smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC[C@]1(C)C[C@@H]1C(=O)NCCc1ccccc1C	159838456	QSXVUUDWVAYMHH-GDBMZVCRSA-N	245.366	3.090	70	20	BGID	
CCO[C@@H](C)c1nccn1C[C@@H](C)CC	161454710	LAYXFVZXUGDOGE-QWRGUYRKSA-N	210.321	3.027	70	20	BGID	
Cc1cc(NCCc2cccc(F)c2)ccn1	160915874	WARVXWAIXGWDCA-UHFFFAOYSA-N	230.286	3.184	70	20	BGID	
CSCCNC1CCC2(CCCC2)CC1	161366100	IXCMSSLVQMOLBJ-UHFFFAOYSA-N	227.417	3.442	70	20	BGID	
CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C)nc1	161314846	SFTVIKDSMOIWLP-DGCLKSJQSA-N	247.342	3.090	70	20	BGID	
CCC(CC)CC(=O)NCC1(C2CC2)CC1	159852632	CKOPCTRJTOFWAT-UHFFFAOYSA-N	223.360	3.119	70	20	BGID	
CS[C@@H](C)CC(=O)Nc1c(F)cccc1F	160643405	SFELHPQCEXLSHD-ZETCQYMHSA-N	245.294	3.045	70	20	BGID	
CCc1sc(-c2ccccn2)nc1C	218638453	FMNQGCPYTYFXHZ-UHFFFAOYSA-N	204.298	3.076	70	20	BGID	
CCCCCn1nc(C2CC2)nc1C1CC1	159868238	IEEVVOLPEYHDBW-UHFFFAOYSA-N	219.332	3.223	70	20	BGID	
O=C(N[C@@H]1CCCc2sccc21)C1=CCCC1	160123422	ZACYLALMYHHUDX-GFCCVEGCSA-N	247.363	3.352	70	20	BGID	
CCC(C)(C)C(=O)N1CCc2c(F)cccc2C1	161009663	RKSIMNSMOCJVRG-UHFFFAOYSA-N	249.329	3.147	70	20	BGID	
CC(=O)N1CCCC[C@@H]1CCCc1ccccc1	161363770	ZORBGQKENBSHON-MRXNPFEDSA-N	245.366	3.410	70	20	BGID	
Cc1ccccc1C(=O)N1[C@@H](C)CC[C@H]1C	161402343	GSOJIBKSGLEZCX-TXEJJXNPSA-N	217.312	3.008	70	20	BGID	
CCC[C@H](C)OC(=O)c1cc(F)cnc1Cl	218158962	YHYFMOVEXPIQCY-ZETCQYMHSA-N	245.681	3.220	70	20	BGID	
CCCCCNC(=O)NCCc1ccccc1C	217315661	AVMIRRZCQOHSQV-UHFFFAOYSA-N	248.370	3.027	70	20	BGID	
C[C@H]1CCC[C@H](CNC(=O)N2CCCCC2)C1	218048483	HBPRCGRFDNCTBM-STQMWFEESA-N	238.375	3.008	70	20	BGID	
Cc1ccc(N[C@@H](C)CCn2cccn2)c(C)c1	159362208	BDHLVXXYMSKDOQ-AWEZNQCLSA-N	243.354	3.391	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1c(C)cc(C)nc1C	160789103	CYKQWAHHRIGVNJ-WFASDCNBSA-N	246.354	3.382	70	20	BGID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)C(C)C	160938020	VVYZBYLHBBUSQU-NWDGAFQWSA-N	211.349	3.070	70	20	BGID	
O=C(CSc1ccc(F)cc1)C1CCC1	161292826	MUAAXLIUJWPSPI-UHFFFAOYSA-N	224.300	3.287	70	20	BGID	
CCN(CC)C(=O)c1ccccc1CC(C)C	218260393	KHDJZJFUZPBOFI-UHFFFAOYSA-N	233.355	3.367	70	20	BGID	
CCOc1ccccc1N(C)Cc1cccnc1	159390306	IIVUIUVNCOXGTK-UHFFFAOYSA-N	242.322	3.117	70	20	BGID	
Cc1ccc(F)cc1N[C@@H](C)CCn1cccn1	159390207	KDEOSZSSEDCBFT-LBPRGKRZSA-N	247.317	3.221	70	20	BGID	
Cc1cc(NCCc2ccccc2F)ccn1	160915568	SEOSVAXNIBMCEF-UHFFFAOYSA-N	230.286	3.184	70	20	BGID	
C[C@@H]1CCN(Cc2cccnc2Cl)C[C@@H]1C	160980651	BFZYDIRJHZKEJQ-MNOVXSKESA-N	238.762	3.213	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)N(C)Cc1ccc(C)cc1	159485721	CPEFLDKKYCSPNB-HOCLYGCPSA-N	245.366	3.390	70	20	BGID	
CCCN(C)C(=O)[C@@H](CC)c1ccc(F)cc1	159509941	YPXPOOPAMXDIIG-ZDUSSCGKSA-N	237.318	3.188	70	20	BGID	
CCCC[C@@H](C)Nc1ncccc1OC	159469159	KTACIFPLFYSGRQ-SNVBAGLBSA-N	208.305	3.081	70	20	BGID	
CCC(C)(CC)C(=O)NCCCCOC(C)C	159469863	SCNNHOONWZZFAK-UHFFFAOYSA-N	243.391	3.134	70	20	BGID	
CC(C)N(CC1=CCCOC1)C1CCCCC1	159771176	AGXYXRFDUSLSSC-UHFFFAOYSA-N	237.387	3.376	70	20	BGID	
CCc1ncnc(N[C@@H]2CCC[C@H](C)C2)c1F	217968589	RUGQTMVLDJPLSH-VHSXEESVSA-N	237.322	3.169	70	20	BGID	
CCOCCCN1CCC[C@@H]1C1CCCC1	159506483	GESWEOCCMFVNBW-CQSZACIVSA-N	225.376	3.068	70	20	BGID	
Cc1cc(Cl)ccc1C(=O)N1C[C@H]2CC[C@H]1C2	159696954	OIVSVVCJZAEVSI-JQWIXIFHSA-N	249.741	3.273	70	20	BGID	
Cc1cc(NC(=O)[C@H](C)c2cccs2)ccn1	159926069	MKTKKNYCKCYXJH-SNVBAGLBSA-N	246.335	3.194	70	20	BGID	
COc1cccc(CNc2ccnc(C)c2)c1	160913444	SPUPJHBMJOXNHJ-UHFFFAOYSA-N	228.295	3.011	70	20	BGID	
Cc1ccc(CN[C@H](C)CC(F)(F)F)s1	160943732	BRWXZCMTUFVLAF-SSDOTTSWSA-N	237.290	3.487	70	20	BGID	
CCCCCCOC(=O)c1cnccc1Cl	161408509	CMFXPJWEWFIJOP-UHFFFAOYSA-N	241.718	3.472	70	20	BGID	
CC[C@@H]1CCC[C@H]1NC(=O)c1sccc1C	159530155	UMSONIHSDVBGAI-GHMZBOCLSA-N	237.368	3.365	70	20	BGID	
C[C@H]1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1	218006829	OWVRNTVJFYDWTO-NWDGAFQWSA-N	249.329	3.382	70	20	BGID	
CCCc1ccc([C@@H](C)S(=O)(=O)Cl)cc1	88251340	WMPBMAOMBJQNSD-SECBINFHSA-N	246.759	3.269	70	20	BGID	
Cc1ccc(F)cc1C(=O)NCC1(C2CC2)CC1	160212585	VFNXCSHGASSPMY-UHFFFAOYSA-N	247.313	3.054	70	20	BGID	
Cc1cc(C(=O)N2CCCC[C@H]2C)cc(C)c1F	161148506	AZHUILDUDLLKJW-GFCCVEGCSA-N	249.329	3.457	70	20	BGID	
C[C@@H]1CCC[C@H](CN(C)CCc2ccncc2)C1	161251650	YZMGTJDJOHMLFA-ZBFHGGJFSA-N	246.398	3.382	70	20	BGID	
CCc1ncnc(NCCC2=CCCCC2)c1F	217954566	MUPOFGSLDFBWSI-UHFFFAOYSA-N	249.333	3.481	70	20	BGID	
CCC[C@H](C)C(=O)N1CC[C@@H]2CCCC[C@@H]21	160422950	KEGMTMSOFDESNZ-AVGNSLFASA-N	223.360	3.214	70	20	BGID	
CC[C@H]1CCC[C@H](NC(=O)NC2(C)CCC2)C1	161463801	MSLDTWODPZDTNM-RYUDHWBXSA-N	238.375	3.197	70	20	BGID	
CCC[C@@H](C)C(=O)OCc1nc(C)sc1C	160326814	SSTNKSKRNGCWEF-MRVPVSSYSA-N	241.356	3.239	70	20	BGID	
Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H](C)C2)cn1	161491324	QCLVVUGHSYZTCK-ZYHUDNBSSA-N	247.342	3.090	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)NCCc1ccccc1C	159838622	QSXVUUDWVAYMHH-GOEBONIOSA-N	245.366	3.090	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)NCc1ccc(C)c(F)c1	160283911	TVTSXAIYYVVVOO-DOMZBBRYSA-N	249.329	3.187	70	20	BGID	
C[C@H](C(=O)N[C@@H]1CCCc2sccc21)C1CC1	160196823	MTCIFMROIVMLCZ-JOYOIKCWSA-N	249.379	3.288	70	20	BGID	
CC[C@H](C)N[C@@H](CC)c1ccc(F)cn1	161304017	LODRCCBCZORBMP-ONGXEEELSA-N	210.296	3.060	70	20	BGID	
CCc1ccc(/C=C/C(=O)N(C)CCC2CC2)o1	161312806	VQLOBKMNHUPLIV-CMDGGOBGSA-N	247.338	3.114	70	20	BGID	
CCO[C@@H](C)c1nccn1CC1CCCC1	161508195	OETLAEMLNWNRAD-NSHDSACASA-N	222.332	3.171	70	20	BGID	
COCCN(C)Cc1cc(Cl)ccc1Cl	159477548	UQGFDPBHDACOAE-UHFFFAOYSA-N	248.153	3.072	70	20	BGID	
Cc1cc(NC[C@H]2CCC[C@@H](C)C2)nc(C)n1	217929591	YOLLUOVGWHVRCR-MFKMUULPSA-N	233.359	3.332	70	20	BGID	
CCc1noc([C@@H](C)N(CC)C[C@@H](C)CC)n1	160523581	SIBSOQFPPIZSHJ-WDEREUQCSA-N	239.363	3.061	70	20	BGID	
Cc1ccc([C@@H](C2CC2)S(=O)(=O)Cl)cc1	88251475	NEMNTBYZMTVNMU-NSHDSACASA-N	244.743	3.015	70	20	BGID	
CCc1ccccc1OCC(=O)OC1CCCC1	218474527	POTPATWQSGBVFW-UHFFFAOYSA-N	248.322	3.114	70	20	BGID	
CC[C@@H](Nc1cc(C)n(C)n1)c1ccc(F)cc1	159680152	HNQIIUSJCRBSTK-CYBMUJFWSA-N	247.317	3.431	70	20	BGID	
CCCN(CC1CC1)C(=O)NCC(CC)CC	160549098	BRXRBLQVYVJQIE-UHFFFAOYSA-N	240.391	3.254	70	20	BGID	
CC(C)N(C)C(=O)C1CCC(C)(C)CC1	161429112	USCNFHNKOYQOSB-UHFFFAOYSA-N	211.349	3.070	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)N(C)Cc1ccc(C)cc1	159485392	CPEFLDKKYCSPNB-GDBMZVCRSA-N	245.366	3.390	70	20	BGID	
CC[C@@H](NC(C)C)c1ccc(F)cc1F	160649538	WQKPEEYWCZMCLD-GFCCVEGCSA-N	213.271	3.414	70	20	BGID	
CCC[C@@H](C(=O)N1CCCC[C@@H]1C)C(C)C	161146647	LEVPSEHBPWJBAP-QWHCGFSZSA-N	225.376	3.460	70	20	BGID	
CC[C@H](CC1CCCC1)C(=O)NC1CC=CC1	160805801	IILLVMGJUIHVCH-CYBMUJFWSA-N	235.371	3.428	70	20	BGID	
CCC[C@H](C(=O)N1CCC[C@@H](C)C1)C(C)C	160962413	NAQCRHLEKNGOMQ-OLZOCXBDSA-N	225.376	3.317	70	20	BGID	
C[C@@H]1CCC[C@@H](CNc2ccccn2)C1	217921238	KVFVPYLESADDJP-VXGBXAGGSA-N	204.317	3.320	70	20	BGID	
Cc1n[nH]cc1CN(C(C)C)C1CCCCC1	159773139	YYUIFLXTMIDKEL-UHFFFAOYSA-N	235.375	3.261	70	20	BGID	
COCCCCCOc1ccc2[nH]ccc2c1	160065417	RRXLSACSJHUDMV-UHFFFAOYSA-N	233.311	3.363	70	20	BGID	
CCc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1	160518953	VVGHROVNHJRHIF-BETUJISGSA-N	245.366	3.367	70	20	BGID	
CC1(C)C[C@H](Nc2nccc3occc23)CCO1	160717311	SRDSDENIQYVKQQ-SNVBAGLBSA-N	246.310	3.197	70	20	BGID	
FC(F)(F)SCCN[C@H]1C[C@H]2CC[C@H]1C2	161429046	GYMBAQMZXRZCIL-CIUDSAMLSA-N	239.306	3.018	70	20	BGID	
C[C@H]1CCCC[C@H]1NC(=O)NCC1CCCC1	217570399	APZHLOAWTKXACQ-WCQYABFASA-N	238.375	3.055	70	20	BGID	
CCC[C@H](C)NC(=O)c1cccc(C)c1F	161395654	UMTAVFYHWFNYJA-JTQLQIEISA-N	223.291	3.053	70	20	BGID	
Cc1cc(N[C@@H](C)c2ccccc2F)nn1C	159579545	RHUURSAXYPCMNX-JTQLQIEISA-N	233.290	3.041	70	20	BGID	
CC(C)[C@@H](C)NC[C@@H](C)N(C)Cc1ccccc1	160860353	OWTLGCDBEMSAOF-HUUCEWRRSA-N	248.414	3.141	70	20	BGID	
CC[C@@H](NC[C@@H]1CCc2ccccc21)C1CC1	161001551	RERQRCINVZOQSA-GOEBONIOSA-N	229.367	3.495	70	20	BGID	
CC(C)(NC(=O)[C@H]1CC1(C)C)c1ccccc1	217375740	PSGIKKDJIWDAFP-GFCCVEGCSA-N	231.339	3.084	70	20	BGID	
C[C@@H]1CCCCN1Cc1csc(C2CC2)n1	161273114	NGLCCGOSJOLKEQ-SNVBAGLBSA-N	236.384	3.395	70	20	BGID	
CCCCCOc1ccc(N(C)C(C)=O)cc1	159720111	ITWFLFYQFNKXCC-UHFFFAOYSA-N	235.327	3.238	70	20	BGID	
CCC[C@@H](C(=O)Nc1nccs1)C(C)C	160958809	FRNRYUQLVLZLIR-SECBINFHSA-N	226.345	3.154	70	20	BGID	
CCC[C@H](C(=O)N1CCC(C)CC1)C(C)C	160563029	HFYHDUZAVUUQAJ-ZDUSSCGKSA-N	225.376	3.317	70	20	BGID	
CSC(C)(C)CNc1nc2ccccc2n1C	161088839	KZTWZAFLQYSKOX-UHFFFAOYSA-N	249.383	3.127	70	20	BGID	
CCN(Cc1ccccn1)C(=O)C(C)(CC)CC	159428545	LBVZSBZFZLFKHY-UHFFFAOYSA-N	248.370	3.256	70	20	BGID	
CN(Cc1cc(O)cc(F)c1)CC(C)(C)C	159831025	NVGPUHONIZLYDI-UHFFFAOYSA-N	225.307	3.009	70	20	BGID	
CC[C@@H](Nc1cnn(CC)c1)c1ccc(F)cn1	161318040	FPLCLHQHPAOOLM-GFCCVEGCSA-N	248.305	3.000	70	20	BGID	
Cc1cc(C)c([C@H](C)S(=O)(=O)Cl)c(C)c1	88251571	KZXMHXUBZMJNHK-JTQLQIEISA-N	246.759	3.241	70	20	BGID	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)C1=CCCC1	160218627	XKVFTLSZQACVSW-NSHDSACASA-N	247.313	3.455	70	20	BGID	
CC(C)n1cccc1C(=O)N1CCCC[C@@H]1C	161145835	DTVSSNXMVAQMBG-LBPRGKRZSA-N	234.343	3.084	70	20	BGID	
C[C@@H](c1ccc2ccccc2c1)N(C)C[C@@H](C)O	159535162	SQDHKFDMQIUDHM-OLZOCXBDSA-N	243.350	3.213	70	20	BGID	
CCc1noc(C)c1CSc1ccncc1	159916010	YKYPUFNNEDNGIJ-UHFFFAOYSA-N	234.324	3.233	70	20	BGID	
CC[C@@H](C)CN(C)Cc1cc(O)cc(F)c1	159818323	XNEMRHXNNQSHAF-SNVBAGLBSA-N	225.307	3.009	70	20	BGID	
CC[C@](C)(O)CN1C[C@H](c2ccccc2)C[C@@H]1C	161129263	QBDGIMZESUCLRH-IMJJTQAJSA-N	247.382	3.025	70	20	BGID	
Cc1cccc(C(=O)NCCCC(C)C)c1F	161444784	DJEZBHPZCITIMY-UHFFFAOYSA-N	237.318	3.300	70	20	BGID	
C[C@@H]1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1	218006904	OWVRNTVJFYDWTO-NEPJUHHUSA-N	249.329	3.382	70	20	BGID	
C[C@@H](c1ccco1)N(C(=O)[C@@H]1CC1(C)C)C1CC1	160665775	VDZGSCVWVXUBHC-JQWIXIFHSA-N	247.338	3.378	70	20	BGID	
CCCN(C)Cc1ncc(-c2ccccc2F)o1	159778593	OIHXLCYPICJIBN-UHFFFAOYSA-N	248.301	3.323	70	20	BGID	
CCC(C)(CC)C(=O)Nc1ncccc1Cl	159518103	HFTMBUCJOPJRQG-UHFFFAOYSA-N	240.734	3.500	70	20	BGID	
Cc1c(F)cccc1N[C@@H](C)CCn1cccn1	159406388	QFECXVANZDNEHA-NSHDSACASA-N	247.317	3.221	70	20	BGID	
CC(C)(C)C(=O)N1CC=C(C(C)(C)C)CC1	160960064	KDLJUYQHATYNIU-UHFFFAOYSA-N	223.360	3.237	70	20	BGID	
CC(C)[C@@H](C)NC[C@H](C)COCc1ccccc1	161298041	CPKFRRLAVOFKGC-LSDHHAIUSA-N	249.398	3.473	70	20	BGID	
COc1cccnc1N[C@@H]1CCC[C@@H](C)C1	159455653	QOIJXCIXUNLDEU-GHMZBOCLSA-N	220.316	3.081	70	20	BGID	
CCCCCn1ccnc1[C@@H](C)OCC	159880299	JYCMLGOTSWTVBS-LLVKDONJSA-N	210.321	3.171	70	20	BGID	
CCCCN(CCCOCC)CC(F)(F)F	159922024	XWCDRZANDHUJQL-UHFFFAOYSA-N	241.297	3.077	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)N(C)[C@@H](C)c1ccco1	161439883	PIELVYLWZIDWEF-COPLHBTASA-N	235.327	3.235	70	20	BGID	
