBQOSA-N	381.881	3.390	70	40	GGIB	
Cc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)c(C)c1	218235921	FZUOWPKRXRRHHG-SFHVURJKSA-N	388.533	3.207	70	40	GGIB	
O=C(c1cncc(Br)c1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217806494	VOUYCCHAVYNWDG-LLVKDONJSA-N	391.269	3.199	70	40	GGIB	
Cc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)ccc1NS(C)(=O)=O	218596164	VTFMLFXORXZJFV-KRWDZBQOSA-N	388.489	3.399	70	40	GGIB	
CN1CCN(c2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2)CC1	216948059	ZLCWZLOIUXEHCX-UHFFFAOYSA-N	379.913	3.034	70	40	GGIB	
O=S(=O)(/C=C/c1ccccc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217666031	HZFINPLKXVBSRI-XUDAUXSOSA-N	380.473	3.193	70	40	GGIB	
COc1ccc(CCCNC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1	218185710	ITLXQFIAPNUABR-GXDHUFHOSA-N	385.460	3.483	70	40	GGIB	
COc1ccccc1OCC(=O)N(C)Cc1nc(-c2ccccc2Cl)no1	217948625	DUASLWKUEUQOKA-UHFFFAOYSA-N	387.823	3.436	70	40	GGIB	
O=C(N1CC(n2cc(-c3ccccc3)nn2)C1)C1(c2ccccc2)CCOCC1	217671875	CFOLTPOPEUEMAI-UHFFFAOYSA-N	388.471	3.077	70	40	GGIB	
Cc1ccccc1-c1noc(C[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1	217834719	ZVGRHZGGDUAYCP-MRXNPFEDSA-N	398.488	3.083	70	40	GGIB	
COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccccc1F	217914367	OVMVXIILGCKNNR-MAUKXSAKSA-N	389.398	3.119	70	40	GGIB	
O=C(NCCn1ccc(-c2ccsc2)n1)C1(c2ccccc2)CCOCC1	217887924	AXXBTWNZKUUJHK-UHFFFAOYSA-N	381.501	3.476	70	40	GGIB	
Cc1cc(C)cc(OCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1	216946142	VEKOJRGUOXBZPP-UHFFFAOYSA-N	382.504	3.472	70	40	GGIB	
CCOc1ccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1	218578846	KJUHXQMXGAHQMD-UHFFFAOYSA-N	390.505	3.128	70	40	GGIB	
CCS(=O)(=O)Nc1ccc(C(=O)NCCCc2ccccc2Cl)cc1	218638751	GPQBPXDUTQGZDB-UHFFFAOYSA-N	380.897	3.464	70	40	GGIB	
COc1ccc(-c2noc(CNC(=O)COc3ccc(C)c(C)c3)n2)c(OC)c1	218723514	MMSJOLTWVCASQF-UHFFFAOYSA-N	397.431	3.066	70	40	GGIB	
COc1ccc(-c2noc(CNC(=O)c3ccc(CN4CCCC4)cc3)n2)cc1	218610871	QEVXROVNXNNJSK-UHFFFAOYSA-N	392.459	3.271	70	40	GGIB	
O=C(CCc1ccccc1Br)NC[C@H](O)c1ccc2c(c1)CCO2	217584913	KOJBRWGSOVKLDA-KRWDZBQOSA-N	390.277	3.166	70	40	GGIB	
CCOC[C@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1	218619008	MSSOBZACPSHRLY-AOIWGVFYSA-N	393.505	3.074	70	40	GGIB	
O=C(Cc1ccccc1Cl)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217842566	LCIQYNOYNXATDE-CQSZACIVSA-N	397.866	3.204	70	40	GGIB	
O=C1O[C@]2(CCCN(C(=O)c3ccc(Cn4ccnc4)cc3)C2)c2ccccc21	217599800	UWZAIJWLSJJJOQ-QHCPKHFHSA-N	387.439	3.233	70	40	GGIB	
CCc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C(=O)OC)c3)nn2)cc1	216769231	LTYFYQBOBXOLHL-OAQYLSRUSA-N	392.459	3.211	70	40	GGIB	
COc1ccc(S(=O)(=O)NCCC2CCN(C)CC2)c(Cl)c1Cl	216938397	XBNQFZVOKBGMNH-UHFFFAOYSA-N	381.325	3.012	70	40	GGIB	
Cn1c(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc2ccc(Cl)cc21	217920770	QAALBDAIFZBYMJ-DZGCQCFKSA-N	381.863	3.253	70	40	GGIB	
Cc1cc(C(=O)NCCCc2ccc(Cl)cc2)ccc1NS(C)(=O)=O	218594641	LIZOKADEIUTCEH-UHFFFAOYSA-N	380.897	3.383	70	40	GGIB	
COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccccc1F	217914552	OVMVXIILGCKNNR-CRAIPNDOSA-N	389.398	3.119	70	40	GGIB	
CCOc1ccc(NC(=O)c2ccc(C(C)=O)cc2)cc1S(=O)(=O)Cl	95698398	CBXOPBXMLRWOQV-UHFFFAOYSA-N	381.837	3.468	70	40	GGIB	
COc1ccc(CSCC(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1	218113968	KZIUSMPUDWTBDI-UHFFFAOYSA-N	391.489	3.271	70	40	GGIB	
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cc(-c2ccccc2)on1	218008349	PUVXFHBBRDPFBF-QFIPXVFZSA-N	378.428	3.304	70	40	GGIB	
O=C(c1cc(Br)c(S(=O)(=O)Cl)[nH]1)C(Cl)(Cl)Cl	100566177	RAHWYQBQBCCCDW-UHFFFAOYSA-N	389.869	3.258	70	40	GGIB	