CC(C)CNC(=O)NC(C)(C)CC(C)(C)C	217269482	AJXUSHUBLGBKSJ-UHFFFAOYSA-N	228.380	3.156	70	20	BGID	
CCOCCN[C@@H](CC)c1ccc(F)cc1F	160778677	BGNDVTCXUDSACY-ZDUSSCGKSA-N	243.297	3.042	70	20	BGID	
CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](C)C2)C1	160321871	XQQJILHWCRENBG-BFHYXJOUSA-N	237.387	3.461	70	20	BGID	
COc1cccc(CN2CC[C@@H]3CCCC[C@@H]32)c1	160555884	HSLHFQKDVHXAMW-HOCLYGCPSA-N	245.366	3.460	70	20	BGID	
COc1cccc(CSCCCF)c1	161067816	UPQGBHWYCNUBFU-UHFFFAOYSA-N	214.305	3.288	70	20	BGID	
CC[C@H](C(=O)NC1CC=CC1)c1ccc(F)cc1	161098690	CZJUWPDZSMMYRZ-AWEZNQCLSA-N	247.313	3.154	70	20	BGID	
Fc1ccc(OCc2nccs2)cc1F	161181229	GKSCXUKGKKVZAH-UHFFFAOYSA-N	227.235	3.000	70	20	BGID	
CCO[C@@H](C)c1nccn1C[C@H](C)CC	161454584	LAYXFVZXUGDOGE-MNOVXSKESA-N	210.321	3.027	70	20	BGID	
Cc1ccccc1[C@H](C)Nc1cc(C)n(C)n1	159577875	GKZUQUXFRSGQSR-LBPRGKRZSA-N	229.327	3.210	70	20	BGID	
CCCN(CC)c1ccncc1Br	159951883	VDWSHEXKSCVHOQ-UHFFFAOYSA-N	243.148	3.080	70	20	BGID	
CC(C)[C@H](CCc1ccccc1)NCC(C)(C)O	160640034	NNFWSLIVRVQMPD-HNNXBMFYSA-N	249.398	3.004	70	20	BGID	
CC[C@@H]1CCCC[C@@H]1NCCCn1ccnc1C	161412319	NPGCDNCPTIGXKL-CABCVRRESA-N	249.402	3.140	70	20	BGID	
CCc1ncnc(NCC(CC)CC)c1F	218007443	QAPJJYUHDWCFGJ-UHFFFAOYSA-N	225.311	3.026	70	20	BGID	
Cc1cccc(COC(=O)c2cnccc2C)c1	218088223	QDPJXTBYCQSJAQ-UHFFFAOYSA-N	241.290	3.055	70	20	BGID	
CCCCCn1nccc1-c1cccnc1	159651258	XAGQZPRYNYGTKH-UHFFFAOYSA-N	215.300	3.135	70	20	BGID	
CC[C@H](NCc1ccc(OC(C)C)nc1)C1CC1	160100506	IUNCNQXVOIYTAY-AWEZNQCLSA-N	248.370	3.147	70	20	BGID	
O=C(CC1=CCCCC1)NCC1(C2CC2)CC1	160206513	FXYPWSHBAVXEBW-UHFFFAOYSA-N	233.355	3.183	70	20	BGID	
CC[C@H]1CCC[C@H]1NC(=O)CCCCSC	159583770	WHNRCLLXZLRUBY-NWDGAFQWSA-N	243.416	3.215	70	20	BGID	
C[C@H](NCCO)c1ccc(C2CCCCC2)cc1	159700138	YIRXVQMTHRHYKC-ZDUSSCGKSA-N	247.382	3.377	70	20	BGID	
CCCC(=O)N[C@H](C)C1CCCCCC1	160674320	PCNNCTMLBRSXFB-LLVKDONJSA-N	211.349	3.262	70	20	BGID	
CS[C@@H](C)CC(=O)Nc1cccc(F)c1F	161405100	XVSNGESPBGYYQH-ZETCQYMHSA-N	245.294	3.045	70	20	BGID	
C[C@@H]1CC[C@@H](C)N1c1nc2cc(F)ccc2o1	161409609	KJCPBKFEUQLAOQ-RKDXNWHRSA-N	234.274	3.344	70	20	BGID	
O=S(=O)(Cl)[C@H]1CCCCC12CCCC2	306499534	JQQOSIHHHABBSZ-VIFPVBQESA-N	236.764	3.058	70	20	BGID	
CCOCCCN(CC)c1ccc(F)cc1	159449270	BJLXNBRXKDVGQU-UHFFFAOYSA-N	225.307	3.079	70	20	BGID	
CCCc1ccc(OCc2nnc(CC)o2)cc1	160934847	CQMWJBCIGXUBNG-UHFFFAOYSA-N	246.310	3.164	70	20	BGID	
CC[C@H](C)[C@@H](C)N[C@@H](C)c1cscn1	161166015	SKQDIJUSZZVVJD-AEJSXWLSSA-N	212.362	3.228	70	20	BGID	
CN(CCCC1CCCC1)C[C@H]1CCC[C@@H]1O	159762948	NXTCMKXNCRXSIK-CABCVRRESA-N	239.403	3.050	70	20	BGID	
CCCCN(CC)C(=O)[C@@H]1C[C@]1(C)CC	160735756	KXJAKKRLKZVMEU-AAEUAGOBSA-N	211.349	3.071	70	20	BGID	
COc1ccc(OCc2nc(C)cs2)cc1	160643104	VRSCVAQNUJAWDO-UHFFFAOYSA-N	235.308	3.039	70	20	BGID	
CC(C)[C@H]1CCC[C@H](S(=O)(=O)Cl)CC1	114438843	LFGKEDHEHHGNGY-UWVGGRQHSA-N	238.780	3.160	70	20	BGID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccncc1	161013500	RDZHQXJBJLFTMF-OCCSQVGLSA-N	246.354	3.122	70	20	BGID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccnc1	161014222	UMOYZXTZRYWBFA-TZMCWYRMSA-N	246.354	3.122	70	20	BGID	
CC(C)(C)c1nccc(Oc2ccc(F)nc2)n1	161256462	VDTCIJQGNCLZKB-UHFFFAOYSA-N	247.273	3.101	70	20	BGID	
CCN(Cc1cccc(F)c1)C(=O)C1=CCCC1	159621677	AWVAAGZVYJMFBU-UHFFFAOYSA-N	247.313	3.285	70	20	BGID	
C[C@H](CNc1nc2ccccc2[nH]1)C1CC1	160548279	ZTEMJXGLHCRNQK-SECBINFHSA-N	215.300	3.021	70	20	BGID	
C[C@H](Nc1nc2ccccc2n1C)C1CCC1	161091944	OVSBKCXETUQKRG-JTQLQIEISA-N	229.327	3.174	70	20	BGID	
C[C@@H](NCCc1cccs1)c1cscn1	161138237	RYQOVZDXRQSIQH-SECBINFHSA-N	238.381	3.098	70	20	BGID	
CC1(C(=O)N[C@@H]2CCCc3sccc32)CCC1	160154436	KESMMEWEKHASKJ-LLVKDONJSA-N	249.379	3.432	70	20	BGID	
CCSCCN1[C@@H](C)CCC[C@@H]1C	160542760	ILANRUJRBKZNJP-QWRGUYRKSA-N	201.379	3.002	70	20	BGID	
CC(C)c1ccc([C@H]2CCCCN2C(N)=O)cc1	160686810	JETRPJRPOXVCPD-CQSZACIVSA-N	246.354	3.416	70	20	BGID	
CCC(CC)CNC(=O)N1CCCC[C@@H]1CC	160592115	URTPBHVEKFKUHQ-ZDUSSCGKSA-N	240.391	3.397	70	20	BGID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)C1CC=CC1	161217963	JMFGDLQBRWYGMO-JSGCOSHPSA-N	235.371	3.380	70	20	BGID	
CC(C)(C)C[C@@H](CO)Nc1nc2ccccc2o1	161423415	ARIFNLBXGWRCGF-JTQLQIEISA-N	248.326	3.037	70	20	BGID	
C[C@H](Nc1nc2ccccc2[nH]1)C1CCC1	160557225	DNUSCMMHJSAPGD-VIFPVBQESA-N	215.300	3.163	70	20	BGID	
CO[C@H](CN[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	217701208	ZHLOMFSZLZACBH-JHJVBQTASA-N	227.392	3.216	70	20	BGID	
CCc1ncnc(N[C@@H](C)[C@H](C)CC)c1F	217988567	UYSSFLLHUPNYNB-BDAKNGLRSA-N	225.311	3.025	70	20	BGID	
CC(C)[C@H]1CCC[C@@H](S(=O)(=O)Cl)CC1	114438848	LFGKEDHEHHGNGY-VHSXEESVSA-N	238.780	3.160	70	20	BGID	
CS[C@H](C)CC(=O)N(C1CC1)[C@H](C)C(C)C	161036559	MUFAAJDYFJZOGM-GHMZBOCLSA-N	243.416	3.164	70	20	BGID	
C[C@@H]1CC[C@H](NC(=O)NC2(C)CCC2)[C@H](C)C1	161214896	BWOSARMMHCTLID-UTUOFQBUSA-N	238.375	3.053	70	20	BGID	
C[C@H](CO)SCc1ccc(F)cc1Cl	160709301	UBVIQKXKZKBEPL-SSDOTTSWSA-N	234.723	3.093	70	20	BGID	
C[C@H]1CCC[C@@H](CNC(=N)Nc2ccccc2)C1	217998807	ZKSHSXUTIDGRLQ-QWHCGFSZSA-N	245.370	3.449	70	20	BGID	
CCN(Cc1ccccn1)c1ccc(F)c(F)c1	159449971	VATWRWGKQYLTFG-UHFFFAOYSA-N	248.276	3.386	70	20	BGID	
Cc1ccc(NC(=O)N2CCC[C@@H](C)CC2)cn1	161463384	ZQEOERPYYVUHDJ-LLVKDONJSA-N	247.342	3.044	70	20	BGID	
C1=C(CN[C@H]2CCCc3sccc32)COCC1	160989867	XKORRADLZCWEHD-ZDUSSCGKSA-N	249.379	3.062	70	20	BGID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CC1CC1	161228336	DFGIEUIGBOKCPZ-OLZOCXBDSA-N	223.360	3.214	70	20	BGID	
CC(C)CCCN[C@@H](C)c1cscn1	161148032	PHWCMRNGZIEQNJ-JTQLQIEISA-N	212.362	3.230	70	20	BGID	
CCOc1ccccc1N(C)CCC(F)(F)F	159420177	WRTICVDGGZLODV-UHFFFAOYSA-N	247.260	3.474	70	20	BGID	
CCN(C(=O)[C@@H]1C[C@]1(C)CC)c1ccccc1	159857783	DEHARMIRDYRJOP-ZFWWWQNUSA-N	231.339	3.476	70	20	BGID	
CCCn1nccc1CNc1cccc(F)c1C	160122239	SOVISYQFXFJCPD-UHFFFAOYSA-N	247.317	3.353	70	20	BGID	
COc1cc(NCc2ccc(C)o2)ccc1F	160136965	KTQACBHPFBHCOO-UHFFFAOYSA-N	235.258	3.348	70	20	BGID	
CC[C@@H]1CCCN(C(=O)c2cccc(C)c2F)C1	161459429	DWEUJNNGFZISMQ-GFCCVEGCSA-N	249.329	3.396	70	20	BGID	
COc1cccnc1N[C@H]1CCC[C@H](C)C1	159455538	QOIJXCIXUNLDEU-QWRGUYRKSA-N	220.316	3.081	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)NCc1ccc(F)c(C)c1	160398205	JYKAGURRHHJVCB-DOMZBBRYSA-N	249.329	3.187	70	20	BGID	
CCCCCC(=O)N1CCc2c(F)cccc2C1	160805583	MCMRYQPMGOSSDN-UHFFFAOYSA-N	249.329	3.291	70	20	BGID	
CCC[C@H](c1ccccc1)S(=O)(=O)Cl	88251492	BAJGFIAGJGXYIK-SNVBAGLBSA-N	232.732	3.096	70	20	BGID	
CC(C)[C@@H](C)N(C)Cc1cc(O)cc(F)c1	159820103	JEEKOJCWQVEOQS-SNVBAGLBSA-N	225.307	3.008	70	20	BGID	
Cc1ccc(C(=O)CCN2[C@@H](C)CC[C@H]2C)cc1	160147773	ZPWRJJCUVRSSLL-OKILXGFUSA-N	245.366	3.441	70	20	BGID	
C[C@@H]1CCC[C@@H](CNC(=O)N2CCCCC2)C1	218048237	HBPRCGRFDNCTBM-CHWSQXEVSA-N	238.375	3.008	70	20	BGID	
O=C(COc1ccc(Cl)cc1)c1ccoc1	159957425	CERQTUWLGFQOMO-UHFFFAOYSA-N	236.654	3.195	70	20	BGID	
Cc1cc(C(=O)NCC2(C3CC3)CC2)ccc1F	160232529	PSRJHUDORCENKH-UHFFFAOYSA-N	247.313	3.054	70	20	BGID	
CC(C)(O)CCNc1c(F)cccc1Cl	160381384	NCLKJPKJOVJONE-UHFFFAOYSA-N	231.698	3.052	70	20	BGID	
C1CCC2(C1)CCC(NCC1CC1)CC2	161359956	WNIOPLITWLAOMH-UHFFFAOYSA-N	207.361	3.489	70	20	BGID	
CN(C)C(=O)c1ccccc1OC1CCCCC1	159819395	WKPRKQSNCJIMKR-UHFFFAOYSA-N	247.338	3.100	70	20	BGID	
CCCc1csc(N2CCC(C)CC2)n1	160642661	MXJNCJAPUBHGOM-UHFFFAOYSA-N	224.373	3.332	70	20	BGID	
CC[C@@H](SC)c1nc(Cc2ccccc2)no1	161247537	FMYWMLSYNDWBLY-LLVKDONJSA-N	248.351	3.475	70	20	BGID	
C[C@@H](N[C@@H]1CCC[C@H](N(C)C)C1)c1ccccc1	161032067	JLOMSGGBYSSRLP-BMFZPTHFSA-N	246.398	3.210	70	20	BGID	
CCc1ncnc(N[C@@H]2CCCC2(C)C)c1F	218059809	DMXRFHUQQGBBIB-SNVBAGLBSA-N	237.322	3.169	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(Cl)cn1	159879554	UAPGOJZRSIPYBB-SKDRFNHKSA-N	238.718	3.110	70	20	BGID	
O=C(Nc1cccc2[nH]ccc12)NC1CC=CC1	159397683	RQYMTEDVLYBORZ-UHFFFAOYSA-N	241.294	3.008	70	20	BGID	
CCOc1cccc(NC(=O)[C@@H]2CC2(C)C)c1	159684734	HIDCUXMRXRRZQZ-LBPRGKRZSA-N	233.311	3.070	70	20	BGID	
CCCc1nsc(N[C@@H](CC)CSC)n1	217384186	QKDVBIWNCOYWFY-QMMMGPOBSA-N	245.417	3.044	70	20	BGID	
C[C@@H]1CC=CC[C@@H]1COC(=O)[C@@H]1CC=CCC1	218547134	FAHZCLUYZQBIHV-MGPQQGTHSA-N	234.339	3.488	70	20	BGID	
CCC1CCN(C(=O)Nc2ccc(C)nc2)CC1	161386497	UDSDCNWERDXWHU-UHFFFAOYSA-N	247.342	3.044	70	20	BGID	
CCC[C@@H]1CCCN(C(=O)NC2CCCC2)C1	161431088	YYGFNPJBRHANMY-GFCCVEGCSA-N	238.375	3.151	70	20	BGID	
CO[C@H](CN[C@H]1CCC[C@@H](C)C1)C(C)(C)C	217701294	ZHLOMFSZLZACBH-FRRDWIJNSA-N	227.392	3.216	70	20	BGID	
C[C@@H]1CC=CC[C@H]1COC(=O)[C@@H]1CC=CCC1	218547283	FAHZCLUYZQBIHV-MCIONIFRSA-N	234.339	3.488	70	20	BGID	
Cc1ccc(CNC2(C)CCC2)cc1C	160009411	FCLGGJRITKUHMU-UHFFFAOYSA-N	203.329	3.336	70	20	BGID	
CCC[C@H](C(=O)NCCc1ccccc1)C(C)C	160629389	MNGRFVXXKVXPNZ-HNNXBMFYSA-N	247.382	3.418	70	20	BGID	
CCc1ncnc(N[C@H]2CCC[C@H](C)C2)c1F	217968673	RUGQTMVLDJPLSH-UWVGGRQHSA-N	237.322	3.169	70	20	BGID	
C[C@@H]1CCC[C@@H](C)N1Cc1cnc2ccccn12	159774534	IYXAPKSNFVGFCR-CHWSQXEVSA-N	243.354	3.097	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)N(C)Cc1cccc(F)c1	159477182	OEKQPRFOHUOFAV-HIFRSBDPSA-N	249.329	3.220	70	20	BGID	
CC(C)[C@@H](C)NC[C@@H]1CCc2ccccc21	160966986	KFGRUCYDKGIEAA-OCCSQVGLSA-N	217.356	3.351	70	20	BGID	
CSCCN(C)C(=O)C1CCC(C)(C)CC1	161131337	QOHXCDCCRODPIL-UHFFFAOYSA-N	243.416	3.024	70	20	BGID	
CC(C)c1cccc(NC(=O)C(F)F)c1	217640022	MPZPEIUCNGPFDW-UHFFFAOYSA-N	213.227	3.014	70	20	BGID	
CC(C)=CCOC(=O)c1cc(F)ccc1C	217407973	CKLZOGUNBRQDEB-UHFFFAOYSA-N	222.259	3.257	70	20	BGID	
C[C@H]1CCC[C@H](CNc2cncc(Cl)n2)C1	217928334	ZETQGFSOVGHEIO-UWVGGRQHSA-N	239.750	3.368	70	20	BGID	
CC(C)C[C@H](c1ccccc1)S(=O)(=O)Cl	88251142	OVPXXIXCFBOWLL-LLVKDONJSA-N	246.759	3.342	70	20	BGID	
CC[C@@H](NCc1ccc(C)s1)c1cnn(C)c1	160904631	PQHZRHGSBBGSSD-CYBMUJFWSA-N	249.383	3.031	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)NCc1cccc(C)c1	160934698	UXIKGMVZCTZBCJ-UKRRQHHQSA-N	231.339	3.047	70	20	BGID	
CCCC(=O)O[C@H](c1ccccn1)C(F)(F)F	159855183	YYVJPWCLROOREO-SNVBAGLBSA-N	247.216	3.028	70	20	BGID	
Cc1nc(NC(=O)CC(C)(C)C)cc(C2CC2)n1	159907859	YTYIIRWSUMCRLL-UHFFFAOYSA-N	247.342	3.037	70	20	BGID	
CC(C)CSCCCNC(=O)CCC1CC1	160709596	GCEUAGJAIDBYKY-UHFFFAOYSA-N	243.416	3.072	70	20	BGID	
CCC[C@@H](C)NC(=O)c1cccc(C)c1F	161395514	UMTAVFYHWFNYJA-SNVBAGLBSA-N	223.291	3.053	70	20	BGID	
CC(C)C(C)(C)CNC(=O)NCc1ccccc1	218703329	DFMPTYRQWBTITM-UHFFFAOYSA-N	248.370	3.168	70	20	BGID	
CCCC1(CNC(=O)CCCCSC)CC1	160599322	QOHYSWLTMUSXQV-UHFFFAOYSA-N	243.416	3.216	70	20	BGID	
CC(C)[C@@H](C)NC[C@@H](C)COCc1ccccc1	161297855	CPKFRRLAVOFKGC-HUUCEWRRSA-N	249.398	3.473	70	20	BGID	