CSc1nc(Nc2ccc(Br)cc2)cc(N2CCN(C)CC2)n1	216851307	NHUGIXAUQAXCSL-UHFFFAOYSA-N	394.342	3.456	70	40	GGIB	
Cc1nnsc1C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1	217798051	FQNQFFSETHTCTP-LBPRGKRZSA-N	387.440	3.131	70	40	GGIB	
O=C(c1ccc2nsnc2c1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217655966	ALLFUQPVSPQFBR-OAHLLOKOSA-N	376.445	3.037	70	40	GGIB	
O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217821017	GTUNKCUUZMWVGB-NSHDSACASA-N	399.875	3.383	70	40	GGIB	
O=C(c1ccncc1)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1	217595852	VGKBKZYZNBYCDP-JOCHJYFZSA-N	379.504	3.367	70	40	GGIB	
COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1c[nH]c2ccccc12	217953761	IZOFLBBINLSXJG-ACJLOTCBSA-N	382.391	3.142	70	40	GGIB	
Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)CC(C)(C)O2	218567715	DYACUNKEHHVCAB-QGZVFWFLSA-N	388.489	3.399	70	40	GGIB	
O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217815383	ILLHRDMDLMVCHQ-LLVKDONJSA-N	380.370	3.456	70	40	GGIB	
CSc1cccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1	218450098	RCJDBDBUMQFZIO-LBPRGKRZSA-N	382.482	3.341	70	40	GGIB	
C[C@@H](C(=O)Nc1ccccc1Br)N(c1ccccc1)S(C)(=O)=O	218282555	ZVKUZPRMKTWRJT-LBPRGKRZSA-N	397.294	3.242	70	40	GGIB	
Cc1cc(S(=O)(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)ccc1F	217666509	HAACJYSTIDUXOW-MRXNPFEDSA-N	386.452	3.028	70	40	GGIB	
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cccc(Br)c1	218008823	LNUZRYODJVAHQQ-LJQANCHMSA-N	390.277	3.412	70	40	GGIB	
CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1S(=O)(=O)Cl	95698138	GUIIJXZEFJKGOY-UHFFFAOYSA-N	398.824	3.482	70	40	GGIB	
O=C1O[C@@]2(CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)c2ccccc21	217619139	KAVLSFXXQOPYRG-LJQANCHMSA-N	391.876	3.332	70	40	GGIB	
Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217825291	QGRXSRNQFIJWKM-ZDUSSCGKSA-N	379.457	3.038	70	40	GGIB	
O=C(CCc1ccccc1Br)NC[C@@H](O)c1ccc2c(c1)CCO2	217585000	KOJBRWGSOVKLDA-QGZVFWFLSA-N	390.277	3.166	70	40	GGIB	
COc1cccc(-c2noc(CN(C)C(=O)COc3ccc(C)c(C)c3)n2)c1	218723807	METKQZSDJFHEFO-UHFFFAOYSA-N	381.432	3.399	70	40	GGIB	
O=S(=O)(c1ccc(Cl)s1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217666830	CIHLLTCDGLWNCB-CYBMUJFWSA-N	394.909	3.296	70	40	GGIB	
O=S(=O)(NCC[C@@H](O)c1ccsc1)c1ccc(OC(F)(F)F)cc1	217539341	UWIIQBNDFPFXHV-CYBMUJFWSA-N	381.397	3.049	70	40	GGIB	
O=C(COc1ccc(Cl)cc1Cl)NCCn1ccnc1-c1cccnc1	217867038	MHQZSCGNGVULLS-UHFFFAOYSA-N	391.258	3.447	70	40	GGIB	
CCc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(C(=O)OC)c3)nn2)cc1	216769271	LTYFYQBOBXOLHL-NRFANRHFSA-N	392.459	3.211	70	40	GGIB	
Cc1ccc2c(c1)c1ncnc(N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c1n2C	217469139	DJYOXEJWDHCKCO-JKSUJKDBSA-N	385.471	3.215	70	40	GGIB	
O=C(c1ccc(Cl)s1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217844749	BXAZDMVFIOTYFW-NSHDSACASA-N	389.868	3.336	70	40	GGIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(NS(C)(=O)=O)cc1	218402739	UVGOPBJBBNIWIC-QGZVFWFLSA-N	388.489	3.399	70	40	GGIB	
CCOC[C@@]1(C(N)=S)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218053649	UEVNJXLUEQYYGM-WSTZPKSXSA-N	389.542	3.244	70	40	GGIB	
Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217825207	QGRXSRNQFIJWKM-CYBMUJFWSA-N	379.457	3.038	70	40	GGIB	
CC[C@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1	218752902	WUCQQFQWUSNHLP-LIRRHRJNSA-N	391.489	3.134	70	40	GGIB	
Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)CC(C)(C)O2	218402546	YXHSOPMWMHFBQW-QGZVFWFLSA-N	388.489	3.399	70	40	GGIB	
COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccccc3OC)n2)cc1	217969578	FVGZJWAGBWSQPK-JLHYYAGUSA-N	379.416	3.426	70	40	GGIB	