CC[C@@H](C)c1ccc(OCc2nnc(C)o2)cc1	217401628	PQEKYOVBPPPTHT-SNVBAGLBSA-N	246.310	3.471	70	20	BGID	
CO[C@@H]1CCCC[C@H]1NC[C@@H]1CCCC[C@@H]1C	218425103	NBOJWLZKXIQIBH-BYNSBNAKSA-N	239.403	3.360	70	20	BGID	
CC[C@H](Nc1cc(C)n(C)n1)c1ccc(F)cc1	159679993	HNQIIUSJCRBSTK-ZDUSSCGKSA-N	247.317	3.431	70	20	BGID	
C/C=C/CSCc1ccc(C(=O)OC)s1	159776226	FFOVUSCHQONCCM-ONEGZZNKSA-N	242.365	3.344	70	20	BGID	
CCC(CC)CN[C@@H](C)c1cscn1	161191909	POKCGHUEEUIQSB-VIFPVBQESA-N	212.362	3.230	70	20	BGID	
CCCCCNC(=O)[C@@H](CCC)C(C)C	160471144	SIRQHWOVQQYQLD-LBPRGKRZSA-N	213.365	3.365	70	20	BGID	
CCC(CC)C(=O)N1CCc2c(F)cccc2C1	160977539	FKRIQFPVKUCYKA-UHFFFAOYSA-N	249.329	3.147	70	20	BGID	
Cc1ccc(C)c(SCc2ccnn2C)c1	161244911	VYTHOBLUJJZWRN-UHFFFAOYSA-N	232.352	3.329	70	20	BGID	
CCN(Cc1csc(C2CC2)n1)C1CC1	161396173	NZCLDRMCSUBIBE-UHFFFAOYSA-N	222.357	3.005	70	20	BGID	
CCNC(=S)N(CCC(C)C)CCC(C)C	217759666	IOPMUBKAZRHWGP-UHFFFAOYSA-N	244.448	3.275	70	20	BGID	
O=S(=O)(Cl)[C@H]1CCCCc2ccccc21	88251349	KPLQLPFKBXYHMK-NSHDSACASA-N	244.743	3.023	70	20	BGID	
Cc1nc2ccccn2c1CN1CCCC1(C)C	159717446	KERQZOPVGJLOQH-UHFFFAOYSA-N	243.354	3.017	70	20	BGID	
C[C@@H](CO)SCc1ccc(F)cc1Cl	160709165	UBVIQKXKZKBEPL-ZETCQYMHSA-N	234.723	3.093	70	20	BGID	
CCC1CCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1	161224680	DGAOPIHJWCPAIX-GXTWGEPZSA-N	237.387	3.461	70	20	BGID	
C[C@H](NC(=O)c1ccco1)C1CCCCCC1	160670649	QBTDFGARVSSOGD-NSHDSACASA-N	235.327	3.368	70	20	BGID	
Cc1ncc(CN2CC[C@@H]3CCCC[C@@H]32)s1	159710732	WLTVWFWYGAVZSC-AAEUAGOBSA-N	236.384	3.216	70	20	BGID	
CS[C@H](C)CC(=O)NC[C@@H]1CCC[C@@H](C)C1	160938948	GMYMRMBIWAUHMG-IJLUTSLNSA-N	243.416	3.071	70	20	BGID	
c1cc([C@@H]2CCCN(CCC3CCCC3)C2)[nH]n1	159430520	FJAICAYXUZMYRP-CQSZACIVSA-N	247.386	3.169	70	20	BGID	
Cc1ccccc1[C@H](C)N(C)CCOCC1CC1	159513447	OLIJZGHFJZIEOA-AWEZNQCLSA-N	247.382	3.414	70	20	BGID	
CCOCCCN(C(C)C)C1CCCC1	160323782	BUGLSAKAUZWTGG-UHFFFAOYSA-N	213.365	3.066	70	20	BGID	
CCCC[C@H](SC1CCCC1)C(=O)OC	160690320	UFPPGKGPDHSWCU-NSHDSACASA-N	230.373	3.394	70	20	BGID	
Cc1nc(N[C@@H](C)C2CCC2)sc1C	160068707	ZAHMWFCZVCSXAZ-QMMMGPOBSA-N	210.346	3.360	70	20	BGID	
Cc1cc(NC(=O)C2CCC(C)(C)CC2)no1	160438664	WEKJTEKUKIFXEK-UHFFFAOYSA-N	236.315	3.138	70	20	BGID	
C[C@H](CO)CSC/C=C\c1ccccc1	218008623	BFTIWPZINBWBQG-VVEJJEBESA-N	222.353	3.061	70	20	BGID	
CCN(C(=O)C1=CCCC1)c1ccc(F)cc1	159695616	NNZXKHAQGHESGJ-UHFFFAOYSA-N	233.286	3.289	70	20	BGID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC(C)(C)C	160569193	LPFHKBBMXFFAAL-NXEZZACHSA-N	237.368	3.075	70	20	BGID	
CCCC[C@H](SCC(C)C)C(=O)OC	160690544	CIGRDPCIARTTQW-JTQLQIEISA-N	218.362	3.107	70	20	BGID	
CCC[C@@H](C(=O)N1CCCC[C@H]1C)C(C)C	161146812	LEVPSEHBPWJBAP-CHWSQXEVSA-N	225.376	3.460	70	20	BGID	
C[C@H](N[C@H]1CCCC1(C)C)c1cscn1	161219983	KJKVLTOFLQMDKB-ONGXEEELSA-N	224.373	3.372	70	20	BGID	
CCC(CC)CNC(=O)N(CC)[C@H](C)C(C)C	160601345	IQFYFKRZXYFIDC-GFCCVEGCSA-N	242.407	3.499	70	20	BGID	
Fc1ccc(CN2[C@H]3CCC[C@H]2CC3)cc1	216872594	LJIYAIFWIXHGAV-KBPBESRZSA-N	219.303	3.343	70	20	BGID	
Cc1cc(F)cc(N[C@@H](C)CCn2cccn2)c1	159404448	LNNBPMDBSVQAGT-LBPRGKRZSA-N	247.317	3.221	70	20	BGID	
CC(C)COCCN[C@H](C)[C@H](C)c1ccccc1	160673322	APLZJPGGPDZWJU-LSDHHAIUSA-N	249.398	3.441	70	20	BGID	
CCCC[C@@H](SC1CCCC1)C(=O)OC	160690419	UFPPGKGPDHSWCU-LLVKDONJSA-N	230.373	3.394	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)N(CC(C)C)C1CC1	161004460	MGXMOLFXYPDZEU-TZMCWYRMSA-N	223.360	3.070	70	20	BGID	
CC(C)c1cnc(N2CCCCC2)s1	159472661	MBZFXKTTXFZPCF-UHFFFAOYSA-N	210.346	3.257	70	20	BGID	
Cc1cc(NC[C@@H]2CCC[C@H](C)C2)nc(C)n1	217929668	YOLLUOVGWHVRCR-GXFFZTMASA-N	233.359	3.332	70	20	BGID	
Cc1ccc(C)c(SCc2nnc(C)n2C)c1	160975625	VCHXPOHPOHYTNN-UHFFFAOYSA-N	247.367	3.033	70	20	BGID	
Cc1cc(C(=O)N2CCC(C)CC2)cc(C)c1F	160564649	XAAUARFZIXNOAQ-UHFFFAOYSA-N	249.329	3.315	70	20	BGID	
Cc1nc(SCc2nccs2)oc1C	161248625	GAFFJGXKIPWFIO-UHFFFAOYSA-N	226.326	3.040	70	20	BGID	
Cc1n[nH]cc1CN(C)Cc1ccccc1Cl	160825709	NNXIGVCBHPEGDY-UHFFFAOYSA-N	249.745	3.004	70	20	BGID	
O=C(NCC1(C2CC2)CC1)c1ccccc1Cl	159774094	XPJRIZJFXVPRIA-UHFFFAOYSA-N	249.741	3.260	70	20	BGID	
CCSCC[C@H](C)N[C@H](C)c1cscn1	161216637	QNTPHSCEGIIMPT-VHSXEESVSA-N	244.429	3.325	70	20	BGID	
CC(C)C1CCC(CS(=O)(=O)Cl)CC1	307537467	OQRSEZDFVSAUJO-UHFFFAOYSA-N	238.780	3.017	70	20	BGID	
CCN(Cc1ccc2c(c1)OCO2)C1CCCC1	159592243	ISXHEGADRKQYIL-UHFFFAOYSA-N	247.338	3.180	70	20	BGID	
CCN(C)c1cccc(OC(F)(F)F)c1	218001313	SMAIQEQNRMLBFT-UHFFFAOYSA-N	219.206	3.041	70	20	BGID	
CN(Cc1ccc(F)cc1)c1cccc(O)c1	218368339	SKUJNSCPXNTCTI-UHFFFAOYSA-N	231.270	3.168	70	20	BGID	
Cn1ccc(-c2nc3cccc(Cl)c3[nH]2)c1	160272654	OOXRYUXGFGRSQJ-UHFFFAOYSA-N	231.686	3.222	70	20	BGID	
CCC(C)(C)C(=O)NCCCSCC(C)C	160753600	SSMOYKIOBGZIQM-UHFFFAOYSA-N	245.432	3.318	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@@H](C)c1ccco1	161439605	PIELVYLWZIDWEF-MISXGVKJSA-N	235.327	3.235	70	20	BGID	
CCc1ncnc(NCC(C2CC2)C2CC2)c1F	218047361	ZHZHNMSUQFCXLA-UHFFFAOYSA-N	249.333	3.026	70	20	BGID	
CC(C)[C@@H]1CCC[C@H](S(=O)(=O)Cl)CC1	114438840	LFGKEDHEHHGNGY-ZJUUUORDSA-N	238.780	3.160	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)NCc1ccccc1C	159841340	VXXZPJGOVKEDKU-HIFRSBDPSA-N	231.339	3.047	70	20	BGID	
COC(=O)c1ccc(CSCCCF)cc1	160961398	XWKCLXFOGCOAFK-UHFFFAOYSA-N	242.315	3.066	70	20	BGID	
CC[C@H](CSC)NCCCC(C)C	217330779	PYQHPKUXEXDWGL-LLVKDONJSA-N	203.395	3.154	70	20	BGID	
Cc1ccc(C(=O)NCC2(C3CC3)CC2)cc1F	160051680	IWMHSBLCSJTTPV-UHFFFAOYSA-N	247.313	3.054	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)N1[C@@H](C)CCC[C@H]1C	160885644	QWEMYEOHKVRMPM-OPDFLTKYSA-N	223.360	3.212	70	20	BGID	
CCCC[C@H](CCC)NC(=O)CO[C@H](C)CC	160940041	YNENLDUGHVFQOJ-OLZOCXBDSA-N	243.391	3.277	70	20	BGID	
CC1CCN(Cc2csc(C3CC3)n2)CC1	161268792	JFFRGFZTPYQQSJ-UHFFFAOYSA-N	236.384	3.252	70	20	BGID	
CC(C)CN1CCC=C(c2ccccc2)C1	216685376	DLGFAZYBBMONHI-UHFFFAOYSA-N	215.340	3.432	70	20	BGID	
CC[C@H]1CCC[C@H]1NC(=O)c1oc(C)cc1C	159711725	WUJJICYUCXDTQW-NWDGAFQWSA-N	235.327	3.205	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(F)cc(F)c1	160280473	OZTLYDZTDJMRLA-YPMHNXCESA-N	239.265	3.340	70	20	BGID	
C[C@H]1CCC[C@H](C)N1CCCN1CCCCC1	161352874	QQOPJHHOYHFZTK-GJZGRUSLSA-N	238.419	3.125	70	20	BGID	
CCC1CCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1	161225019	DGAOPIHJWCPAIX-OCCSQVGLSA-N	237.387	3.461	70	20	BGID	
CC(=O)c1ccnc(N2CC[C@H](C(C)(C)C)C2)c1	160279183	LYLLHQZNWWUQDR-ZDUSSCGKSA-N	246.354	3.157	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(Cl)cn1	159879417	UAPGOJZRSIPYBB-BXKDBHETSA-N	238.718	3.110	70	20	BGID	
CC(C)(C)[C@H]1CCCC[C@H]1S(=O)(=O)Cl	88251637	FKERCIRIVNMVFY-DTWKUNHWSA-N	238.780	3.160	70	20	BGID	
C[C@H]1CCC[C@H](C)N1Cc1cnc2ccccn12	159774410	IYXAPKSNFVGFCR-STQMWFEESA-N	243.354	3.097	70	20	BGID	
Cc1cc(NC(=O)[C@H](C)c2ccsc2)ccn1	159926516	QEFASUHKCGTUQP-SNVBAGLBSA-N	246.335	3.194	70	20	BGID	
Cc1ccc(CN[C@H](C)c2cscn2)s1	161156736	JYOIWPBYPMZROH-SECBINFHSA-N	238.381	3.364	70	20	BGID	
C[C@@H](NC[C@H]1CC=CCC1)c1cscn1	161173895	DDQCJEXQYQOIFT-MNOVXSKESA-N	222.357	3.150	70	20	BGID	
CC(C)=CCOC(=O)C(C)(C)c1ccccc1	217394658	FHALPPWLLAPKLT-UHFFFAOYSA-N	232.323	3.474	70	20	BGID	
O=C(CC1CCCCC1)OC1CCCC1	218475422	WXOHPGWMXLICEU-UHFFFAOYSA-N	210.317	3.443	70	20	BGID	
CS[C@H](C)CC(=O)Nc1c(F)cccc1F	160643537	SFELHPQCEXLSHD-SSDOTTSWSA-N	245.294	3.045	70	20	BGID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccncc1	161013729	RDZHQXJBJLFTMF-TZMCWYRMSA-N	246.354	3.122	70	20	BGID	
C[C@H](CCO)SC/C=C\c1ccccc1	217942208	LSCFFIXTMZUSNK-VVEJJEBESA-N	222.353	3.204	70	20	BGID	
O=C(NCC1(C2CC2)CC1)c1cccc(Cl)c1	159811139	LAJHUEXTDAIVNZ-UHFFFAOYSA-N	249.741	3.260	70	20	BGID	
Cc1n[nH]c(C)c1NC(=O)C1CCC(C)(C)CC1	159960126	IRKAVVZWYQWEKT-UHFFFAOYSA-N	249.358	3.181	70	20	BGID	
Cc1cccc(CCC(=O)OC2CCCC2)c1	218476306	BVCSTMFKVWENTK-UHFFFAOYSA-N	232.323	3.413	70	20	BGID	
CCOc1ccccc1N(C)C[C@@H]1CCCCO1	159408909	VYFZPXZSMVDGSI-ZDUSSCGKSA-N	249.354	3.091	70	20	BGID	
C[C@@H](Nc1nccc(C(F)(F)F)n1)C1CCC1	159982700	YYLIOYZXTBFLIH-SSDOTTSWSA-N	245.248	3.096	70	20	BGID	
C[C@H](Nc1c(F)c(F)nc(F)c1F)C1CCC1	159994447	NQVVNOCRPLIARP-YFKPBYRVSA-N	248.223	3.239	70	20	BGID	
C[C@@H]1CCC[C@@H](CNC(=N)Nc2ccccc2)C1	217998740	ZKSHSXUTIDGRLQ-CHWSQXEVSA-N	245.370	3.449	70	20	BGID	
CC[C@@H]1CCC[C@H]1NC(=O)CCCCSC	159583643	WHNRCLLXZLRUBY-VXGBXAGGSA-N	243.416	3.215	70	20	BGID	
C[C@@H](CN(C)CCOCC1CC1)c1ccccc1	160383338	FFPDPDMPGXZCKP-AWEZNQCLSA-N	247.382	3.149	70	20	BGID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccccn1	160937357	LDGDMNVPXPAZBL-TZMCWYRMSA-N	246.354	3.122	70	20	BGID	
CN(CC1CCC1)C(=O)C1CCC(C)(C)CC1	160276664	IVZKQJYQEZRJEX-UHFFFAOYSA-N	237.387	3.461	70	20	BGID	
CCc1ncsc1NC(=O)C(C)(CC)CC	159500587	UDZIGSXQHHQOOJ-UHFFFAOYSA-N	240.372	3.470	70	20	BGID	
CCN(C(=O)[C@@H]1C[C@@]1(C)CC)c1ccccc1	159857641	DEHARMIRDYRJOP-DZGCQCFKSA-N	231.339	3.476	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)N(C)C1CCC(C)CC1	159998976	FCMOCXZSYXPZBY-SJQFEJMWSA-N	237.387	3.460	70	20	BGID	
CC[C@H](C)OCC(=O)N(C)c1cc(C)ccc1C	159913069	DMXFCKVYBVKWKC-ZDUSSCGKSA-N	249.354	3.081	70	20	BGID	
CCCCN[C@@H](CC)c1ccc(F)cn1	161307480	WXGNMTZRHSYKDI-NSHDSACASA-N	210.296	3.062	70	20	BGID	
CCCC[C@@H](CCC)NC(=O)CO[C@H](C)CC	160939911	YNENLDUGHVFQOJ-CHWSQXEVSA-N	243.391	3.277	70	20	BGID	
CC[C@H]1CCC[C@@H](NC(=O)NC2(C)CCC2)C1	161464045	MSLDTWODPZDTNM-NWDGAFQWSA-N	238.375	3.197	70	20	BGID	
CC(C)(C)N1CC[C@H](NCC2CCCCC2)C1	218429060	SUZOQHCDEMQOTO-AWEZNQCLSA-N	238.419	3.029	70	20	BGID	
CC1(C)C[C@@H]1C(=O)N[C@@H]1CCCc2sccc21	160009015	YABVXOJKMSVBBC-GHMZBOCLSA-N	249.379	3.288	70	20	BGID	
C[C@H]1CC[C@@H](CC(=O)NCC2(C3CC3)CC2)C1	160092206	RWLNFTKOBIPOEG-NWDGAFQWSA-N	235.371	3.119	70	20	BGID	
CC(=O)c1ccnc(N2CC[C@@H](C(C)(C)C)C2)c1	160279325	LYLLHQZNWWUQDR-CYBMUJFWSA-N	246.354	3.157	70	20	BGID	
C[C@H](NC[C@@]1(C)CCCS1)c1cscn1	161225193	FANIQWNHZARUAJ-GXSJLCMTSA-N	242.413	3.079	70	20	BGID	
Cc1cccc(C(=O)N(CC2CC2)C(C)C)c1F	161452735	VGMSODHNLKBYLQ-UHFFFAOYSA-N	249.329	3.395	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(Cl)cn1	159879680	UAPGOJZRSIPYBB-JOYOIKCWSA-N	238.718	3.110	70	20	BGID	
CCCn1nccc1CNc1cc(C)ccc1F	159993476	XKBUWHFQFLJNLL-UHFFFAOYSA-N	247.317	3.353	70	20	BGID	
CCCCN[C@H](C)Cc1ccccc1F	160894660	KORDUXTXGZZAFE-LLVKDONJSA-N	209.308	3.146	70	20	BGID	
C[C@@H](NCCC(C)(C)C)c1cscn1	161168996	QIBQHIIAVKRVRT-SECBINFHSA-N	212.362	3.230	70	20	BGID	
CCCCN[C@H](CC)c1ccc(F)cn1	161307608	WXGNMTZRHSYKDI-LLVKDONJSA-N	210.296	3.062	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)N(C)C1CCC(C)CC1	159999107	FCMOCXZSYXPZBY-NSOJWWLLSA-N	237.387	3.460	70	20	BGID	
C[C@H]1CCN(Cc2ccnc(Cl)c2)C[C@@H]1C	160979177	TYNUEKAJGUJXAI-QWRGUYRKSA-N	238.762	3.213	70	20	BGID	
CC[C@H](C)OCC(=O)N(C)c1ccc(C)cc1C	159855371	GQCGQIHPMWLGJY-ZDUSSCGKSA-N	249.354	3.081	70	20	BGID	
C[C@H](O)CN(C)[C@@H](C)c1ccc2ccccc2c1	159535037	SQDHKFDMQIUDHM-STQMWFEESA-N	243.350	3.213	70	20	BGID	
Cc1cc(CNc2ncccn2)ccc1Cl	159559956	XDMUYJQYLLYVHZ-UHFFFAOYSA-N	233.702	3.051	70	20	BGID	
Cc1ccc(C(=O)N[C@H](C)C2CCC2)c(F)c1	160198222	RJTMUIADTGVTTK-SNVBAGLBSA-N	235.302	3.053	70	20	BGID	
CN(Cc1ccc2ccccc2c1)C(=O)C(F)F	217864300	NSHLFIVQDMRYEN-UHFFFAOYSA-N	249.260	3.063	70	20	BGID	
CCCC[C@@H](NCCC(C)(C)O)C1CCC1	159675953	NEOPKVJYJVURTP-CYBMUJFWSA-N	227.392	3.096	70	20	BGID	
Cc1nccn1CCCCN(C)CC1CCCC1	161504640	OQGPVJQFQSHEDH-UHFFFAOYSA-N	249.402	3.094	70	20	BGID	
Fc1cccc(OCc2nccs2)c1F	161316092	QMWBUXRKZOSPIA-UHFFFAOYSA-N	227.235	3.000	70	20	BGID	
CC[C@@H](C)CNc1ncccc1OC(C)C	159450596	AZPKTYZFVBAMSS-LLVKDONJSA-N	222.332	3.327	70	20	BGID	
Cc1ccc(NC(=O)N[C@@H](C)CCC(C)C)cn1	161300516	VAIYXXRJYDZQKD-LBPRGKRZSA-N	249.358	3.336	70	20	BGID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1oc(C)cc1C	159711360	WUJJICYUCXDTQW-NEPJUHHUSA-N	235.327	3.205	70	20	BGID	
CCCN(CC1CC1)C(=O)[C@H]1C[C@]1(C)CC	160829802	WFIPWXODXJRGAR-OCCSQVGLSA-N	223.360	3.071	70	20	BGID	
COCC[C@H](C)Oc1ccc(Cl)c(F)c1	161028098	OLNCKNRKEDWAME-QMMMGPOBSA-N	232.682	3.283	70	20	BGID	
C[C@@H](C(=O)N[C@@H]1CCCc2sccc21)C1CC1	160196980	MTCIFMROIVMLCZ-BXKDBHETSA-N	249.379	3.288	70	20	BGID	
CC[C@H]1CCCN(C(=O)c2cccc(C)c2F)C1	161459530	DWEUJNNGFZISMQ-LBPRGKRZSA-N	249.329	3.396	70	20	BGID	
CCCn1nccc1CNc1cc(F)ccc1C	159969437	ZQZGQUVYGUCVOH-UHFFFAOYSA-N	247.317	3.353	70	20	BGID	
CCSCCN(C)Cc1ccc(C)s1	160433952	KOGFBICKALDBBC-UHFFFAOYSA-N	229.414	3.241	70	20	BGID	
COc1cccnc1N[C@H](C)C1CCCC1	159466526	ZTPVVKZNRYVWGX-SNVBAGLBSA-N	220.316	3.081	70	20	BGID	
C/C=C(/C)C(=O)N[C@@H]1CCCc2sccc21	160124567	VLGBUPFGBVVQBW-IMAIQDNJSA-N	235.352	3.208	70	20	BGID	
CC(C)N(C)C(=O)C1(Cc2ccccc2)CCC1	160821855	ZPGWCTPWNMKCGM-UHFFFAOYSA-N	245.366	3.266	70	20	BGID	
CC(C)[C@H](C)CC(=O)N1[C@H](C)CC[C@H]1C	161490555	ZHROGFSXTVYPJZ-IJLUTSLNSA-N	211.349	3.068	70	20	BGID	
CS[C@@H](C)CC(=O)NCC1CCC(C)CC1	160941976	LCHIXOJZMVTSSP-CXQJBGSLSA-N	243.416	3.071	70	20	BGID	
COc1cc(C)ccc1OCc1nccs1	161154580	UPCYZXGPGSOPBX-UHFFFAOYSA-N	235.308	3.039	70	20	BGID	
CC1(C)CC(S(=O)(=O)Cl)CC(C)(C)C1	157280972	BMIVIGXDYSHVHX-UHFFFAOYSA-N	238.780	3.160	70	20	BGID	
COc1cccnc1N[C@@H](C)C1CCCC1	159466395	ZTPVVKZNRYVWGX-JTQLQIEISA-N	220.316	3.081	70	20	BGID	
Cc1cc(CNC2(C)CCC2)ccc1F	160011843	FGOBEEPPGOQVAT-UHFFFAOYSA-N	207.292	3.166	70	20	BGID	
CCN(CC)C(=O)N1CCC(CC)(CC)CC1	160551590	DSOXTFHDBQKDEU-UHFFFAOYSA-N	240.391	3.350	70	20	BGID	
CCCCN(C)C(=O)Nc1cccc(F)c1	217310653	DEPWISZJPFNFCH-UHFFFAOYSA-N	224.279	3.090	70	20	BGID	
CCOc1ccccc1N(C)C[C@H]1CCCCO1	159409071	VYFZPXZSMVDGSI-CYBMUJFWSA-N	249.354	3.091	70	20	BGID	
C[C@@H]1Cc2ccccc2[C@@H]1N[C@@H]1CCCSC1	159564594	QIBGQKCZYIRPLX-UXIGCNINSA-N	247.407	3.405	70	20	BGID	
CCCC[C@@H](C)N[C@H](CCO)c1ccccc1	161030194	PEXHQGARZIHMFA-UKRRQHHQSA-N	235.371	3.278	70	20	BGID	
C[C@@H]1CCC[C@H](CNC(=O)N2CCCCC2)C1	218048405	HBPRCGRFDNCTBM-OLZOCXBDSA-N	238.375	3.008	70	20	BGID	
CC(C)(C)c1nsc(N[C@@H]2C=CCCC2)n1	159949747	DHCQNUBOUPDKFF-SECBINFHSA-N	237.372	3.356	70	20	BGID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CC(C)C	161273168	JUTDWZPMMOILRG-OLZOCXBDSA-N	225.376	3.460	70	20	BGID	
CCCC[C@H](CC)C(=O)NC1CC=CC1	160845834	PEZGRPOEPZYSEW-NSHDSACASA-N	209.333	3.038	70	20	BGID	
C[C@H](NC[C@]1(C)CCCS1)c1cscn1	161224955	FANIQWNHZARUAJ-ONGXEEELSA-N	242.413	3.079	70	20	BGID	
CC1(Nc2ncnc3ccsc23)CCC1	159972960	AMVHBSFWDLOJBT-UHFFFAOYSA-N	219.313	3.046	70	20	BGID	
CCc1ncnc(NCC2(C)CCCC2)c1F	218011558	IVLMMYZUWXNCOE-UHFFFAOYSA-N	237.322	3.170	70	20	BGID	
CC(C)CCC[C@@H](NCCO)c1ccccc1	159716356	AJMALNYIZISHHT-OAHLLOKOSA-N	235.371	3.136	70	20	BGID	
Cc1ccc(CNC2(C)CCC2)c(C)c1	160003817	KHYSVVNMHQQUEX-UHFFFAOYSA-N	203.329	3.336	70	20	BGID	
C[C@@H](NC(=O)C(F)(F)F)C1CCCCCC1	160674186	PBHMVDKNDJQSIB-MRVPVSSYSA-N	237.265	3.024	70	20	BGID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)C1CC=CC1	161218092	JMFGDLQBRWYGMO-TZMCWYRMSA-N	235.371	3.380	70	20	BGID	
CC(C)SCCC(=O)N(C)c1ccccc1	160119538	CBAFMEQTOBGTRE-UHFFFAOYSA-N	237.368	3.181	70	20	BGID	
Cc1cccc(OCc2nccs2)c1C	161142509	SRZYNONXVSROFX-UHFFFAOYSA-N	219.309	3.339	70	20	BGID	
CCC[C@@H]1CCC[C@@H](S(=O)(=O)Cl)CC1	114438856	DBHBDHKVQRMWCX-NXEZZACHSA-N	238.780	3.304	70	20	BGID	
C[C@H](NC[C@@H]1CC=CCC1)c1cscn1	161174005	DDQCJEXQYQOIFT-WDEREUQCSA-N	222.357	3.150	70	20	BGID	
CON(C)Cc1ccc(-c2ccccc2)cc1	217698853	APWQRPXMELAQKE-UHFFFAOYSA-N	227.307	3.347	70	20	BGID	
CSC[C@@H](C)NCc1ccc(F)c(Cl)c1	160151987	WMENYWHHBZGJFU-MRVPVSSYSA-N	247.766	3.320	70	20	BGID	
CC[C@H](C)NC[C@H]1CCc2ccccc21	160986853	ZJPUKJZNJNCZEF-WCQYABFASA-N	203.329	3.105	70	20	BGID	
c1cnn([C@H]2CCCN(CCC3CCCC3)C2)c1	160252027	STNOBKBSOKFJRT-HNNXBMFYSA-N	247.386	3.100	70	20	BGID	
F[B-](F)(F)c1ccc(-c2ccccc2)cc1	203317786	MZLWOFAFCLRBCI-UHFFFAOYSA-N	221.010	3.408	70	20	BGID	
CCC(CC)CNC(=O)C[C@@H](C)c1ccncc1	160451235	HLHCFGJEOLBAGT-GFCCVEGCSA-N	248.370	3.128	70	20	BGID	
FC(F)Sc1ccc(CNC2CC2)cc1	161246750	OXKGUUIFEADKLJ-UHFFFAOYSA-N	229.295	3.253	70	20	BGID	
CCc1ccc(NC(=O)Nc2nocc2C)cc1	159614914	BJSAGDCBSBXRIY-UHFFFAOYSA-N	245.282	3.189	70	20	BGID	
C[C@H]1CCC[C@@H](C)N1Cc1cnc2ccccn12	159774347	IYXAPKSNFVGFCR-BETUJISGSA-N	243.354	3.097	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)N(C1CCCC1)C1CC1	160994611	WXNBZKUNFAMCPE-HIFRSBDPSA-N	235.371	3.356	70	20	BGID	
CC(C)C[C@H]1CCC[C@@H](S(=O)(=O)Cl)C1	230791362	QPOQVAQAQFDYPU-NXEZZACHSA-N	238.780	3.160	70	20	BGID	
COc1cccnc1N[C@@H]1CCCC[C@H]1C	159465600	GHYRKVIHRVMDSW-GHMZBOCLSA-N	220.316	3.081	70	20	BGID	
O=C(N[C@@H]1CCCc2sccc21)C1CC=CC1	159942920	UIDCCRITQJZTEQ-GFCCVEGCSA-N	247.363	3.208	70	20	BGID	
CCSCCN(C)c1cccc(C)c1	160324986	AIKDWKUEZFJJLO-UHFFFAOYSA-N	209.358	3.184	70	20	BGID	
CC1(C)[C@@H]2C[C@@H]1CC=C2COC(=O)c1ccco1	218492364	SHKWUWZOIZNURP-NWDGAFQWSA-N	246.306	3.429	70	20	BGID	
CC[C@@H](NCc1ccccc1)c1ccc(F)cn1	161306103	NYQFWAWXJJKJDP-CQSZACIVSA-N	244.313	3.462	70	20	BGID	
CC(C)[C@H](C)N(C)Cc1cc(O)cc(F)c1	159820238	JEEKOJCWQVEOQS-JTQLQIEISA-N	225.307	3.008	70	20	BGID	
CC(C)[C@H](C)NC[C@@H](C)N(C)Cc1ccccc1	160860433	OWTLGCDBEMSAOF-CABCVRRESA-N	248.414	3.141	70	20	BGID	
CCO[C@H](C)c1nccn1CC1CCCC1	161508325	OETLAEMLNWNRAD-LLVKDONJSA-N	222.332	3.171	70	20	BGID	
C[C@H]1C[C@H]1c1ccc(CN[C@H](C)C2CC2)o1	217636305	AHUFOPICRCOIHP-OPQQBVKSSA-N	219.328	3.291	70	20	BGID	
C[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1	217739421	YPDWQWQBDAGNIT-WCQYABFASA-N	217.312	3.451	70	20	BGID	
CCc1cccc(C)c1NC(=O)CO[C@H](C)CC	160066566	HIBKWMWQZAOTJD-GFCCVEGCSA-N	249.354	3.311	70	20	BGID	
CCC1(CC)CCN(C(=O)NC2CCC2)CC1	160553156	WUZFKOKMHAISFP-UHFFFAOYSA-N	238.375	3.151	70	20	BGID	
C[C@H](NCCc1cccs1)c1cscn1	161138103	RYQOVZDXRQSIQH-VIFPVBQESA-N	238.381	3.098	70	20	BGID	
CC1(C)C[C@@H](Nc2nc3ccccc3o2)CCO1	160583096	ZTFYRBJQIJPKQU-JTQLQIEISA-N	246.310	3.197	70	20	BGID	
Cn1c(NCCC2CCC2)nc2ccccc21	161089791	MSYAXRKORJQSFO-UHFFFAOYSA-N	229.327	3.175	70	20	BGID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H](C)SC	161168839	QUJOETKPRWFGGK-IJLUTSLNSA-N	243.416	3.165	70	20	BGID	
CC[C@H](C)CSCc1nc(C2CC2)no1	161497854	OVYLKXGBNHTNGS-QMMMGPOBSA-N	226.345	3.226	70	20	BGID	
CC(C)Oc1cccnc1NC1CCCC1	159454650	KNGIMJFQGAXPTQ-UHFFFAOYSA-N	220.316	3.223	70	20	BGID	
Cc1cc(NCCCc2ccccc2)ccn1	160912473	RLVMHXRZEPICAM-UHFFFAOYSA-N	226.323	3.435	70	20	BGID	
CC(C)CCC(=O)N1CCc2c(F)cccc2C1	161086127	UEWONMZFUHDNER-UHFFFAOYSA-N	249.329	3.147	70	20	BGID	
CCC[C@@H](C(=O)NCCc1ccccc1)C(C)C	160629498	MNGRFVXXKVXPNZ-OAHLLOKOSA-N	247.382	3.418	70	20	BGID	
C1=C(CN[C@@H]2CCCc3sccc32)COCC1	160989740	XKORRADLZCWEHD-CYBMUJFWSA-N	249.379	3.062	70	20	BGID	
CC(C)CCN(C)C(=O)C[C@@H](C)c1ccncc1	159677364	VGHMIWUAJRLPJU-CYBMUJFWSA-N	248.370	3.080	70	20	BGID	
CC[C@@H]1CCCN(C(=O)CCCCSC)C1	159722316	LROIHDPPEADOIG-GFCCVEGCSA-N	243.416	3.168	70	20	BGID	
CC1CC(NCc2ccc(F)c(Cl)c2)C1	160161941	QORUHABLCBWTBJ-UHFFFAOYSA-N	227.710	3.367	70	20	BGID	
CC[C@H](NCc1ccc(C)s1)c1cnn(C)c1	160904494	PQHZRHGSBBGSSD-ZDUSSCGKSA-N	249.383	3.031	70	20	BGID	
C/C=C/CS[C@H](C)C(=O)OC(C)(C)C	161331690	ARJZKWDHGUCSOL-XCODYQFDSA-N	216.346	3.026	70	20	BGID	
Cc1cccc(NC(=O)NCC2CCCCC2)n1	217597480	SYIYNEYVZUVXEO-UHFFFAOYSA-N	247.342	3.092	70	20	BGID	
CC1(C)[C@@H]2C[C@@H]1CC=C2COC(=O)c1ccoc1	216823075	LDTBJMHSQRRNPN-QWHCGFSZSA-N	246.306	3.429	70	20	BGID	
CCC1CCC(N(C)C(=O)N(CC)CC)CC1	160407288	URHQLRYQDZNWHM-UHFFFAOYSA-N	240.391	3.349	70	20	BGID	
CC[C@@H](NC[C@H]1CCc2ccccc21)C1CC1	161001791	RERQRCINVZOQSA-GDBMZVCRSA-N	229.367	3.495	70	20	BGID	
CCCNC(=S)Nc1cc(F)cc(Cl)c1	217467382	QUWMMOOATZBEKK-UHFFFAOYSA-N	246.738	3.176	70	20	BGID	
COc1cccnc1N[C@@H]1CCC[C@H](C)C1	159455770	QOIJXCIXUNLDEU-WDEREUQCSA-N	220.316	3.081	70	20	BGID	
Cc1ccc(NC(=O)c2[nH]c(C)cc2C)c(F)c1	159920895	PLBBGTVRKHLUDD-UHFFFAOYSA-N	246.285	3.331	70	20	BGID	
CC(C)OC(=O)O[C@@H](C)Sc1ccncc1	160037711	VFGBILIFECXKKQ-SECBINFHSA-N	241.312	3.081	70	20	BGID	
CCCCSCCc1c(C)noc1C	160123876	KVVXUKQPQSFBIJ-UHFFFAOYSA-N	213.346	3.367	70	20	BGID	
CCC(=O)N1C[C@H](C)CSc2ccccc21	159699814	IBFSOUURNPUEIZ-JTQLQIEISA-N	235.352	3.171	70	20	BGID	
CC[C@@H](C)NC[C@@H]1CCc2ccccc21	160986453	ZJPUKJZNJNCZEF-YPMHNXCESA-N	203.329	3.105	70	20	BGID	
CCCC[C@@H](C)C(=O)N(CCC)CCC	218528657	XYFGNUPXRMZPNT-GFCCVEGCSA-N	213.365	3.461	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)N(C)c1ccccc1	159856258	GPJQDNPTNBJOOD-OCCSQVGLSA-N	217.312	3.086	70	20	BGID	
CC[C@H](C)NCC(F)(F)c1ccccc1	161165088	XGVMZUGWIIZSTK-JTQLQIEISA-N	213.271	3.167	70	20	BGID	
COc1cccnc1N[C@H]1CCCC[C@@H]1C	159465460	GHYRKVIHRVMDSW-QWRGUYRKSA-N	220.316	3.081	70	20	BGID	
C[C@@H](CO)CSC/C=C\c1ccccc1	218008536	BFTIWPZINBWBQG-JECSTDCCSA-N	222.353	3.061	70	20	BGID	
Cc1cnccc1NC(=O)[C@@H](C)c1ccsc1	159391898	MYRXHSCLWNCZCW-JTQLQIEISA-N	246.335	3.194	70	20	BGID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)C(C)C	161024468	HGZXBRWQBOIXJN-WDEREUQCSA-N	237.368	3.027	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)N(C)Cc1cccc(F)c1	159477312	OEKQPRFOHUOFAV-DZGCQCFKSA-N	249.329	3.220	70	20	BGID	
Cc1ccc(CN2CCCC[C@H]2CCO)c(C)c1	159728635	DXDRFTHCSYZVDW-INIZCTEOSA-N	247.382	3.040	70	20	BGID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cc(C)oc1C	159737018	FDLMFKUZOHPZSU-AAEUAGOBSA-N	235.327	3.205	70	20	BGID	
CC(C)c1ccccc1OC(=O)[C@@H]1CCCCO1	159755985	FMRFMXOVNPIFHQ-AWEZNQCLSA-N	248.322	3.285	70	20	BGID	
C[C@@H](Nc1nc(C2CC2)ns1)C1CCC1	160055350	MCVKXABYEXILHU-SSDOTTSWSA-N	223.345	3.016	70	20	BGID	