COc1cccc(-c2noc(CN(C)C(=O)c3ccc(OC)c(OC)c3)n2)c1	217881649	AOJAKNNUTBMTEH-UHFFFAOYSA-N	383.404	3.035	70	40	GGIB	
Cc1cc(C)cc(N(CC(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1	218240505	HBCGPSNXKBMGDE-UHFFFAOYSA-N	390.505	3.495	70	40	GGIB	
O=C(c1ccc(-c2ccsc2)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1	217726296	AUSHWXVJVCPSNL-OALUTQOASA-N	392.480	3.191	70	40	GGIB	
Cc1ccc(/C=C/S(=O)(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)cc1	217674658	FBQGLGLLNTVMLT-VAWYXSNFSA-N	380.473	3.111	70	40	GGIB	
CCCOc1ccccc1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1	218401800	VCVSMPOMAFQJCD-UHFFFAOYSA-N	390.505	3.210	70	40	GGIB	
CC(C)Oc1ccc(CCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1	217896706	MLMHFEJMAHRHPQ-RBUKOAKNSA-N	380.488	3.214	70	40	GGIB	
O=C([C@H]1CC=CCC1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1	217592530	UFCFBWAYFFJZMZ-INIZCTEOSA-N	375.538	3.334	70	40	GGIB	
CCOC(=O)CCC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1	217796065	OUBJXVJVQMYSHJ-AWEZNQCLSA-N	389.427	3.000	70	40	GGIB	
Brc1cccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)c1	216781029	DTMMVBFINNOTAP-KRWDZBQOSA-N	389.253	3.213	70	40	GGIB	
O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217820921	GTUNKCUUZMWVGB-LLVKDONJSA-N	399.875	3.383	70	40	GGIB	
COc1ccc(-c2noc(CN(C)C(=O)COc3ccccc3C)n2)c(OC)c1	217828948	KAGUYFGGWLQERI-UHFFFAOYSA-N	397.431	3.100	70	40	GGIB	
O=C1O[C@]2(CCCN(C(=O)c3cncc(Br)c3)C2)c2ccccc21	217588729	WXLYBQGPBPOSQN-SFHVURJKSA-N	387.233	3.146	70	40	GGIB	
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)[C@H]1COc2ccccc2O1	218302305	XOYNPTKYSMYNEM-MRXNPFEDSA-N	385.807	3.188	70	40	GGIB	
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@@H]1COc2ccccc2O1	218302363	PLRIQVNJCFIILC-INIZCTEOSA-N	385.807	3.188	70	40	GGIB	
COc1ccccc1O[C@H](C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	217032154	TYAHGCWRTREAGI-QGZVFWFLSA-N	398.503	3.252	70	40	GGIB	
CN(c1ccc(C(=O)NCCCc2ccccc2Cl)cc1)S(C)(=O)=O	218333204	SFMZGKIVSKEKRK-UHFFFAOYSA-N	380.897	3.098	70	40	GGIB	
CC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1	218704350	FMMZZRKTDJQLDI-SCLBCKFNSA-N	379.453	3.264	70	40	GGIB	
CCOC[C@@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1	218508965	BSWHORNKXWHJMI-WSTZPKSXSA-N	389.542	3.244	70	40	GGIB	
COc1cccc(O[C@@H](C)C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1	217024953	WTOOKKITRNERCI-KRWDZBQOSA-N	398.503	3.252	70	40	GGIB	
COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccccc3)n2)c(OC)c1	217886262	AQCNHDASUPUFBB-FMIVXFBMSA-N	379.416	3.426	70	40	GGIB	
CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Cl	95698129	XJRYPCNUGBBNSV-UHFFFAOYSA-N	384.797	3.173	70	40	GGIB	
COc1ccc(/C=C/C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1	216926977	LRIPYFMWQMFWRS-KPKJPENVSA-N	380.488	3.498	70	40	GGIB	
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)CC(C)(C)O2	218402466	YXHSOPMWMHFBQW-KRWDZBQOSA-N	388.489	3.399	70	40	GGIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(NS(C)(=O)=O)c1	218567812	KAKMXWFOECBGTM-KRWDZBQOSA-N	388.489	3.399	70	40	GGIB	
COc1ccc(CCNC(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cc1	217818041	LXNZRXNYHWWOQU-INIZCTEOSA-N	384.480	3.162	70	40	GGIB	
O=S(=O)(Cl)c1cn(CCC(F)(F)F)nc1COCCC(F)(F)F	408717328	YMEAGTLWEBGQFU-UHFFFAOYSA-N	388.717	3.232	70	40	GGIB	
C[C@H](C(=O)Nc1ccccc1Br)N(c1ccccc1)S(C)(=O)=O	218282646	ZVKUZPRMKTWRJT-GFCCVEGCSA-N	397.294	3.242	70	40	GGIB	
Cc1cc(C(=O)NCCCc2ccccc2Cl)ccc1NS(C)(=O)=O	218594549	VTSPOWAGCVPIHM-UHFFFAOYSA-N	380.897	3.383	70	40	GGIB	
COc1ccc(O[C@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1	218753266	ICPORBKODYECQD-GFCCVEGCSA-N	387.823	3.482	70	40	GGIB	
COC(=O)CS[C@@H]1CCN(C(=O)CCc2c(OC)ccc3ccccc23)C1	217560121	RUBHSEMFVSXIRT-MRXNPFEDSA-N	387.501	3.288	70	40	GGIB	
C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O	216839927	OLUBLGKZPFGNKW-HZPDHXFCSA-N	386.517	3.148	70	40	GGIB	
O=C(CCn1ccc2c(Cl)cccc21)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	218110402	XJMYPRWUZLEGRG-JKSUJKDBSA-N	395.890	3.492	70	40	GGIB	
Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]4C2=O)no1	217698645	ITWDISDLRDQGCS-GZHDQSLTSA-N	393.443	3.032	70	40	GGIB	
O=C(NCCCN1CCCc2ccccc21)c1ccc(CN2CCOCC2)cc1	218077857	LEOOEHSIYMSXCD-UHFFFAOYSA-N	393.531	3.092	70	40	GGIB	
COc1ccc(O[C@@H](C)C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1	216947229	NCOKPYSPZZOKNO-KRWDZBQOSA-N	398.503	3.252	70	40	GGIB	
CSc1nc(Nc2cccc(Br)c2)cc(N2CCN(C)CC2)n1	216851267	ISWKYNVXGBAGMN-UHFFFAOYSA-N	394.342	3.456	70	40	GGIB	
O=C(c1ccc(Cl)s1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217844680	BXAZDMVFIOTYFW-LLVKDONJSA-N	389.868	3.336	70	40	GGIB	
COc1ccccc1/C=C/C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	216927704	SFSSJKVKQJBETF-FMIVXFBMSA-N	380.488	3.498	70	40	GGIB	
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)Nc1cccc(OC)c1OC	218013528	QIISRBXEMBHHGD-NRFANRHFSA-N	386.448	3.058	70	40	GGIB	
O=S(=O)(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(F)c(Cl)c1	218182721	PTYGOJAKXICTAG-NSHDSACASA-N	389.905	3.131	70	40	GGIB	
O=C1CSC(=O)N1[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1	217782730	BCUNMZJWALPENR-OAHLLOKOSA-N	392.908	3.448	70	40	GGIB	
CCOc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)CC)cc2)cc1	218640449	YUZCMWIJEYZQMS-UHFFFAOYSA-N	390.505	3.210	70	40	GGIB	
O=C(Cn1ccc2ccc(Cl)cc21)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	218100164	YTUNHWJMAHQXNT-GOEBONIOSA-N	381.863	3.102	70	40	GGIB	
CCc1ccc(OCC(=O)NCCC2CCN(C)CC2)c(Br)c1	217009622	JGVUJASBBATUOF-UHFFFAOYSA-N	383.330	3.238	70	40	GGIB	
COc1ccc(F)cc1S(=O)(=O)NC[C@@](C)(O)c1cc2ccccc2s1	217513028	KYPQQTSJTMNAJE-GOSISDBHSA-N	395.477	3.235	70	40	GGIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(OC)c(OC)c1OC	218754694	NDYDDAGETCHJLO-KRWDZBQOSA-N	389.448	3.195	70	40	GGIB	
COc1ccc(Cl)cc1S(=O)(=O)NC[C@](C)(O)c1cc2ccccc2o1	217998957	HACPIVLFNZDGDE-SFHVURJKSA-N	395.864	3.281	70	40	GGIB	
FC(F)(F)c1cccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)c1	216781143	ATYWKZXNKNBLMO-KRWDZBQOSA-N	378.354	3.469	70	40	GGIB	
CC(C)Oc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1	218453475	AWGUEMOMFSOQQJ-CQSZACIVSA-N	394.468	3.406	70	40	GGIB	
O=C(CCCc1c[nH]c2ccccc12)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217570784	UBSXHZRNVAOAFK-FUHWJXTLSA-N	375.472	3.298	70	40	GGIB	
CCOc1ccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccccc3)nn2)cc1	216682913	CXPWDPLBTHTHBO-NRFANRHFSA-N	394.500	3.499	70	40	GGIB	
O=S(=O)(c1ccc(Cl)s1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217666919	CIHLLTCDGLWNCB-ZDUSSCGKSA-N	394.909	3.296	70	40	GGIB	
C[C@H](NC(=O)C(=O)NC[C@@](C)(O)c1cc2ccccc2s1)c1ccccc1	217518255	MMVMZRVSAJOJEZ-LHSJRXKWSA-N	382.485	3.102	70	40	GGIB	
COc1ccc(/C=C/C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC	218191496	JQSHUCOHWMAKCI-WYMLVPIESA-N	384.476	3.368	70	40	GGIB	
CCOC(=O)CCC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1	217795992	OUBJXVJVQMYSHJ-CQSZACIVSA-N	389.427	3.000	70	40	GGIB	
Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1NS(C)(=O)=O)CC(C)(C)O2	218397238	QIQBUEFBTJZCRR-QGZVFWFLSA-N	388.489	3.399	70	40	GGIB	
CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(S(C)(=O)=O)cc1	218690037	DJXJSBZGLHFQPE-DNVCBOLYSA-N	375.490	3.433	70	40	GGIB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)CBr)cc1	34195272	UBCVNHCVNIFAFB-UHFFFAOYSA-N	382.279	3.230	70	40	GGIB	
COC(=O)CCC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1	102213365	QMKOFSHNERZWOC-UHFFFAOYSA-N	390.419	3.305	70	40	GGIB	
CO[C@H](CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1Cl	218322434	XXCLDVNOBMIIQT-QGZVFWFLSA-N	381.881	3.008	70	40	GGIB	
COc1ccc(-c2noc(CNC(=O)c3ccccc3SC)n2)c(OC)c1	218194315	XOBUAUWETZLNGZ-UHFFFAOYSA-N	385.445	3.406	70	40	GGIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(OC)c(OC)c1OC	218754645	NDYDDAGETCHJLO-QGZVFWFLSA-N	389.448	3.195	70	40	GGIB	
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(COC)C(N)=S)cc1	218564701	VVYIWTJQAODLMA-GGPKGHCWSA-N	389.542	3.108	70	40	GGIB	
Cn1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2F)cn1	217974577	SBHATFQGJDDQJN-UHFFFAOYSA-N	398.423	3.047	70	40	GGIB	
CN1CCC(CCNC(=O)COc2ccc(Cl)cc2Br)CC1	216950628	ZQYXHQUQRGGQIF-UHFFFAOYSA-N	389.721	3.329	70	40	GGIB	
Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1NS(C)(=O)=O	159807458	IQAZUKUHAYPYSR-KRWDZBQOSA-N	388.489	3.399	70	40	GGIB	
CCOC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1	218615443	UFYMSYOKFGVYGB-LNLFQRSKSA-N	393.505	3.074	70	40	GGIB	
Cc1noc(-c2c(NC(=O)CCc3c(C)noc3C)sc3c2CCOC3)n1	217963382	NGOXGLWSQGFCKW-UHFFFAOYSA-N	388.449	3.355	70	40	GGIB	
COC[C@@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218481277	YBWPARURZLVMGE-WSTZPKSXSA-N	389.542	3.162	70	40	GGIB	
COC(=O)CS[C@H]1CCN(C(=O)CCc2ccc(C(F)(F)F)cc2)C1	217560501	LWJDKRAJHCSDOW-AWEZNQCLSA-N	375.412	3.145	70	40	GGIB	
COc1cccc(-c2noc(CNC(=O)c3cc4cccc(OC)c4o3)n2)c1	218618733	WCEWFASFADZMNA-UHFFFAOYSA-N	379.372	3.430	70	40	GGIB	
CCOc1ccccc1Cn1cc([C@@H]2SCC(=O)N2Cc2ccccc2)nn1	216683735	WANOOOKHMBLYGC-NRFANRHFSA-N	394.500	3.499	70	40	GGIB	
CN(C)S(=O)(=O)c1ccc(C(=O)NCC2(c3ccsc3)CCCC2)cc1	217482843	ZQNUEQCDJGTINM-UHFFFAOYSA-N	392.546	3.240	70	40	GGIB	
Cc1cc(O[C@H]2CCN(C(=O)C3(c4cccs4)CCCC3)C2)cc(=O)n1C	217771728	PUFYRXKPTNDGFD-INIZCTEOSA-N	386.517	3.247	70	40	GGIB	
CC[C@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc(S(C)(=O)=O)cc1	218696419	RQCIPUWIISOLNM-IBGZPJMESA-N	375.490	3.353	70	40	GGIB	
COc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccccc3OC)n2)c1	217969484	BMAZQNZCAYCZPI-VAWYXSNFSA-N	379.416	3.426	70	40	GGIB	
Cc1cncc(N2CCC[C@@H](C(=O)Oc3c(F)c(F)c(F)c(F)c3F)C2)n1	100040115	CDEUDOARBGUKPM-SECBINFHSA-N	387.308	3.303	70	40	GGIB	
CN(CCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccccc1	217166624	MEUJMBLSXHFDTC-FXBPSFAMSA-N	389.455	3.303	70	40	GGIB	
COC(=O)CS[C@@H]1CCN(C(=O)CCc2ccc(C(F)(F)F)cc2)C1	217560421	LWJDKRAJHCSDOW-CQSZACIVSA-N	375.412	3.145	70	40	GGIB	
COc1ccc(OC[C@@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1	218316577	XEKFHSWCSNTZJA-OAHLLOKOSA-N	390.439	3.392	70	40	GGIB	
CCOc1ccccc1Cn1cc([C@H]2SCC(=O)N2Cc2ccco2)nn1	216686452	XFVHMRSGBBKYEI-LJQANCHMSA-N	384.461	3.092	70	40	GGIB	
COc1cccc(OC)c1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	216930224	TXLWFFDWGKUMRA-UHFFFAOYSA-N	384.476	3.107	70	40	GGIB	
C[C@@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O	218284467	REGOWUKXDDUNGS-HNNXBMFYSA-N	394.924	3.244	70	40	GGIB	
COC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1	218481345	YBWPARURZLVMGE-BJLQDIEVSA-N	389.542	3.162	70	40	GGIB	
COc1ccc(CSCC(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1	218117245	MMIRKVYRAHIJIE-UHFFFAOYSA-N	399.472	3.303	70	40	GGIB	
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1NS(C)(=O)=O)CC(C)(C)O2	218397156	QIQBUEFBTJZCRR-KRWDZBQOSA-N	388.489	3.399	70	40	GGIB	
COc1ccc(-c2noc(CNC(=O)Cc3ccc(Cl)cc3)n2)c(OC)c1	218531261	DGDPTVZQVJPKFH-UHFFFAOYSA-N	387.823	3.266	70	40	GGIB	