CCSCCN(C)[C@H](C)c1ccco1	159758823	SMTISPPSZMVXLY-SNVBAGLBSA-N	213.346	3.026	70	20	BGID	
C[C@@H]1CC[C@@H](C)N1c1nc(C(C)(C)C)ns1	159951616	FSHIKGKUDPTLKA-RKDXNWHRSA-N	239.388	3.213	70	20	BGID	
c1ccc2[nH]c(NCC3CCSCC3)nc2c1	161085015	XJMDWXSTCHUKIP-UHFFFAOYSA-N	247.367	3.118	70	20	BGID	
O=C(CC1CCC1)N[C@H]1CCCc2sccc21	160267938	IUCYCEDZCDANFX-LBPRGKRZSA-N	249.379	3.432	70	20	BGID	
CCC(CC)C(=O)OCc1nc(C)sc1C	160323236	YYZPEKCQJWSNJU-UHFFFAOYSA-N	241.356	3.239	70	20	BGID	
Cc1cc(C)c(NC(=O)NC(C)C)c(Cl)c1	217312822	DMYZTPMQSOCKDM-UHFFFAOYSA-N	240.734	3.487	70	20	BGID	
CC[C@H](C)NC(=O)Nc1c(F)cccc1Cl	217313061	QKXLOSVGEPSVTQ-ZETCQYMHSA-N	244.697	3.399	70	20	BGID	
CCC[C@H](C)C(=O)Nc1cc(C2CC2)nc(C)n1	159910912	FYWOQYNNCYSWDZ-VIFPVBQESA-N	247.342	3.037	70	20	BGID	
CN(CCC1CCCC1)Cc1cscn1	159642819	ZRSOQDXSAPFZAV-UHFFFAOYSA-N	224.373	3.155	70	20	BGID	
CCN(Cc1cc(O)cc(F)c1)CC(C)C	159816736	PHBMSZSPGFESLV-UHFFFAOYSA-N	225.307	3.009	70	20	BGID	
COCC(C)(C)C(=O)Nc1cccc(C(C)C)c1	159403045	GPMIUVAEACZYAD-UHFFFAOYSA-N	249.354	3.421	70	20	BGID	
C[C@@H](C1CC1)N(C)Cc1csc(C2CC2)n1	161461956	DJBYKDKBICXPII-VIFPVBQESA-N	236.384	3.251	70	20	BGID	
CCCC(C)(C)NC(=O)C[C@@H](C)c1ccncc1	160287200	QFZIIGPCOUKBDZ-GFCCVEGCSA-N	248.370	3.270	70	20	BGID	
CCc1nnc([C@@H](C)N(CC)C[C@@H](C)CC)o1	160515543	AQXHFTSMHSRHGL-WDEREUQCSA-N	239.363	3.061	70	20	BGID	
Cc1cc(NC[C@H]2Cc3ccccc32)ccn1	160918537	BLGDSRLPHFWVDW-CYBMUJFWSA-N	224.307	3.142	70	20	BGID	
O=C(N[C@H]1CCCc2sccc21)C1=CCCC1	160123564	ZACYLALMYHHUDX-LBPRGKRZSA-N	247.363	3.352	70	20	BGID	
CCc1nc(CSCCCF)cs1	161464749	IXVKKKRSEIMWCD-UHFFFAOYSA-N	219.350	3.298	70	20	BGID	
CC[C@@H](CSC)Nc1nc(Cl)cs1	217380356	FJTFEVAJUIMUHL-LURJTMIESA-N	236.793	3.350	70	20	BGID	
CCC[C@@H]1CCC[C@H](S(=O)(=O)Cl)CC1	114438851	DBHBDHKVQRMWCX-ZJUUUORDSA-N	238.780	3.304	70	20	BGID	
c1ccc2[nH]c(CSc3ccncc3)nc2c1	159875839	FEUGXLIHNOSCIO-UHFFFAOYSA-N	241.319	3.250	70	20	BGID	
Fc1ccc(CNC2CC=CC2)cc1Cl	160166844	MRKMZTYTJKLAFD-UHFFFAOYSA-N	225.694	3.287	70	20	BGID	
CC[C@H]1CCC[C@H]1NC(=O)C[C@H]1C=CCC1	159782849	KLNMQLGDTBFNFJ-RWMBFGLXSA-N	221.344	3.038	70	20	BGID	
CC(C)Oc1ccc(CN[C@@H](C)C(C)C)cn1	160049152	JSZDSQLXNFDJOM-LBPRGKRZSA-N	236.359	3.003	70	20	BGID	
C[C@H](N[C@H]1CCCC[C@@H]1C)c1cscn1	161128705	FTWIMUGUUZMGEZ-DCAQKATOSA-N	224.373	3.372	70	20	BGID	
Cc1cc(N[C@@H](C)c2cccc(F)c2)nn1C	159601249	ODUQMKSJGLCVIH-JTQLQIEISA-N	233.290	3.041	70	20	BGID	
Cc1ccc(C(=O)CCN(C)CCC2CC2)cc1	160928503	HFTHLBJYXADPJI-UHFFFAOYSA-N	245.366	3.300	70	20	BGID	
CCN(Cc1cnc2ccccn12)[C@H](C)C(C)C	160435043	JINRGFZRHNPAHL-CYBMUJFWSA-N	245.370	3.201	70	20	BGID	
C[C@@H](Nc1nc2ccccc2[nH]1)C1CCC1	160557350	DNUSCMMHJSAPGD-SECBINFHSA-N	215.300	3.163	70	20	BGID	
Cc1ccc(C(=O)CCN2[C@H](C)CC[C@H]2C)cc1	160148029	ZPWRJJCUVRSSLL-ZIAGYGMSSA-N	245.366	3.441	70	20	BGID	
Cc1cccc(C)c1COc1cccnc1F	160398822	IACRVBOFCQCPGE-UHFFFAOYSA-N	231.270	3.417	70	20	BGID	
CCCCN(CC)C(=O)[C@H]1C[C@@]1(C)CC	160735640	KXJAKKRLKZVMEU-DGCLKSJQSA-N	211.349	3.071	70	20	BGID	
CC[C@@H](Nc1cc(C)n(C)n1)c1ccccc1	159575177	BXDSGEYIAGCGDS-CYBMUJFWSA-N	229.327	3.292	70	20	BGID	
CC(C)=CC(=O)N[C@@H]1CCCc2sccc21	159862931	DLFRYDOZYBZAMQ-LLVKDONJSA-N	235.352	3.208	70	20	BGID	
CC(C)COCCN[C@H](C)[C@@H](C)c1ccccc1	160673024	APLZJPGGPDZWJU-HUUCEWRRSA-N	249.398	3.441	70	20	BGID	
CC[C@@H](C)C(=O)OCc1ccc(Cl)cc1	218106941	HMASELREFHRLLA-SECBINFHSA-N	226.703	3.429	70	20	BGID	
CC(C)CCN1CCN(C)C[C@@H]1c1ccccc1	216731063	ORCUVYVOBFJWAL-MRXNPFEDSA-N	246.398	3.021	70	20	BGID	
CCCC(=O)N[C@@H](C)C1CCCCCC1	160671516	PCNNCTMLBRSXFB-NSHDSACASA-N	211.349	3.262	70	20	BGID	
CCCC[C@H](CC)CNC(=O)c1cccc(O)c1	218084055	ILKNNNGFDBIKCD-LBPRGKRZSA-N	249.354	3.338	70	20	BGID	
Cc1ccccc1C[C@@H](C)NC(=O)[C@@H]1CC1(C)C	159393542	TXPBCAVXIGMFNP-OCCSQVGLSA-N	245.366	3.088	70	20	BGID	
C[C@H](C(=O)N[C@H]1CCCc2sccc21)C1CC1	160197100	MTCIFMROIVMLCZ-CABZTGNLSA-N	249.379	3.288	70	20	BGID	
COCC(C)(C)c1nc(C2CCCCC2)no1	161450805	LKLAGVDWVOAPNS-UHFFFAOYSA-N	238.331	3.041	70	20	BGID	
CCc1ncnc(N[C@@H]2CCCC[C@@H]2C)c1F	217955025	NYTIVUMWJAZRAN-GXSJLCMTSA-N	237.322	3.169	70	20	BGID	
Oc1cc(F)cc(CNc2ccccc2)c1	159583834	PNCIVTCTARQHCO-UHFFFAOYSA-N	217.243	3.143	70	20	BGID	
CCC[C@H](C(=O)N1CCCC[C@H]1C)C(C)C	161146721	LEVPSEHBPWJBAP-OLZOCXBDSA-N	225.376	3.460	70	20	BGID	
CC(C)n1cccc1C(=O)N[C@H]1CCCC[C@H]1C	161151277	DJHDWPGMYVAZQM-OLZOCXBDSA-N	248.370	3.378	70	20	BGID	
Cn1nccc1CSc1cccc(Cl)c1	161362085	SZNKAOXWDKITDD-UHFFFAOYSA-N	238.743	3.366	70	20	BGID	
CCC(C)(CC)C(=O)N(C)c1ncccc1F	159497018	DSLCYNGWEXBIGW-UHFFFAOYSA-N	238.306	3.010	70	20	BGID	
C/C=C/C[S@@](=O)c1ncc(C(C)(C)C)s1	160500362	WQJLDUHUEFNQNQ-NFAHFFEMSA-N	243.397	3.124	70	20	BGID	
CC(C)Cc1noc(-c2cc(C(C)C)on2)n1	160841520	XVUWIXWWXUHPKN-UHFFFAOYSA-N	235.287	3.047	70	20	BGID	
CC(C)=CCOC(=O)CCc1cccc(C)c1	217406023	FDCFSJHBFIAWTI-UHFFFAOYSA-N	232.323	3.437	70	20	BGID	
Cc1cc(C)c(CS[C@@H](C)CO)c(C)c1	160740176	CZBYUQZGFKTVFY-LBPRGKRZSA-N	224.369	3.226	70	20	BGID	
C[C@H]1CC[C@H](C)N1c1nc2cc(F)ccc2o1	161409464	KJCPBKFEUQLAOQ-IUCAKERBSA-N	234.274	3.344	70	20	BGID	
CC[C@@H]1CCN(c2nc(C(C)(C)C)ns2)C1	159926971	BZGNVKMZHWPKFZ-SECBINFHSA-N	239.388	3.072	70	20	BGID	
O=C(NCC1(C2CC2)CC1)C1CCCCCC1	160211404	LVWOOBZXHWPOHJ-UHFFFAOYSA-N	235.371	3.263	70	20	BGID	
Cc1ccc(C(=O)NCC2(C3CC3)CC2)cc1C	160226801	ODYMURYMUZBVRL-UHFFFAOYSA-N	243.350	3.223	70	20	BGID	
O=C(N[C@H]1CCCc2sccc21)C1CCC1	160071795	JMPKJBQMBGOIBE-NSHDSACASA-N	235.352	3.042	70	20	BGID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)C(C)C	161024251	HGZXBRWQBOIXJN-QWRGUYRKSA-N	237.368	3.027	70	20	BGID	
CCC(=O)N1C[C@@H](C)CSc2ccccc21	159699950	IBFSOUURNPUEIZ-SNVBAGLBSA-N	235.352	3.171	70	20	BGID	
CC[C@@H](NCc1ccc(CN(C)C)cc1)C1CC1	160894456	BKNJPXVZUXZIOT-MRXNPFEDSA-N	246.398	3.026	70	20	BGID	
CC[C@@H](N[C@H](C)COC)c1ccc(F)cc1F	160657249	HIDOWTGUBAIIRZ-NOZJJQNGSA-N	243.297	3.040	70	20	BGID	
CC(C)n1cccc1C(=O)N1C[C@@H](C)C[C@H](C)C1	161325784	YCHNMGAZWHPSTK-STQMWFEESA-N	248.370	3.187	70	20	BGID	
Cc1cc(F)ccc1N[C@@H](C)CCn1cccn1	159362663	ZLOZFPBGMLGFHU-LBPRGKRZSA-N	247.317	3.221	70	20	BGID	
CC(=O)c1c(F)cccc1N1CC=C(C)CC1	159975620	QLBVWJXRVCZTNV-UHFFFAOYSA-N	233.286	3.185	70	20	BGID	
CCCNC(=O)NCC1(CC(C)C)CCCC1	160695879	GENHFYGXLQJSPB-UHFFFAOYSA-N	240.391	3.302	70	20	BGID	
CCC[C@H](C)C(=O)OCc1nc(C)sc1C	160326920	SSTNKSKRNGCWEF-QMMMGPOBSA-N	241.356	3.239	70	20	BGID	
CC[C@H](N[C@H](C)CC)c1ccc(F)cn1	161303897	LODRCCBCZORBMP-KOLCDFICSA-N	210.296	3.060	70	20	BGID	
COc1ccc(OCc2nccs2)cc1C	161371010	IOCYAPNZIWNNGH-UHFFFAOYSA-N	235.308	3.039	70	20	BGID	
CCC[C@@H](C)C(=O)Nc1cc(C2CC2)nc(C)n1	159910793	FYWOQYNNCYSWDZ-SECBINFHSA-N	247.342	3.037	70	20	BGID	
CCSCC[C@@H](C)N[C@@H](C)c1cscn1	161216264	QNTPHSCEGIIMPT-ZJUUUORDSA-N	244.429	3.325	70	20	BGID	
CCC(C)(CC)C(=O)N1CC[C@@H](C)[C@H](C)C1	159407821	XCAPXVUQAKCNDC-VXGBXAGGSA-N	225.376	3.317	70	20	BGID	
C[C@@H](NC[C@H](C)C(C)(C)C)c1cscn1	161200610	HEXJURMFDHNPKG-VHSXEESVSA-N	226.389	3.476	70	20	BGID	
C[C@H](NCCC(C)(C)O)c1cc2ccccc2o1	159773759	NLDDUBLMZVMQOF-NSHDSACASA-N	247.338	3.244	70	20	BGID	
C[C@@H]1CCC[C@@H](CNc2cncc(Cl)n2)C1	217928091	ZETQGFSOVGHEIO-NXEZZACHSA-N	239.750	3.368	70	20	BGID	
Cc1cccc(C)c1OCc1nccs1	161111271	RNWIHMPKFKJJOC-UHFFFAOYSA-N	219.309	3.339	70	20	BGID	
CSCCN[C@H]1C[C@H](C)CC[C@@H]1C(C)C	218560559	QEIFFXNRQWNORB-UPJWGTAASA-N	229.433	3.400	70	20	BGID	
CCCCCN1CCN(C)C[C@@H]1c1ccccc1	216730998	HTSSLRTXFFPORH-MRXNPFEDSA-N	246.398	3.165	70	20	BGID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cscc1C	159711115	WCFADXDZSSEEDN-ZYHUDNBSSA-N	237.368	3.365	70	20	BGID	
CC(C)C[C@@H](C)CC(=O)NCC1(C2CC2)CC1	160034077	VBXMAYKBPKFQHJ-GFCCVEGCSA-N	237.387	3.365	70	20	BGID	
CCC(C)(CC)C(=O)N1CC[C@@H](C)[C@@H](C)C1	159408055	XCAPXVUQAKCNDC-NEPJUHHUSA-N	225.376	3.317	70	20	BGID	
CCO[C@H](C)c1nccn1C[C@@H](C)CC	161454459	LAYXFVZXUGDOGE-WDEREUQCSA-N	210.321	3.027	70	20	BGID	
CCc1csc(N[C@H](C)C2CCC2)n1	160065752	PWUBOVDUBNKVMZ-MRVPVSSYSA-N	210.346	3.306	70	20	BGID	
CCc1ccccc1C(=O)N[C@H](C)[C@@H](C)CC	160228478	CNTUHVFDMBQZGG-NWDGAFQWSA-N	233.355	3.413	70	20	BGID	
CCCC(=O)OCC1=CC[C@H]2C[C@H]1C2(C)C	218540414	RCDZZTVAOZLRIR-NWDGAFQWSA-N	222.328	3.322	70	20	BGID	
CC(C)(C)CCC(=O)N1CCCC(C)(C)C1	159997409	YQXKNJCGCYDMIU-UHFFFAOYSA-N	225.376	3.461	70	20	BGID	
C[C@H](N[C@@H]1CCC[C@@H](C)C1)c1cscn1	161169894	AJRKJDPCCWUFJQ-OUAUKWLOSA-N	224.373	3.372	70	20	BGID	
C[C@@H](N[C@H]1CCCC1(C)C)c1cscn1	161220113	KJKVLTOFLQMDKB-KOLCDFICSA-N	224.373	3.372	70	20	BGID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CCSC	160784802	XSPRMCWOIZWMFR-NEPJUHHUSA-N	243.416	3.167	70	20	BGID	
c1cn(CCSc2ccc3c(c2)CCC3)cn1	159727523	MVHBWIZILDGHCF-UHFFFAOYSA-N	244.363	3.164	70	20	BGID	
CCCC(C)(C)NC(=O)C[C@H](C)c1ccncc1	160287332	QFZIIGPCOUKBDZ-LBPRGKRZSA-N	248.370	3.270	70	20	BGID	
CSC[C@@H](C)NC(=O)C1CCC(C)(C)CC1	160550095	GKBHHRDYPPLBSG-SNVBAGLBSA-N	243.416	3.071	70	20	BGID	
CC(C)N(Cc1csc(C2CC2)n1)C1CC1	161493334	NCRQARDGVGMLRL-UHFFFAOYSA-N	236.384	3.393	70	20	BGID	
C[C@H](CO)SCc1c(F)cccc1Cl	160731886	MLJXHHRACGTRBG-SSDOTTSWSA-N	234.723	3.093	70	20	BGID	
CCSCC[C@H](C)N[C@@H](C)c1cscn1	161216386	QNTPHSCEGIIMPT-UWVGGRQHSA-N	244.429	3.325	70	20	BGID	
CCC1(CNc2ccc(C(F)(F)F)nn2)CC1	218059614	RKJNYXKURHTDSI-UHFFFAOYSA-N	245.248	3.098	70	20	BGID	
CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C)cn1	159626411	ZODFOTQJMIZNSO-LBPRGKRZSA-N	246.354	3.220	70	20	BGID	
CCCN(CCC)C(=O)[C@H]1C[C@@]1(C)CC	160886748	PXBVOSXPAGBMMV-DGCLKSJQSA-N	211.349	3.071	70	20	BGID	
COc1cc(N[C@@H](C)c2cccnc2)ccc1F	159981453	ORPJYDHDZYUFCO-JTQLQIEISA-N	246.285	3.402	70	20	BGID	
CCCCC(=O)Nc1cccc(OCCF)c1	160668159	QWFBWWUBGJZWIR-UHFFFAOYSA-N	239.290	3.164	70	20	BGID	
COc1cc(C(=O)OCC=C(C)C)ccc1C	217406161	TUJSVGIAEPCUSR-UHFFFAOYSA-N	234.295	3.127	70	20	BGID	
CC[C@H](CSC)NC(=O)C(C)(CC)CC	159431104	KKUXJKGKYVSRFC-SNVBAGLBSA-N	231.405	3.071	70	20	BGID	
CC(C)Oc1ccc(CN[C@H](C)C(C)C)cn1	160049024	JSZDSQLXNFDJOM-GFCCVEGCSA-N	236.359	3.003	70	20	BGID	
CS[C@H](C)CC(=O)NC[C@H]1CCCC[C@@H]1C	161110261	KUSZCFQDDACIDG-QJPTWQEYSA-N	243.416	3.071	70	20	BGID	
CCCN(Cc1cc(O)cc(F)c1)C(C)C	159816874	BERZNJADZXYZSB-UHFFFAOYSA-N	225.307	3.152	70	20	BGID	
CCCCNC(=O)N1CC=C(C(C)(C)C)CC1	160800952	LHMAFYQHPGGYIK-UHFFFAOYSA-N	238.375	3.174	70	20	BGID	
CSCC[C@@H](C)Nc1nc2ccccc2[nH]1	160552468	FYKMLIOZBUMMLW-SECBINFHSA-N	235.356	3.116	70	20	BGID	
C[C@H]1CCCCN1Cc1csc(C2CC2)n1	161273251	NGLCCGOSJOLKEQ-JTQLQIEISA-N	236.384	3.395	70	20	BGID	
CCCC(=O)N(C)[C@H]1CCCC[C@H]1CC	160939901	HHQLXWNXMUFCLS-NEPJUHHUSA-N	211.349	3.214	70	20	BGID	