O=C1O[C@@]2(CCCN(C(=O)c3cc(-c4cccs4)[nH]n3)C2)c2ccccc21	217595251	PZOHVWWUYOLGBS-HXUWFJFHSA-N	379.441	3.440	70	40	GGIB	
COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cccc(C)c3)n2)c(OC)c1	218690575	SHDLDOAJAQGCNA-AWEZNQCLSA-N	397.431	3.146	70	40	GGIB	
COc1cccc(-c2noc(CNC(=O)/C=C/c3ccc(OC)c(OC)c3)n2)c1	217926341	AFOIIJHPDULIKQ-CSKARUKUSA-N	395.415	3.092	70	40	GGIB	
CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(COC)C(N)=S)cc1	218564632	VVYIWTJQAODLMA-BJLQDIEVSA-N	389.542	3.108	70	40	GGIB	
C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	216946255	QZLDZACKFPIDBL-MRXNPFEDSA-N	386.467	3.382	70	40	GGIB	
Cn1cc(CC(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)c2ccccc21	217661130	STYKUCJOKPKLOP-IBGZPJMESA-N	385.471	3.453	70	40	GGIB	
COc1cccc(O[C@H](C)C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1	217024997	WTOOKKITRNERCI-QGZVFWFLSA-N	398.503	3.252	70	40	GGIB	
O=C(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(Cn2ccnc2)cc1	218161275	YKVWMEKDWKUWOD-QGZVFWFLSA-N	381.505	3.034	70	40	GGIB	
COc1cccc(C(=O)N(C)Cc2nc(-c3ccc(OC)cc3OC)no2)c1	217940844	PMZPJNPYGSIJCK-UHFFFAOYSA-N	383.404	3.035	70	40	GGIB	
CCOC[C@@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1	218619082	MSSOBZACPSHRLY-ZIFCJYIRSA-N	393.505	3.074	70	40	GGIB	
Cc1cc(OCC(=O)NCCC2CCN(C)CC2)cc(C)c1Br	216950469	NEXLJKCDBFOISP-UHFFFAOYSA-N	383.330	3.293	70	40	GGIB	
COc1ccc(S(=O)(=O)Cl)cc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1	110167332	QVRQNJHRIVNSEN-FNORWQNLSA-N	381.793	3.427	70	40	GGIB	
O=C(CN1C(=O)c2cccc3cccc1c23)NCc1nc(-c2ccccc2)no1	218320105	LJCAIBNVBPDNFJ-UHFFFAOYSA-N	384.395	3.166	70	40	GGIB	
CC(C)Oc1ccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	218283059	LADKREYEKKUUDS-HNNXBMFYSA-N	376.478	3.267	70	40	GGIB	
COc1ccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccccc3)nn2)cc1	216682807	SSVYDOLRDLCYES-FQEVSTJZSA-N	380.473	3.109	70	40	GGIB	
COc1ccc(O[C@H](C)C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1	216947252	NCOKPYSPZZOKNO-QGZVFWFLSA-N	398.503	3.252	70	40	GGIB	
O=[N+]([O-])c1ccc(OCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	100354678	MAAHAOMGWIAKSE-UHFFFAOYSA-N	375.761	3.364	70	40	GGIB	
COc1ccc(-c2noc(CNC(=O)CCCOc3ccccc3)n2)c(OC)c1	218728402	MUNBJXAFYNTUGY-UHFFFAOYSA-N	397.431	3.229	70	40	GGIB	
O=S(=O)(Nc1cnn(CC2CCOCC2)c1)c1ccc(C(F)(F)F)cc1	218243994	VQZRPEBWZOZJFT-UHFFFAOYSA-N	389.399	3.129	70	40	GGIB	
COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(C)cc3)n2)c(OC)c1	218181774	DUWMOEIZXFZTHE-DHZHZOJOSA-N	379.416	3.392	70	40	GGIB	
CC(C)c1ccc(CCCNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1	218227766	LUEMNBKKGUWBRS-UHFFFAOYSA-N	388.533	3.325	70	40	GGIB	
CC[C@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1	218752821	WUCQQFQWUSNHLP-KUHUBIRLSA-N	391.489	3.134	70	40	GGIB	
Cc1cnc(C(=O)N2CCC(N3CCC[C@H]3COCc3ccccc3)CC2)cn1	217600151	MOGPRNNDVBMCBB-NRFANRHFSA-N	394.519	3.071	70	40	GGIB	
Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	218578697	GMWHWYVGTLGQFR-QGZVFWFLSA-N	388.489	3.399	70	40	GGIB	
O=S(=O)(F)c1cccc(-c2nc(O)c3cc(Br)ccc3n2)c1	685945033	PEKHPCWHPZNYBA-UHFFFAOYSA-N	383.198	3.423	70	40	GGIB	
Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1	218353669	SONYLSOONKIVEP-ROUUACIJSA-N	388.533	3.287	70	40	GGIB	
C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1cc2ccccc2s1)c1ccccc1	217518121	MMVMZRVSAJOJEZ-QKKBWIMNSA-N	382.485	3.102	70	40	GGIB	
CCOc1ccc(C)cc1S(=O)(=O)NC[C@@](C)(O)c1cc2ccccc2o1	217998355	VSZIADUJQUNZLK-HXUWFJFHSA-N	389.473	3.326	70	40	GGIB	
CCc1ccccc1N(CC(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O	218245036	LCPZPVZNLAWJCL-KRWDZBQOSA-N	388.533	3.153	70	40	GGIB	