CC[C@](C)(O)CN1CC[C@H](c2ccccc2)[C@@H]1C	161487073	GWMAGGIBMMUZFW-BPUTZDHNSA-N	247.382	3.025	70	20	BGID	
Cc1ccc(C(=O)NCC2(C3CC3)CC2)c(C)c1	159693187	VJAOMHQGJGLGHC-UHFFFAOYSA-N	243.350	3.223	70	20	BGID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccccn1	160937094	LDGDMNVPXPAZBL-OCCSQVGLSA-N	246.354	3.122	70	20	BGID	
OCCCSCc1cccc(F)c1Cl	159903010	JLDXQMMMMLLDPY-UHFFFAOYSA-N	234.723	3.095	70	20	BGID	
CC[C@H](C)[C@H](C)NC(=O)c1ccc(Cl)o1	218104743	MUAXXUOOBDEFMO-YUMQZZPRSA-N	229.707	3.097	70	20	BGID	
CC[C@@H]1CCC[C@H]1NC(=O)c1oc(C)cc1C	159711609	WUJJICYUCXDTQW-VXGBXAGGSA-N	235.327	3.205	70	20	BGID	
Cc1ccc(NC(=O)Nc2ccccc2C)cn1	161462467	BTEMFBFERUQANW-UHFFFAOYSA-N	241.294	3.342	70	20	BGID	
CN(C(=O)CCSCC1CC1)c1ccccc1	160151768	QZXISESLQIGDFV-UHFFFAOYSA-N	249.379	3.183	70	20	BGID	
CC[C@@H](C)NC(=O)Nc1c(F)cccc1Cl	217313060	QKXLOSVGEPSVTQ-SSDOTTSWSA-N	244.697	3.399	70	20	BGID	
CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(C)c1F	161478149	IDEWKWFXPOFVHC-MWLCHTKSSA-N	237.318	3.299	70	20	BGID	
CCC[C@H](C(=O)N1CCCCC1)C(C)C	160443878	XUPISNLKNJICBA-LBPRGKRZSA-N	211.349	3.071	70	20	BGID	
CCC[C@@H](C)OC(=O)c1cc(F)cnc1Cl	218158874	YHYFMOVEXPIQCY-SSDOTTSWSA-N	245.681	3.220	70	20	BGID	
CC(C)c1ccc(C(=O)N2CCCC[C@H]2C)cn1	159626288	ZODFOTQJMIZNSO-GFCCVEGCSA-N	246.354	3.220	70	20	BGID	
CCn1nccc1CN(C(C)C)C1CCCCC1	159769589	JFJJXWRDYSQGPC-UHFFFAOYSA-N	249.402	3.446	70	20	BGID	
C[C@@H](C(=O)N[C@H]1CCCc2sccc21)C1CC1	160197244	MTCIFMROIVMLCZ-SKDRFNHKSA-N	249.379	3.288	70	20	BGID	
Cc1cccc(F)c1NCC[C@@H]1CCCO1	160312975	HJWSWHFHVNEAJC-NSHDSACASA-N	223.291	3.115	70	20	BGID	
CSc1ccc(CS[C@@H](C)CO)cc1	160776910	WZMNFZXVASEBRZ-VIFPVBQESA-N	228.382	3.023	70	20	BGID	
CC(C)[C@H](C)N(C(=O)[C@@H]1CC1(C)C)C1CC1	161015104	JGFQOGIDNHKMSW-JQWIXIFHSA-N	223.360	3.068	70	20	BGID	
CS[C@H](C)CC(=O)N(C1CC1)[C@@H](C)C(C)C	161036644	MUFAAJDYFJZOGM-MNOVXSKESA-N	243.416	3.164	70	20	BGID	
CCCCc1noc(CSCCCF)n1	161446883	RHQODCBPSWCNSD-UHFFFAOYSA-N	232.324	3.005	70	20	BGID	
CC1(C)CCC[C@@H](NC(=O)NC2CCCC2)C1	160720607	FFPOVLDCSMVJIA-GFCCVEGCSA-N	238.375	3.197	70	20	BGID	
Cc1cc(C)nc(NC[C@H]2CCC[C@H](C)C2)n1	217930078	RPVXRTMCDDXDHR-GWCFXTLKSA-N	233.359	3.332	70	20	BGID	
CCCCC(=O)NCCc1cc2ccccc2[nH]1	159506442	PFAMMVVUBILLLT-UHFFFAOYSA-N	244.338	3.017	70	20	BGID	
CC[C@H]1CCC[C@@H]1NC(=O)C[C@H]1C=CCC1	159782601	KLNMQLGDTBFNFJ-AVGNSLFASA-N	221.344	3.038	70	20	BGID	
Cc1cc(C(=O)NCC2(C3CC3)CC2)c(C)s1	159806934	UQVYBQZBGONMBJ-UHFFFAOYSA-N	249.379	3.285	70	20	BGID	
C[C@@H](Nc1c(F)c(F)nc(F)c1F)C1CCC1	159994562	NQVVNOCRPLIARP-RXMQYKEDSA-N	248.223	3.239	70	20	BGID	
CCC[C@@H](CC)NC(=O)C[C@H](C)c1ccncc1	160265542	VPOJJKXFCJMQNS-GXTWGEPZSA-N	248.370	3.270	70	20	BGID	
CC[C@H]1CCN(c2ccc(F)cc2C(C)=O)C1	160292923	PHOLHQWIBLRRJP-NSHDSACASA-N	235.302	3.265	70	20	BGID	
CCC[C@H](C(=O)Nc1nccs1)C(C)C	160958685	FRNRYUQLVLZLIR-VIFPVBQESA-N	226.345	3.154	70	20	BGID	
Cc1ccc(NC(=O)N2CCCC(C)(C)C2)cn1	161460226	DKWONGXAORWCGP-UHFFFAOYSA-N	247.342	3.044	70	20	BGID	
CCCCN(CC)C(=O)c1ccc(C(C)C)nc1	160610304	RBXLWWXQSNQGHA-UHFFFAOYSA-N	248.370	3.467	70	20	BGID	
CCCC[C@@H](CC)CS[C@@H](C)CO	160767036	RUCMEPRKKVRNDV-WDEREUQCSA-N	204.379	3.317	70	20	BGID	
CS[C@H](C)CC(=O)NCC1CCC(C)CC1	160941849	LCHIXOJZMVTSSP-MOENNCHZSA-N	243.416	3.071	70	20	BGID	
CCCN(CCC)C(=O)[C@H]1C[C@]1(C)CC	160887004	PXBVOSXPAGBMMV-YPMHNXCESA-N	211.349	3.071	70	20	BGID	
O=S(=O)(Cl)C1CCC2(CCCC2)CC1	161441533	YKQJIVPKMIVFMB-UHFFFAOYSA-N	236.764	3.058	70	20	BGID	
F[B-](F)(F)c1cccc(-c2ccccc2)c1	575451001	UDTVQMVNFZSYMD-UHFFFAOYSA-N	221.010	3.408	70	20	BGID	
CCN(C)C(=O)N1CCC[C@@H](C(C)(C)C)CC1	160604115	HPSCEOSERIVSSJ-GFCCVEGCSA-N	240.391	3.206	70	20	BGID	
CCCC1(CNC(=O)C2(CC)CCC2)CC1	160725027	FBIKNPKSQMEJHV-UHFFFAOYSA-N	223.360	3.263	70	20	BGID	
CC(C)C(=O)N[C@H](C)C1CCCCCC1	160674077	INNFLGAUTNLFJC-LLVKDONJSA-N	211.349	3.118	70	20	BGID	
CC[C@H](C)[C@H](C)N[C@@H](C)c1cscn1	161166270	SKQDIJUSZZVVJD-GUBZILKMSA-N	212.362	3.228	70	20	BGID	
CC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1CC	161270709	XCTSOBRIBRGSFD-YNEHKIRRSA-N	225.376	3.460	70	20	BGID	
CC(C)NC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2	217312817	OSEMTGVSSJCHCG-RISCZKNCSA-N	238.375	3.005	70	20	BGID	
CC[C@H](c1ccccc1)N(C)CCOCC1CC1	159756530	ZWZHBOJXBVQUEH-MRXNPFEDSA-N	247.382	3.496	70	20	BGID	
CCC1(CC)CCN(C(=O)NC(C)(C)C)CC1	160551954	GPZRCGYEGFHSMK-UHFFFAOYSA-N	240.391	3.397	70	20	BGID	
CC(C)CCOC(=O)c1cc2c(s1)CCC2	217475570	TYNJAYGTCMOLBR-UHFFFAOYSA-N	238.352	3.440	70	20	BGID	
CCc1ncnc(N[C@@H](C)CC(C)C)c1F	218077216	NQAUQIVMFPJEPO-VIFPVBQESA-N	225.311	3.025	70	20	BGID	
CC(C)C(=O)N1C[C@H](C)CSc2ccccc21	159501071	ZNBCNHDLBQKZLJ-NSHDSACASA-N	249.379	3.417	70	20	BGID	
C[C@@H](NCCO)c1ccc(C2CCCCC2)cc1	159700253	YIRXVQMTHRHYKC-CYBMUJFWSA-N	247.382	3.377	70	20	BGID	
CC[C@@H](C)CN(C)C(=O)C[C@H](C)c1ccncc1	160535890	OYARYTJIHCKCFR-OLZOCXBDSA-N	248.370	3.080	70	20	BGID	
CC(C)(Cc1ccccc1)C(=O)NC1CC=CC1	160971850	VRCAZVZDWKVPIP-UHFFFAOYSA-N	243.350	3.090	70	20	BGID	
CC[C@H](NC[C@@H]1CCc2ccccc21)C1CC1	161001444	RERQRCINVZOQSA-HOCLYGCPSA-N	229.367	3.495	70	20	BGID	
CC[C@H]1CCC[C@@H]1NC(=O)c1sccc1C	159530031	UMSONIHSDVBGAI-QWRGUYRKSA-N	237.368	3.365	70	20	BGID	
CC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C)nc1	161314610	SFTVIKDSMOIWLP-YPMHNXCESA-N	247.342	3.090	70	20	BGID	
O=S(=O)(Cl)[C@H]1CCCC12CCCCC2	306259772	SMRGQBJAZBSXPB-VIFPVBQESA-N	236.764	3.058	70	20	BGID	
CCSCCN1CCC[C@H]1C1CCC1	160455171	KPNJZRKQDJYCCC-LBPRGKRZSA-N	213.390	3.004	70	20	BGID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C(C)C	160937623	VVYZBYLHBBUSQU-NEPJUHHUSA-N	211.349	3.070	70	20	BGID	
Cc1cc(NC[C@H]2CCC[C@H](C)C2)nc(C)n1	217929737	YOLLUOVGWHVRCR-GWCFXTLKSA-N	233.359	3.332	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)N1[C@@H](C)CCC[C@H]1C	160885379	QWEMYEOHKVRMPM-CZXHOFHRSA-N	223.360	3.212	70	20	BGID	
CCC[C@@H](C)N(C)C(=O)c1cccc(C)c1F	161456500	GOXSPTCUPRUYIA-LLVKDONJSA-N	237.318	3.395	70	20	BGID	
CC(C)CC(=O)N[C@@H]1CCCc2sccc21	160166705	SIQOQHWOVWBLTD-LLVKDONJSA-N	237.368	3.288	70	20	BGID	
CC[C@@H](C)N(C)CCCc1cccc(OC)c1	160340655	UKBPLJBFJBOHOB-CYBMUJFWSA-N	235.371	3.358	70	20	BGID	
C[C@@H]1CCC[C@H](C(=O)NCC2(C3CC3)CC2)C1	159686320	NGQSWUJDPIFBBT-NEPJUHHUSA-N	235.371	3.119	70	20	BGID	
Cc1nccn1CCCCN(C)C1CCCCC1	159725904	ZAFISPJMXOSTRW-UHFFFAOYSA-N	249.402	3.236	70	20	BGID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)C(C)C	160937759	VVYZBYLHBBUSQU-RYUDHWBXSA-N	211.349	3.070	70	20	BGID	
C[C@@H](c1ccco1)N(C(=O)[C@H]1CC1(C)C)C1CC1	160666010	VDZGSCVWVXUBHC-CMPLNLGQSA-N	247.338	3.378	70	20	BGID	
FC(F)(F)CCN1CCc2ccccc2CC1	216676593	YHBQTGIORDVMRV-UHFFFAOYSA-N	243.272	3.040	70	20	BGID	
Cc1ccoc1CN(C)Cc1cccc(F)c1	160467148	JGVDRUCGJHLGSX-UHFFFAOYSA-N	233.286	3.359	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)N(CC(C)C)C1CC1	161004724	MGXMOLFXYPDZEU-GXTWGEPZSA-N	223.360	3.070	70	20	BGID	
CC[C@@H](C)CN(CC)Cc1cnc2ccccn12	160953244	WXFGDKBRYWOZOL-CYBMUJFWSA-N	245.370	3.202	70	20	BGID	
CCC[C@H](C)C(=O)N1CCc2c(F)cccc2C1	161001721	MQMYSQFVSXTPKB-NSHDSACASA-N	249.329	3.147	70	20	BGID	
CC1=C(C(=O)Nc2cc(C)cc(F)c2)CCCO1	160586702	HLBSKBHQXHNUJI-UHFFFAOYSA-N	249.285	3.157	70	20	BGID	
CC[C@H](C)C(=O)OCc1ccc(Cl)cc1	218107024	HMASELREFHRLLA-VIFPVBQESA-N	226.703	3.429	70	20	BGID	
CCOCCCN(CC)c1cccc(F)c1	159451028	OJMCVTRPHOAOIP-UHFFFAOYSA-N	225.307	3.079	70	20	BGID	
CCCN(Cc1ccccc1)Cc1ccn(C)c1	160476879	ZBPNTFSBRRFWEJ-UHFFFAOYSA-N	242.366	3.437	70	20	BGID	
O=C(CC1CC1)N[C@H]1CCCc2sccc21	159893712	PBYHOKZYKNJLOT-NSHDSACASA-N	235.352	3.042	70	20	BGID	
C[C@H](Nc1cnc2ccccc2n1)C1CCC1	159981705	IXLROOSNBBETKA-JTQLQIEISA-N	227.311	3.230	70	20	BGID	
CCC(CC)CNC(=O)N(C)C1CCCCC1	160604476	MLBVSCKMMBUKMF-UHFFFAOYSA-N	240.391	3.397	70	20	BGID	
Cc1cccc(SCc2ccnn2C)c1	161351356	PMAXKEPVOJFLTK-UHFFFAOYSA-N	218.325	3.021	70	20	BGID	
Cc1ccc(SCc2nnc(C)n2C)c(C)c1	160975889	JEQSENDGTIEYNX-UHFFFAOYSA-N	247.367	3.033	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)Nc1cc(F)cc(F)c1	160280592	OZTLYDZTDJMRLA-WCQYABFASA-N	239.265	3.340	70	20	BGID	
CC1(C)C[C@H]1C(=O)Nc1nc(C2CC2)cs1	160550054	KYFGZAHNUVBWBA-QMMMGPOBSA-N	236.340	3.005	70	20	BGID	
C/C=C/COC(=O)CCc1ccccc1Cl	217398864	TUWJMSZERRIIRA-NSCUHMNNSA-N	238.714	3.392	70	20	BGID	
O=S(=O)(Cl)[C@@H]1CCCC12CCCCC2	306259771	SMRGQBJAZBSXPB-SECBINFHSA-N	236.764	3.058	70	20	BGID	
O=C(Nc1ccc(C2CC2)cc1)c1ccccn1	217638588	NPQNOMHDTBNWNT-UHFFFAOYSA-N	238.290	3.211	70	20	BGID	
CCC(CC)(CNCC(C)C)SC	218118837	IODMQGIMDUGTHA-UHFFFAOYSA-N	203.395	3.154	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)C1	161260809	XSDRCWLTJSNGAG-FMCLSXCISA-N	223.360	3.118	70	20	BGID	
Fc1cc(F)cc(OCc2nccs2)c1	161302858	GCVAGRJWKWMSQF-UHFFFAOYSA-N	227.235	3.000	70	20	BGID	
CC[C@@H](C)OCC(=O)N(C)c1ccc(C)cc1C	159855275	GQCGQIHPMWLGJY-CYBMUJFWSA-N	249.354	3.081	70	20	BGID	
CCC[C@H](CC)NC(=O)C[C@H](C)c1ccncc1	160265661	VPOJJKXFCJMQNS-JSGCOSHPSA-N	248.370	3.270	70	20	BGID	
CCC(C)(C)NC(=O)c1ccc(C(C)C)nc1	159604119	LIUJUAPLQHWMPG-UHFFFAOYSA-N	234.343	3.123	70	20	BGID	
Cc1cc(C)cc(C(=O)NCC2(C3CC3)CC2)c1	160153040	FFAFBSAHWPWFLE-UHFFFAOYSA-N	243.350	3.223	70	20	BGID	
Cc1ccc(-c2ccc3c(c2)CCNC3)cc1	217481693	XAHOLIARUYNELJ-UHFFFAOYSA-N	223.319	3.308	70	20	BGID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H](C)C1CC1	160825088	QHNRYRKGBHSZRR-SCRDCRAPSA-N	237.387	3.460	70	20	BGID	
CCCC1(CNC(=O)C[C@H]2C=CCC2)CC1	160637507	OAOTXWWJPBPTFZ-LBPRGKRZSA-N	221.344	3.039	70	20	BGID	
CCN(C)C(=O)N(CCC(C)C)C1CCCC1	160692608	IQMLRYGVLHLYME-UHFFFAOYSA-N	240.391	3.349	70	20	BGID	
CC(C)CC1(C(=O)NC2CC=CC2)CCC1	160797460	UWBVTILZVRIPQA-UHFFFAOYSA-N	221.344	3.038	70	20	BGID	
CC(C)(C)C[C@H](CO)Nc1nccc2occc12	161452043	NJXONHSCMQNNKD-SNVBAGLBSA-N	248.326	3.037	70	20	BGID	
Cc1ccc([C@H](C2CC2)S(=O)(=O)Cl)cc1	88251477	NEMNTBYZMTVNMU-LLVKDONJSA-N	244.743	3.015	70	20	BGID	
C[C@H]1CCC[C@@H](CNC(=O)NC2CCCC2)C1	218048676	RXYZKRGKZIYJNB-NWDGAFQWSA-N	238.375	3.055	70	20	BGID	
CCC(C)(CC)C(=O)Nc1ccc2c(c1)COC2	159415265	ZIBYUSCDSZSTNY-UHFFFAOYSA-N	247.338	3.482	70	20	BGID	
CC(C)CCOC(=O)c1cc(F)cnc1Cl	218159464	VNNJZDJYUSPCFL-UHFFFAOYSA-N	245.681	3.077	70	20	BGID	
COC[C@@H](NCCC(C)(C)C)c1ccc(C)o1	159672243	YIMNJSWUNIXIGR-GFCCVEGCSA-N	239.359	3.301	70	20	BGID	
C[C@@H](NCCC(C)(C)O)c1cc2ccccc2o1	159773907	NLDDUBLMZVMQOF-LLVKDONJSA-N	247.338	3.244	70	20	BGID	
CCC(C)(CC)C(=O)NCC1(C2CC2)CC1	159364102	AJRTVYWTMICURL-UHFFFAOYSA-N	223.360	3.119	70	20	BGID	
CCCCN(CC)Cc1cc(O)cc(F)c1	159805779	TURHQZAJCYKAFY-UHFFFAOYSA-N	225.307	3.153	70	20	BGID	
C[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1	217739346	YPDWQWQBDAGNIT-DGCLKSJQSA-N	217.312	3.451	70	20	BGID	
Cc1cc(C)c([C@@H](C)S(=O)(=O)Cl)c(C)c1	88251569	KZXMHXUBZMJNHK-SNVBAGLBSA-N	246.759	3.241	70	20	BGID	
COc1cccnc1NC[C@H](C)C(C)(C)C	160259479	SICMROACMMAOML-JTQLQIEISA-N	222.332	3.184	70	20	BGID	
COc1ccccc1CNc1ccnc(C)c1	160912885	RAAVKTKGUIRXPP-UHFFFAOYSA-N	228.295	3.011	70	20	BGID	
CC(C)CCS[C@@H](C)C(=O)OC(C)(C)C	217792330	DKEYIGYKCYQGSQ-JTQLQIEISA-N	232.389	3.496	70	20	BGID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1C	159531010	CBZISANGSRNKHL-OCCSQVGLSA-N	231.339	3.304	70	20	BGID	
C[C@H](N[C@@H](C)C1CC1)c1ccnc(Cl)c1	160129857	PIQDXICJOSWLKW-IUCAKERBSA-N	224.735	3.184	70	20	BGID	
CCCc1ccc([C@H](C)S(=O)(=O)Cl)cc1	88251341	WMPBMAOMBJQNSD-VIFPVBQESA-N	246.759	3.269	70	20	BGID	
Cc1cncc(N[C@@H]2CCCc3sccc32)n1	161065221	UZRRWYGKOVWETK-LLVKDONJSA-N	245.351	3.336	70	20	BGID	
CCC[C@H](C(=O)NCCC(C)C)C(C)C	161385166	PJQCUNDEECNLTI-LBPRGKRZSA-N	213.365	3.221	70	20	BGID	
Cc1cccc(CNC2(C)CCC2)c1C	159992682	JSJCPTIYUBRFPM-UHFFFAOYSA-N	203.329	3.336	70	20	BGID	
CCCCCN(C(=O)CO[C@H](C)CC)C(C)C	160019538	AMWGSHLMYDMEOC-CYBMUJFWSA-N	243.391	3.229	70	20	BGID	
CC(C)[C@@H](C)NC[C@H](C)N(C)Cc1ccccc1	160860552	OWTLGCDBEMSAOF-LSDHHAIUSA-N	248.414	3.141	70	20	BGID	
CC(C)[C@@H](C)NC[C@H]1CCc2ccccc21	160967161	KFGRUCYDKGIEAA-TZMCWYRMSA-N	217.356	3.351	70	20	BGID	
Cc1cc(F)ccc1C(=O)NCC1(C2CC2)CC1	159936336	FWDJZQKIQNZQES-UHFFFAOYSA-N	247.313	3.054	70	20	BGID	
CC[C@H](C(=O)NCCC1CC1)c1ccc(F)cc1	160538833	OZOHDJABPBFGAP-AWEZNQCLSA-N	249.329	3.236	70	20	BGID	
CCCNC(=S)NCCCCCCC(C)C	217763707	XUYKGKUBGFFQPY-UHFFFAOYSA-N	244.448	3.467	70	20	BGID	
CCSCCN(C)c1ccccc1F	160019295	VLIUVBIRQHZIAA-UHFFFAOYSA-N	213.321	3.015	70	20	BGID	
Cc1cccc(C(=O)N[C@H](C)C2CCC2)c1F	160201030	ZRKHKYFGAZMADS-SNVBAGLBSA-N	235.302	3.053	70	20	BGID	
CN(Cc1ccccc1)C(=O)N1CCCCCC1	160305007	QONZAFNLUQPBIS-UHFFFAOYSA-N	246.354	3.114	70	20	BGID	
C[C@H](NCc1ccc(Cl)o1)C1CCC1	160183072	HPJSCGOTILEKRT-QMMMGPOBSA-N	213.708	3.211	70	20	BGID	
C[C@H](c1ccco1)N(C(=O)[C@@H]1CC1(C)C)C1CC1	160665891	VDZGSCVWVXUBHC-PWSUYJOCSA-N	247.338	3.378	70	20	BGID	
CCCC[C@@H](CCC)NC(=O)CO[C@@H](C)CC	160939630	YNENLDUGHVFQOJ-QWHCGFSZSA-N	243.391	3.277	70	20	BGID	
CSCC[C@H](C)Nc1nc2ccccc2n1C	161085709	YNTRFKLYKIOCTG-JTQLQIEISA-N	249.383	3.127	70	20	BGID	
CN(Cc1cccc(Cl)c1)Cc1ccn(C)c1	161129960	DGGATKTXNOGTBI-UHFFFAOYSA-N	248.757	3.311	70	20	BGID	
C[C@@H]1CCC[C@H](N[C@H](C)c2cscn2)C1	218235201	AJRKJDPCCWUFJQ-MXWKQRLJSA-N	224.373	3.372	70	20	BGID	
CCC(C)(CC)C(=O)N[C@H](C)C1CCC1	159508532	KRFRNFMCSLUJDJ-SNVBAGLBSA-N	211.349	3.118	70	20	BGID	
CN(CCC1CC1)C(=O)Nc1ccsc1	160076211	GCMPKPCIRNBLCU-UHFFFAOYSA-N	224.329	3.012	70	20	BGID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NC(C)(C)C	160569306	LPFHKBBMXFFAAL-VHSXEESVSA-N	237.368	3.075	70	20	BGID	
CC[C@H](N[C@H](C)COC)c1ccc(F)cc1F	160657104	HIDOWTGUBAIIRZ-RNCFNFMXSA-N	243.297	3.040	70	20	BGID	
CCCCCCC(=O)Nc1cccc(F)n1	160864470	OHPREASHMLZWBL-UHFFFAOYSA-N	224.279	3.130	70	20	BGID	
CC(C)=CCOC(=O)c1ccc(C)c(F)c1	217404439	OXZQZNAHYSAVTF-UHFFFAOYSA-N	222.259	3.257	70	20	BGID	
CC[C@H](Nc1cc(C)n(C)n1)c1ccccc1	159575045	BXDSGEYIAGCGDS-ZDUSSCGKSA-N	229.327	3.292	70	20	BGID	
C[C@@H]1CN(CCC2CCCC2)CCS1	160583195	IRHHWGSFAGXIED-LLVKDONJSA-N	213.390	3.004	70	20	BGID	
COc1ccc(CN(C)Cc2occc2C)cc1	159865889	XNTCMIOSLPOWDE-UHFFFAOYSA-N	245.322	3.229	70	20	BGID	
O=S(=O)(Cl)[C@@H]1CCCCC12CCCC2	306499533	JQQOSIHHHABBSZ-SECBINFHSA-N	236.764	3.058	70	20	BGID	
C[C@H](CC(F)(F)F)N[C@H](C)c1ccco1	160220223	MKLSAPOCTJHENN-HTQZYQBOSA-N	221.222	3.271	70	20	BGID	
C/C=C/CSCCc1c(C)noc1C	160140128	SASHVKZTJHIQNG-SNAWJCMRSA-N	211.330	3.143	70	20	BGID	
Cc1cccc(C(=O)NCc2ccsc2)c1F	161458280	WVZPPOFAWLQRPD-UHFFFAOYSA-N	249.310	3.126	70	20	BGID	
Clc1cc(NC2CC=CC2)nc(C2CC2)n1	218068843	GMFJTDHHJXCQFO-UHFFFAOYSA-N	235.718	3.138	70	20	BGID	
CC[C@@H](C)N[C@H](CC)c1ccc(F)cn1	161304125	LODRCCBCZORBMP-MWLCHTKSSA-N	210.296	3.060	70	20	BGID	
CCc1ccc2nc(-c3ccn(C)c3)[nH]c2c1	160277074	KSGZDEONJFHDMS-UHFFFAOYSA-N	225.295	3.131	70	20	BGID	
CC(=O)c1ccccc1O[C@H]1C=CCCC1	161120112	XCMWWAKHAGYFKW-LBPRGKRZSA-N	216.280	3.377	70	20	BGID	
CC[C@@H]1CCC[C@@H](NC(=O)NC2(C)CCC2)C1	161463934	MSLDTWODPZDTNM-VXGBXAGGSA-N	238.375	3.197	70	20	BGID	
Cc1ccc(CN[C@@H](C)c2cscn2)s1	161156604	JYOIWPBYPMZROH-VIFPVBQESA-N	238.381	3.364	70	20	BGID	
CCC[C@@H](CC)Nc1ncnc(CC)c1F	217994181	QOWKUMDEEKQBBD-SECBINFHSA-N	225.311	3.169	70	20	BGID	
C1=CC[C@H](NC/C=C\c2ccccc2)CC1	217785974	ZKRLSKWHKCNQAZ-XMELGKRDSA-N	213.324	3.398	70	20	BGID	
COc1ccc(CN2CC[C@@H]3CCCC[C@@H]32)cc1	159596432	LPKYMYOFUXJJKI-HOCLYGCPSA-N	245.366	3.460	70	20	BGID	
C[C@H]1CSc2ccccc2N(C(=O)C2CC2)C1	159584896	JEBWIUSOPMUKAG-SNVBAGLBSA-N	247.363	3.171	70	20	BGID	
CN(Cc1csc(C2CC2)n1)Cc1ccco1	161293339	GTOZVZDHCKWJOQ-UHFFFAOYSA-N	248.351	3.246	70	20	BGID	
CCN(Cc1ccccn1)c1ccc(F)cc1	159449122	RVCWSYWJZLDYQN-UHFFFAOYSA-N	230.286	3.247	70	20	BGID	
CSc1ccc(CNC2(C)CCC2)cc1	159999617	OTLSXCYBAVSUGL-UHFFFAOYSA-N	221.369	3.441	70	20	BGID	
Cc1cc(C(=O)N(C(C)C)C2CCC2)oc1C	160627048	IWOLANITINFTPU-UHFFFAOYSA-N	235.327	3.300	70	20	BGID	
CC(C)n1ccnc1CN1CC[C@@H]2CCCC[C@@H]21	160890023	XZPNPJMDGWOOIB-KBPBESRZSA-N	247.386	3.229	70	20	BGID	
CCCCCOC(=O)c1cnccc1Cl	161407956	MHGGIXAGBLJKGY-UHFFFAOYSA-N	227.691	3.082	70	20	BGID	
CCc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1	160519079	VVGHROVNHJRHIF-STQMWFEESA-N	245.366	3.367	70	20	BGID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C1CC=CC1	161217839	JMFGDLQBRWYGMO-OCCSQVGLSA-N	235.371	3.380	70	20	BGID	
c1csc(CNCCCC2CCCC2)n1	218085340	HXSOFNIXNUAEJY-UHFFFAOYSA-N	224.373	3.203	70	20	BGID	
CCc1ncnc(NCC2(CC)CCC2)c1F	218061126	QMLMGSNJBPPCCZ-UHFFFAOYSA-N	237.322	3.170	70	20	BGID	
CCC[C@H]1CCC[C@@H](S(=O)(=O)Cl)CC1	114438859	DBHBDHKVQRMWCX-VHSXEESVSA-N	238.780	3.304	70	20	BGID	
CCCC1(CNC(=O)c2cscc2C)CC1	160783445	VOZAAOLKNWMZJZ-UHFFFAOYSA-N	237.368	3.367	70	20	BGID	
CCC(CC)CNC(=O)N(CC)[C@@H](C)C(C)C	160601213	IQFYFKRZXYFIDC-LBPRGKRZSA-N	242.407	3.499	70	20	BGID	
CCC(CC)CNC(=O)N1C[C@H](C)C[C@@H](C)C1	160592534	OPGVTXPTQBBQOT-VXGBXAGGSA-N	240.391	3.110	70	20	BGID	
CC[C@@H](C(=O)NC1CC=CC1)c1ccc(F)cc1	161098797	CZJUWPDZSMMYRZ-CQSZACIVSA-N	247.313	3.154	70	20	BGID	
CC(C)n1cccc1C(=O)N1C[C@H](C)C[C@@H](C)C1	161325908	YCHNMGAZWHPSTK-CHWSQXEVSA-N	248.370	3.187	70	20	BGID	
CCSCCN(C)[C@@H](C)c1ccco1	159758707	SMTISPPSZMVXLY-JTQLQIEISA-N	213.346	3.026	70	20	BGID	
CCCC[S@@](=O)c1ncc(C(C)(C)C)s1	160486986	JRZNDUDQSYPHPR-HNNXBMFYSA-N	245.413	3.348	70	20	BGID	
CCCC[C@H](CCC)NC(=O)CO[C@@H](C)CC	160939767	YNENLDUGHVFQOJ-STQMWFEESA-N	243.391	3.277	70	20	BGID	
CCC(CC)CN[C@H](C)c1cscn1	161192010	POKCGHUEEUIQSB-SECBINFHSA-N	212.362	3.230	70	20	BGID	
C/C=C/CS[C@@H](C)C(=O)OC(C)(C)C	161331563	ARJZKWDHGUCSOL-UCUJLANTSA-N	216.346	3.026	70	20	BGID	
CCN(CC1CC1)C(=O)C1CCC(C)(C)CC1	160310113	SJDLZYOIWPXVBG-UHFFFAOYSA-N	237.387	3.461	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)NCc1ccc(F)c(C)c1	160398472	JYKAGURRHHJVCB-WFASDCNBSA-N	249.329	3.187	70	20	BGID	
Cc1ccc(OCc2nccs2)cc1C	161117177	ZYPLRDPTDMIHNN-UHFFFAOYSA-N	219.309	3.339	70	20	BGID	
CC[C@H](NC[C@H]1CCc2ccccc21)C1CC1	161001673	RERQRCINVZOQSA-ZBFHGGJFSA-N	229.367	3.495	70	20	BGID	
CCCCCC(=O)Nc1cc(C2CC2)nc(C)n1	159963732	ACQKBRGLDHMZCQ-UHFFFAOYSA-N	247.342	3.181	70	20	BGID	
C[C@@H](CO)SCc1c(F)cccc1Cl	160731748	MLJXHHRACGTRBG-ZETCQYMHSA-N	234.723	3.093	70	20	BGID	
CC[C@@H]1CCN(c2ccc(F)cc2C(C)=O)C1	160292794	PHOLHQWIBLRRJP-LLVKDONJSA-N	235.302	3.265	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1c(C)cc(C)nc1C	160788848	CYKQWAHHRIGVNJ-DOMZBBRYSA-N	246.354	3.382	70	20	BGID	
CCc1ncnc(NCCC(C)(C)C)c1F	217970586	AVSSHOWZKQYGES-UHFFFAOYSA-N	225.311	3.026	70	20	BGID	
C/C=C/CSCCC(=O)N(C)c1ccccc1	160123609	DUQAKEJHSCJHRF-ONEGZZNKSA-N	249.379	3.349	70	20	BGID	
CCC[C@@H](CC)NC(=O)C[C@@H](C)c1ccncc1	160265309	VPOJJKXFCJMQNS-TZMCWYRMSA-N	248.370	3.270	70	20	BGID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)CC1CC1	161228566	DFGIEUIGBOKCPZ-CHWSQXEVSA-N	223.360	3.214	70	20	BGID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cscc1C	159711002	WCFADXDZSSEEDN-JQWIXIFHSA-N	237.368	3.365	70	20	BGID	
CCSc1cccc(-c2nc(C)no2)c1	160865912	WUWZPHBKMMCWBW-UHFFFAOYSA-N	220.297	3.157	70	20	BGID	
CCc1nnc(SCCC(F)=C(F)F)o1	216713676	QODDMWJPGRHZAR-UHFFFAOYSA-N	238.234	3.192	70	20	BGID	
C[C@H](Sc1ccncc1)C(F)(F)F	159934518	ZJAAMYMKZSJGGW-LURJTMIESA-N	207.220	3.125	70	20	BGID	
C[C@H](C(=O)NCC1(C2CC2)CC1)c1ccsc1	160099856	SJMHXJWJBUSVCB-JTQLQIEISA-N	249.379	3.158	70	20	BGID	
CC(C)n1cccc1C(=O)N[C@H]1CCCC[C@@H]1C	161151400	DJHDWPGMYVAZQM-STQMWFEESA-N	248.370	3.378	70	20	BGID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1sccc1C	159529923	UMSONIHSDVBGAI-MNOVXSKESA-N	237.368	3.365	70	20	BGID	
O=C(NC1CCCCC1)c1ccc(CF)cc1	217976303	ICFCTRRTGQVIRC-UHFFFAOYSA-N	235.302	3.219	70	20	BGID	
CC[C@@H](C)N(C)c1nc2cc(F)ccc2o1	160441071	JDFUQNGPUDCVLH-MRVPVSSYSA-N	222.263	3.202	70	20	BGID	
Cc1ncccc1CN(C)Cc1cccc(F)c1	160470427	BKFBZGHFYSNIJX-UHFFFAOYSA-N	244.313	3.161	70	20	BGID	
C[C@H]1CCC[C@H](CNC(=O)NC2CCCC2)C1	218048843	RXYZKRGKZIYJNB-RYUDHWBXSA-N	238.375	3.055	70	20	BGID	
CC1(C)C[C@H](Nc2nc3ccccc3o2)CCO1	160582969	ZTFYRBJQIJPKQU-SNVBAGLBSA-N	246.310	3.197	70	20	BGID	
CCCCC(=O)NCCCSCC(C)C	160769810	PNTCDBJDONQVGM-UHFFFAOYSA-N	231.405	3.072	70	20	BGID	
CSC[C@H](C)NCc1ccc(F)c(Cl)c1	160151862	WMENYWHHBZGJFU-QMMMGPOBSA-N	247.766	3.320	70	20	BGID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)C(C)C	161024364	HGZXBRWQBOIXJN-GHMZBOCLSA-N	237.368	3.027	70	20	BGID	
CC[C@H](SC)c1nc(Cc2ccccc2)no1	161247434	FMYWMLSYNDWBLY-NSHDSACASA-N	248.351	3.475	70	20	BGID	
Cc1cccc(SCC(=O)C2CCC2)c1	161293098	CNLDBOIMXBNDKH-UHFFFAOYSA-N	220.337	3.456	70	20	BGID	
COc1cc(N[C@@H](C)c2ccncc2)ccc1F	159981067	SILDQMLZJYVWLK-JTQLQIEISA-N	246.285	3.402	70	20	BGID	
CS[C@H](C)CC(=O)NC[C@@H]1CCCC[C@@H]1C	161110497	KUSZCFQDDACIDG-TUAOUCFPSA-N	243.416	3.071	70	20	BGID	
CC(C)(C)C(=O)CSCCC(F)(F)F	218267784	JLPKBQPUZSGTMP-UHFFFAOYSA-N	228.279	3.287	70	20	BGID	
CCc1noc(C)c1CNc1cccc(C)c1	159364648	SWNWWQVAUKGXMN-UHFFFAOYSA-N	230.311	3.466	70	20	BGID	
CCCCCCNc1ncnc(CC)c1F	217952919	YIAABHDFCSKMPU-UHFFFAOYSA-N	225.311	3.170	70	20	BGID	
C[C@@H](CNc1nc2ccccc2[nH]1)C1CC1	160548146	ZTEMJXGLHCRNQK-VIFPVBQESA-N	215.300	3.021	70	20	BGID	
Cc1ccccc1C(=O)N1[C@@H](C)CC[C@@H]1C	161402477	GSOJIBKSGLEZCX-RYUDHWBXSA-N	217.312	3.008	70	20	BGID	
C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1	218006760	OWVRNTVJFYDWTO-VXGBXAGGSA-N	249.329	3.382	70	20	BGID	
CS[C@@H]1CC[C@H](N[C@@H](C)c2cscn2)C1	218263419	BHILCPNGQJBOJF-LPEHRKFASA-N	242.413	3.078	70	20	BGID	
CCC(CC)CNC(=O)N1C[C@@H](C)C[C@H](C)C1	160592399	OPGVTXPTQBBQOT-RYUDHWBXSA-N	240.391	3.110	70	20	BGID	