O=S(=O)(/C=C/c1ccccc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217666119	HZFINPLKXVBSRI-XYDKVEKUSA-N	380.473	3.193	70	40	GGIB	
Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1C	218462024	ZHAWWZBWQJQRSB-HOTGVXAUSA-N	392.496	3.474	70	40	GGIB	
Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3snnc3C)C2)n1	217829498	JMBLTEBDXZXQNK-AWEZNQCLSA-N	383.477	3.300	70	40	GGIB	
Cc1ccc2c(C(=O)CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(C)[nH]c2c1	217407509	HRMQEOCUSMGTOV-DLBZAZTESA-N	375.472	3.248	70	40	GGIB	
CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CCCN2[C@@H]3C(=O)c2ccccc2)cc1	217574489	BRHTWTJGFOAPDG-CGXNFDGLSA-N	388.467	3.084	70	40	GGIB	
COc1ccc(CSCC(=O)NCc2ccc(OC)c(OC)c2OC)cc1	218112310	BVUTUQWDPOBGFY-UHFFFAOYSA-N	391.489	3.271	70	40	GGIB	
Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3snnc3C)C2)n1	217829577	JMBLTEBDXZXQNK-CQSZACIVSA-N	383.477	3.300	70	40	GGIB	
CCCCOc1ccc(NC(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)cc1	217736132	NZSCWYNJBRMXMP-KDURUIRLSA-N	397.475	3.033	70	40	GGIB	
COC1CCN(C2CCN(C(=O)CCc3ccc(SC)cc3)CC2)CC1	217767135	WTVHFAKVJKLROP-UHFFFAOYSA-N	376.566	3.443	70	40	GGIB	
CCOc1ccc(S(=O)(=O)NC[C@](C)(O)c2cc3ccccc3o2)cc1F	217998649	ILDZTXUXZJJDBV-IBGZPJMESA-N	393.436	3.157	70	40	GGIB	
CCOc1ccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccco3)nn2)cc1	216685666	JUZVDZGTTRCFJW-LJQANCHMSA-N	384.461	3.092	70	40	GGIB	
COC[C@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218481189	YBWPARURZLVMGE-HBFSDRIKSA-N	389.542	3.162	70	40	GGIB	
CCOc1cccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccccc3)nn2)c1	216683855	RDCNKFPBFUGYIC-NRFANRHFSA-N	394.500	3.499	70	40	GGIB	
Cn1nc(CN(Cc2ccco2)C(=O)Nc2ccc3c(c2)OCO3)c2c1CCC2	217905486	NJRDZBNTUFIEKX-UHFFFAOYSA-N	394.431	3.465	70	40	GGIB	
CCOc1ccc(NC(=O)[C@@]23C[C@@H]4C[C@@H](C[C@@](n5nnc(C)n5)(C4)C2)C3)cc1	217543594	VJOJATKERDCAGV-IFCLKOLQSA-N	381.480	3.314	70	40	GGIB	
CC[C@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1	218723282	HMPGTDIFPUEDNP-IBGZPJMESA-N	375.490	3.353	70	40	GGIB	
CCc1ccc(N2CCO[C@@H]2c2cn(Cc3ccc(C(=O)OC)cc3)nn2)cc1	216769344	NBJSXYLHCZZYAA-OAQYLSRUSA-N	392.459	3.211	70	40	GGIB	
CN1CCC(Oc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2)CC1	216948871	IDSPRBVSSPNISS-UHFFFAOYSA-N	378.469	3.241	70	40	GGIB	
Cc1cc(-c2ccncc2)nn1CCNC(=O)c1ccc(C(F)(F)F)nc1	217870051	YZUWJVSNXSCPQF-UHFFFAOYSA-N	375.354	3.097	70	40	GGIB	
COc1ccc(CSCC(=O)NCc2nc(-c3cccs3)no2)cc1	218117738	SREJPPUAKAYPPG-UHFFFAOYSA-N	375.475	3.356	70	40	GGIB	
Cn1cc([C@@H](O)CNC(=O)c2cc(Br)cs2)c2ccccc21	217575035	JLUPBKVNODVMAR-AWEZNQCLSA-N	379.279	3.466	70	40	GGIB	
CN(c1cccc(NC(=O)c2ccccc2Br)c1)S(C)(=O)=O	218220793	XMNLGSIQUZKXCD-UHFFFAOYSA-N	383.267	3.097	70	40	GGIB	
COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)cc1	217921606	JFLVIDITIWOWJZ-AWNIVKPZSA-N	379.416	3.426	70	40	GGIB	
COc1ccccc1NC(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217848412	SRGGTRKVEPHQCU-CQSZACIVSA-N	394.435	3.022	70	40	GGIB	
O=C(Cn1ccc2c(Cl)cccc21)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217976822	RLGZRSTXFWOOBB-LSDHHAIUSA-N	381.863	3.102	70	40	GGIB	
COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1sccc1C	217916216	NEHLKCYFWNGFBX-GOEBONIOSA-N	391.464	3.350	70	40	GGIB	
C[C@@H](C(=O)NCCCc1ccccc1Cl)N(c1ccccc1)S(C)(=O)=O	218284340	APIXYIJUUCGUTP-HNNXBMFYSA-N	394.924	3.244	70	40	GGIB	
COc1cc(C(=O)NCCCN2CCCc3ccccc32)cc(OC)c1OC	218130535	KMBZDMNGUCXSNO-UHFFFAOYSA-N	384.476	3.285	70	40	GGIB	
COc1ccc(CSCC(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1	218117360	WNNBHBCDFPWSNG-UHFFFAOYSA-N	399.472	3.303	70	40	GGIB	
Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCCc1ccc(Cl)cc1	218577395	WSIVZJGHNOXURE-UHFFFAOYSA-N	380.897	3.383	70	40	GGIB	
Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	218578748	GMWHWYVGTLGQFR-KRWDZBQOSA-N	388.489	3.399	70	40	GGIB	
CN1CCC(OC(=O)Nc2cccc3c(S(=O)(=O)Cl)cccc23)CC1	110167029	PWSSHAVTXBGBRM-UHFFFAOYSA-N	382.869	3.410	70	40	GGIB	
CO[C@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccccc1Cl	218327789	QFOGWGWDNWDQAG-GOSISDBHSA-N	395.908	3.180	70	40	GGIB	
CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Cl	95698130	WYXZDULKLFDZIL-UHFFFAOYSA-N	384.797	3.173	70	40	GGIB	
COc1ccc(C(=O)NC[C@](C)(O)c2cc3ccccc3o2)c(OC)c1OC	217991120	YAQKVMALYRMRKQ-NRFANRHFSA-N	385.416	3.096	70	40	GGIB	
CC(=O)OC(C)(C)C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1	217832504	NWSIUQQETLRGIE-MRXNPFEDSA-N	385.464	3.168	70	40	GGIB	
O=C(c1cc2ccccc2oc1=O)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217657031	KJUVBYNSRKNIKV-KRWDZBQOSA-N	386.411	3.139	70	40	GGIB	
CO[C@@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccccc1Cl	218327729	QFOGWGWDNWDQAG-SFHVURJKSA-N	395.908	3.180	70	40	GGIB	
COc1ccc(OC)c(NC(=O)C(=O)NCC2(c3ccsc3)CCCC2)c1	217485458	OMMUPZJBXULMKE-UHFFFAOYSA-N	388.489	3.332	70	40	GGIB	
Cn1nc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)c2c1CCC2	217907201	HJKNYUVEOFBSAZ-UHFFFAOYSA-N	389.452	3.032	70	40	GGIB	
CC[C@@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1	218752855	WUCQQFQWUSNHLP-IFXJQAMLSA-N	391.489	3.134	70	40	GGIB	
COC(=O)c1sc(C(F)(F)F)c(Br)c1S(=O)(=O)Cl	97945801	POUVHPJVCGVIDP-UHFFFAOYSA-N	387.582	3.244	70	40	GGIB	
Cc1cncc(N2CCC[C@H](C(=O)Oc3c(F)c(F)c(F)c(F)c3F)C2)n1	100040109	CDEUDOARBGUKPM-VIFPVBQESA-N	387.308	3.303	70	40	GGIB	
O=C(c1ccc2nsnc2c1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217656059	ALLFUQPVSPQFBR-HNNXBMFYSA-N	376.445	3.037	70	40	GGIB	
CCOc1ccc(C(=O)NCCn2nc(-c3ccncc3)cc2C)cc1OCC	217868026	SBFTYTMDYKJFLX-UHFFFAOYSA-N	394.475	3.481	70	40	GGIB	
CC(C)Oc1cccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1	218453667	ULDBCLRYGJCITH-CQSZACIVSA-N	394.468	3.406	70	40	GGIB	
CCOC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1	218509040	BSWHORNKXWHJMI-BJLQDIEVSA-N	389.542	3.244	70	40	GGIB	
COC(=O)CS[C@H]1CCN(C(=O)CCc2c(OC)ccc3ccccc23)C1	217560027	RUBHSEMFVSXIRT-INIZCTEOSA-N	387.501	3.288	70	40	GGIB	
Cc1ccc(-n2c(SCCS(=O)(=O)F)nc3ccccc3c2=O)cc1	100981232	DKNOTWGQVZAVBY-UHFFFAOYSA-N	378.450	3.086	70	40	GGIB	
O=C(c1ccc(-c2ccsc2)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1	217726213	AUSHWXVJVCPSNL-KDURUIRLSA-N	392.480	3.191	70	40	GGIB	
O=C(NC[C@@H]1CCCN(c2nccs2)C1)C1(c2ccccc2)CCOCC1	218127012	YRMJWDCXAZLGDZ-KRWDZBQOSA-N	385.533	3.224	70	40	GGIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2cccc(OC)c2)no1	218759812	BIPGIEYDVGHIJF-SFHVURJKSA-N	397.431	3.228	70	40	GGIB	
O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@H](O)c1ccc2c(c1)CCO2	217585350	ZUIDSALDZFZHFI-QGZVFWFLSA-N	379.378	3.423	70	40	GGIB	
COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1c[nH]c2ccccc12	217953682	IZOFLBBINLSXJG-SCLBCKFNSA-N	382.391	3.142	70	40	GGIB	
CCOC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)F)cc3)cc(O)c2c1	8585953	RPVWQFIPQQFZDG-UHFFFAOYSA-N	375.377	3.442	70	40	GGIB	in-vitro
CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(S(C)(=O)=O)cc1	218690161	DJXJSBZGLHFQPE-HNAYVOBHSA-N	375.490	3.433	70	40	GGIB	
COc1ccccc1Cn1cc([C@@H]2SCC(=O)N2Cc2ccccc2)nn1	216682692	AVESLPHGFRMHPO-FQEVSTJZSA-N	380.473	3.109	70	40	GGIB	
O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217820141	DEISYCQGSISPNC-SNVBAGLBSA-N	387.914	3.305	70	40	GGIB