O=C(NCC1(C2CC2)CC1)c1ccc(Cl)cc1	159942128	VGQJPCBWLRNYST-UHFFFAOYSA-N	249.741	3.260	70	20	BGID	
CCC(CC)C(=O)NCCCSCC(C)C	160651154	GMRFZKSJTPHHEL-UHFFFAOYSA-N	245.432	3.318	70	20	BGID	
C1CCC(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1	159523711	WJIKOHNNEJMOMG-ZNMIVQPWSA-N	249.398	3.114	70	20	BGID	
C[C@@H](Nc1cnc2ccccc2n1)C1CCC1	159981823	IXLROOSNBBETKA-SNVBAGLBSA-N	227.311	3.230	70	20	BGID	
c1ccc(-c2ccn(Cc3nccs3)n2)cc1	161337073	NJYKABLNILNUIO-UHFFFAOYSA-N	241.319	3.055	70	20	BGID	
CC(C)N(CCOCC1CC1)c1ccccc1	159522963	RFTJBBKOCPJIFP-UHFFFAOYSA-N	233.355	3.328	70	20	BGID	
Cc1cccc(C)c1COc1ccc(F)nc1	160398952	XLQCELFTAHLPLC-UHFFFAOYSA-N	231.270	3.417	70	20	BGID	
C[C@@H](Nc1ncnc2sccc12)C1CCC1	160027781	LLTBKZPKCWDCPE-MRVPVSSYSA-N	233.340	3.292	70	20	BGID	
CC(C)n1cccc1C(=O)N(C)C1CCCCC1	160609858	IVRAHGJKVJYXOH-UHFFFAOYSA-N	248.370	3.474	70	20	BGID	
O=C(N[C@H]1CCCc2sccc21)C1CC=CC1	159943058	UIDCCRITQJZTEQ-LBPRGKRZSA-N	247.363	3.208	70	20	BGID	
CC(C)c1ccccc1OC(=O)[C@H]1CCCCO1	159756110	FMRFMXOVNPIFHQ-CQSZACIVSA-N	248.322	3.285	70	20	BGID	
CN(C(=O)Nc1cccc(F)c1)c1ccccc1	217310638	CPYYKULKYLSBSZ-UHFFFAOYSA-N	244.269	3.494	70	20	BGID	
C[C@H]1CCC[C@H](C(=O)NCC2(C3CC3)CC2)C1	159686459	NGQSWUJDPIFBBT-RYUDHWBXSA-N	235.371	3.119	70	20	BGID	
CC(C)n1cccc1C(=O)NC1CCCCC1	160619969	AFVQESWFRJDEHK-UHFFFAOYSA-N	234.343	3.132	70	20	BGID	
CS[C@H](C)CC(=O)NC[C@H]1CCC[C@@H](C)C1	160938689	GMYMRMBIWAUHMG-UTUOFQBUSA-N	243.416	3.071	70	20	BGID	
CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(Cl)o1	218104490	MUAXXUOOBDEFMO-HTQZYQBOSA-N	229.707	3.097	70	20	BGID	
CC(C)n1ccnc1CN1CCC[C@@H](C)CC1	160867036	DHSDAZDABTUHMP-CYBMUJFWSA-N	235.375	3.086	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)NCCc1ccccc1C	159838566	QSXVUUDWVAYMHH-ZBFHGGJFSA-N	245.366	3.090	70	20	BGID	
Cc1cccc2c(S(=O)(=O)Cl)csc12	100448171	QAISVXJHXQCRQL-UHFFFAOYSA-N	246.740	3.137	70	20	BGID	
CCc1ccsc1C(=O)O[C@H](C)C1CC1	216868188	POSNQUVQSBOIJU-MRVPVSSYSA-N	224.325	3.266	70	20	BGID	
COc1cc(N[C@H](C)c2cccnc2)ccc1F	159981584	ORPJYDHDZYUFCO-SNVBAGLBSA-N	246.285	3.402	70	20	BGID	
O=C(N[C@@H]1CCCc2sccc21)C1CCCC1	159855523	VIUYTYGJDBPJKP-GFCCVEGCSA-N	249.379	3.432	70	20	BGID	
COc1cc(NCc2ccc(C)nc2)ccc1F	159976841	KFBQSGQBXZFHNI-UHFFFAOYSA-N	246.285	3.150	70	20	BGID	
Cc1ccc(C(=O)CCN2[C@@H](C)CC[C@@H]2C)cc1	160147904	ZPWRJJCUVRSSLL-KBPBESRZSA-N	245.366	3.441	70	20	BGID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC(C)(C)C	160568930	LPFHKBBMXFFAAL-ZJUUUORDSA-N	237.368	3.075	70	20	BGID	
CCCC[C@H](C)N[C@H](CCO)c1ccccc1	161030311	PEXHQGARZIHMFA-DZGCQCFKSA-N	235.371	3.278	70	20	BGID	
CCN(CC)C(=O)c1ccc(C(F)F)cc1	217073461	RRGXJJGGLDVADC-UHFFFAOYSA-N	227.254	3.106	70	20	BGID	
CC[C@@H](C(=O)N(C)C1CCC1)c1ccc(F)cc1	160515987	BTXDWESEIRKXMI-CQSZACIVSA-N	249.329	3.330	70	20	BGID	
Cc1cncc(N[C@H]2CCCc3sccc32)n1	161065328	UZRRWYGKOVWETK-NSHDSACASA-N	245.351	3.336	70	20	BGID	
C[C@@H](CCn1cccn1)Nc1ccccc1Cl	159386655	VFYOZHSUWDNQGE-NSHDSACASA-N	249.745	3.427	70	20	BGID	
CCCC(=O)N(C)c1ccc(OC)c(Cl)c1	159981892	LENQKCYGWOFHFW-UHFFFAOYSA-N	241.718	3.112	70	20	BGID	
CC(C)[C@@H](C)N(C(=O)[C@@H]1CC1(C)C)C1CC1	161015003	JGFQOGIDNHKMSW-PWSUYJOCSA-N	223.360	3.068	70	20	BGID	
Cc1ccccc1[C@@H](C)Nc1cc(C)n(C)n1	159577760	GKZUQUXFRSGQSR-GFCCVEGCSA-N	229.327	3.210	70	20	BGID	
Cc1ccc(CN(C2CCCC2)C2CC2)nc1	160084227	KDYQRVPREMVMAQ-UHFFFAOYSA-N	230.355	3.297	70	20	BGID	
C[C@H](C(=O)NCC1(C2CC2)CC1)c1cccs1	159722829	VOGJHOVCJZNDRI-JTQLQIEISA-N	249.379	3.158	70	20	BGID	
Cc1cccc(C(=O)N(C)[C@@H](C)C(C)C)c1F	161436622	OSEUYEFFAIVMDH-NSHDSACASA-N	237.318	3.251	70	20	BGID	
CC(C)C(C)(C)CNC(=O)NC1CCCCC1	218703596	JTMMINUHFPNHNO-UHFFFAOYSA-N	240.391	3.301	70	20	BGID	
Cc1ccc(CSCCn2ccnc2)cc1C	160170738	ZKAUNPMKLKEESY-UHFFFAOYSA-N	246.379	3.433	70	20	BGID	
C[C@H](CN(C)CCOCC1CC1)c1ccccc1	160383481	FFPDPDMPGXZCKP-CQSZACIVSA-N	247.382	3.149	70	20	BGID	
Cc1csc(-c2cnn(-c3ccccc3)c2)n1	160645553	XAJHJOXSLOVSCC-UHFFFAOYSA-N	241.319	3.304	70	20	BGID	
CCOCCN[C@H](CC)c1ccc(F)cc1F	160778794	BGNDVTCXUDSACY-CYBMUJFWSA-N	243.297	3.042	70	20	BGID	
CC(C)[C@H](C)NC[C@@H](C)COCc1ccccc1	161297938	CPKFRRLAVOFKGC-CABCVRRESA-N	249.398	3.473	70	20	BGID	
CCN(C(=O)[C@H]1C[C@@]1(C)CC)c1ccccc1	159857382	DEHARMIRDYRJOP-UKRRQHHQSA-N	231.339	3.476	70	20	BGID	
CCSCCN(C(C)C)C1CCCC1	160322847	SGBPZHNEUQCNJZ-UHFFFAOYSA-N	215.406	3.393	70	20	BGID	
CC(C)C[C@@H](C)NC(=S)NC1CCCCC1	159574190	WKIAKTBSWRCCCM-LLVKDONJSA-N	242.432	3.218	70	20	BGID	
C[C@@H]1CSc2ccccc2N(C(=O)C2CC2)C1	159585017	JEBWIUSOPMUKAG-JTQLQIEISA-N	247.363	3.171	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)N(C)C1CCC(C)CC1	159998853	FCMOCXZSYXPZBY-UJFKTDLFSA-N	237.387	3.460	70	20	BGID	
CCC(O)(CC)CCCCBr	149369973	KKQFKIHPTRDIHS-UHFFFAOYSA-N	223.154	3.103	70	20	BGID	
CCCCCCNCc1ccncc1C	160598292	BISFESCTBLNLRX-UHFFFAOYSA-N	206.333	3.060	70	20	BGID	
CC(C)C[C@@H]1CCC[C@H](S(=O)(=O)Cl)C1	230791365	QPOQVAQAQFDYPU-UWVGGRQHSA-N	238.780	3.160	70	20	BGID	
Cc1cccc(C)c1C(=O)Nc1cccc(F)n1	160621608	RJJFEROGMMFMBF-UHFFFAOYSA-N	244.269	3.090	70	20	BGID	
C[C@H]1CCC[C@@H](CNc2cncc(Cl)n2)C1	217928160	ZETQGFSOVGHEIO-VHSXEESVSA-N	239.750	3.368	70	20	BGID	
CCCCCCC[C@@H](C)S(=O)(=O)Cl	88251451	RYZGWYPDPNOYQW-SECBINFHSA-N	226.769	3.304	70	20	BGID	
CCSCCN1[C@H](C)CCC[C@H]1C	160542896	ILANRUJRBKZNJP-GHMZBOCLSA-N	201.379	3.002	70	20	BGID	
CC(C)n1ccnc1CN(C)[C@@H](C)c1ccco1	160869149	CZFIHDJNTCAPFX-LBPRGKRZSA-N	247.342	3.250	70	20	BGID	
CC(C)(C)C1=CCN(C(=O)c2ccco2)CC1	160957864	JYLPPEZXUVTXLS-UHFFFAOYSA-N	233.311	3.098	70	20	BGID	
CC(C)(C)[C@@H]1CCCC[C@@H]1S(=O)(=O)Cl	88251633	FKERCIRIVNMVFY-BDAKNGLRSA-N	238.780	3.160	70	20	BGID	
Cc1cccc2c1CC[C@H]2N[C@@H]1CCCSC1	159536401	NMZVOASJNOUKGV-IUODEOHRSA-N	247.407	3.468	70	20	BGID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)C1CCC1	161272113	KMCPGAYMDVMHAQ-AAEUAGOBSA-N	223.360	3.214	70	20	BGID	
C[C@H]1CCCN(Cc2csc(C3CC3)n2)C1	161258341	TWCABEMDODFKFZ-JTQLQIEISA-N	236.384	3.252	70	20	BGID	
Cc1ccc(NC(=O)N(C)[C@H](C)C2(C)CC2)cn1	161424794	KLYGUHLYRKZBLE-LLVKDONJSA-N	247.342	3.042	70	20	BGID	
CCc1ncnc(N[C@H](C)[C@H](C)CC)c1F	217988651	UYSSFLLHUPNYNB-RKDXNWHRSA-N	225.311	3.025	70	20	BGID	
CC(C)(C)C(=O)Nc1cccc(OCCF)c1	160643822	GYUQHZBRVQNWGT-UHFFFAOYSA-N	239.290	3.020	70	20	BGID	
CCC(=CC(=O)Nc1ccnn1C(C)(C)C)CC	160582235	MTQGVETVUZTQHR-UHFFFAOYSA-N	249.358	3.323	70	20	BGID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccnc1	161013991	UMOYZXTZRYWBFA-OCCSQVGLSA-N	246.354	3.122	70	20	BGID	
CCC[C@H](C(=O)N(C)Cc1cccnc1)C(C)C	161059338	PLSSNADYUJKWGW-AWEZNQCLSA-N	248.370	3.112	70	20	BGID	
CC[C@H](C)N[C@H](CC)c1ccc(F)cn1	161304241	LODRCCBCZORBMP-GXSJLCMTSA-N	210.296	3.060	70	20	BGID	
CC/C=C(\C)C(=O)Nc1ccc(O)cc1Cl	218310680	VGERVQHWAAXROX-XBXARRHUSA-N	239.702	3.340	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)N(C)Cc1cccc(F)c1	159477030	OEKQPRFOHUOFAV-UKRRQHHQSA-N	249.329	3.220	70	20	BGID	
CCOC(C)(C)CNc1ccnc2ccccc12	159520042	YVUHSMKHTOWIIX-UHFFFAOYSA-N	244.338	3.462	70	20	BGID	
C[C@@H]1CCN(Cc2ccnc(Cl)c2)C[C@@H]1C	160979046	TYNUEKAJGUJXAI-MNOVXSKESA-N	238.762	3.213	70	20	BGID	
CCC[C@H](C)N(C)C(=O)c1cccc(C)c1F	161456635	GOXSPTCUPRUYIA-NSHDSACASA-N	237.318	3.395	70	20	BGID	
CCc1nnc(COc2cc(C)cc(C)c2C)o1	160626516	DYANFWLPLDPMRA-UHFFFAOYSA-N	246.310	3.136	70	20	BGID	
CC(C)[C@H](C)NC[C@@H]1CCc2ccccc21	160967091	KFGRUCYDKGIEAA-JSGCOSHPSA-N	217.356	3.351	70	20	BGID	
CCCCCCN[C@H](C)c1cscn1	161133691	XLCMJLAMSOMAOD-SNVBAGLBSA-N	212.362	3.374	70	20	BGID	
C[C@H]1CCC[C@@H](C)N1CCCN1CCCCC1	161352739	QQOPJHHOYHFZTK-GASCZTMLSA-N	238.419	3.125	70	20	BGID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)C1CCC1	161272228	KMCPGAYMDVMHAQ-DGCLKSJQSA-N	223.360	3.214	70	20	BGID	
CC(=O)c1cc(F)ccc1N1C[C@@H]2CCC[C@H]2C1	159909458	RTECMPKAPCFPKZ-RYUDHWBXSA-N	247.313	3.265	70	20	BGID	
CC[C@@H](NCC(C)(C)O)c1ccc(Cl)s1	160647492	UKXBBZCZNCDPBW-MRVPVSSYSA-N	247.791	3.213	70	20	BGID	
CC(C)c1ccc([C@@H]2CCCCN2C(N)=O)cc1	160686680	JETRPJRPOXVCPD-AWEZNQCLSA-N	246.354	3.416	70	20	BGID	
Cc1ccc(C)c(CNC2(C)CCC2)c1	160013574	ADJVWEPOKDHVSW-UHFFFAOYSA-N	203.329	3.336	70	20	BGID	
C[C@H](NCCC(C)(C)C)c1cscn1	161168887	QIBQHIIAVKRVRT-VIFPVBQESA-N	212.362	3.230	70	20	BGID	
Cc1cccc([C@@H]2CCCN2CC(F)(F)F)n1	159982294	OHBNGYIOIHXSTC-NSHDSACASA-N	244.260	3.089	70	20	BGID	
CC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1CC	161270579	XCTSOBRIBRGSFD-AVGNSLFASA-N	225.376	3.460	70	20	BGID	
O=C(N[C@@H]1CCCc2sccc21)C1CCC1	160071681	JMPKJBQMBGOIBE-LLVKDONJSA-N	235.352	3.042	70	20	BGID	
CCSCCOc1ccc(C)cc1C	161257927	XANTUVHNZGALPU-UHFFFAOYSA-N	210.342	3.435	70	20	BGID	
CC[C@H]1CCC[C@@H]1NC(=O)c1ccccc1C	159531133	CBZISANGSRNKHL-JSGCOSHPSA-N	231.339	3.304	70	20	BGID	
CC[C@H](C)NCCCCc1nc(C)cs1	160687495	RDHDUPDNZBAKQH-JTQLQIEISA-N	226.389	3.162	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)N(C1CCCC1)C1CC1	160994723	WXNBZKUNFAMCPE-DZGCQCFKSA-N	235.371	3.356	70	20	BGID	
CC[C@@H](C)OCC(=O)Nc1c(C)cc(C)cc1C	160062680	PCBQBXLMJXHLHK-CYBMUJFWSA-N	249.354	3.365	70	20	BGID	
CCC[C@@H](C(=O)N(C)Cc1ccco1)C(C)C	160830870	RQXRYRXNFSDCES-CYBMUJFWSA-N	237.343	3.310	70	20	BGID	
C[C@H]1CC[C@@H](C)N1C(=O)c1ccc2[nH]ccc2c1	161409748	HFIZREBCYSGSMB-PHIMTYICSA-N	242.322	3.181	70	20	BGID	
C[C@H]1CC[C@H](C)N1C(=O)c1ccc2[nH]ccc2c1	161409867	HFIZREBCYSGSMB-QWRGUYRKSA-N	242.322	3.181	70	20	BGID	
CC(C)[C@@H]1CCC[C@@H](S(=O)(=O)Cl)CC1	114438846	LFGKEDHEHHGNGY-NXEZZACHSA-N	238.780	3.160	70	20	BGID	
CS[C@H](C)CC(=O)NC[C@@H]1CCC[C@H](C)C1	160939081	GMYMRMBIWAUHMG-QJPTWQEYSA-N	243.416	3.071	70	20	BGID	
CCc1ncnc(N[C@H]2CCCC2(C)C)c1F	218059891	DMXRFHUQQGBBIB-JTQLQIEISA-N	237.322	3.169	70	20	BGID	
CCc1ccc(C(=O)NCC2(C3CC3)CC2)cc1	159707769	YLENUHFKKDECQX-UHFFFAOYSA-N	243.350	3.169	70	20	BGID	
CCCC1(CNC(=O)C(CC)CC)CC1	160584842	PPMFJNGOVXYQGS-UHFFFAOYSA-N	211.349	3.119	70	20	BGID	
C[C@@H](NC(=O)c1ccco1)C1CCCCCC1	160673423	QBTDFGARVSSOGD-LLVKDONJSA-N	235.327	3.368	70	20	BGID	
Cc1ccc(NC(=O)N2CCC[C@H](C)CC2)cn1	161463261	ZQEOERPYYVUHDJ-NSHDSACASA-N	247.342	3.044	70	20	BGID	
CCCCc1ccc(NC(=O)C(F)F)cc1	217617688	IISBDWBMQDITKT-UHFFFAOYSA-N	227.254	3.233	70	20	BGID	
CC(C)n1cccc1-c1nc(C(C)(C)C)no1	160812602	LABIKJQQNCCKCD-UHFFFAOYSA-N	233.315	3.417	70	20	BGID	
Cc1ccccc1C(=O)N1[C@H](C)CC[C@H]1C	161402586	GSOJIBKSGLEZCX-VXGBXAGGSA-N	217.312	3.008	70	20	BGID	
CC(C)(NC(=O)[C@@H]1CC1(C)C)c1ccccc1	217375811	PSGIKKDJIWDAFP-LBPRGKRZSA-N	231.339	3.084	70	20	BGID	
c1cc([C@H]2CCCN(CCC3CCCC3)C2)[nH]n1	159430615	FJAICAYXUZMYRP-AWEZNQCLSA-N	247.386	3.169	70	20	BGID	
CCc1ncnc(NCc2cccc(C)c2)c1F	217965964	RPAMWFINYWKSQU-UHFFFAOYSA-N	245.301	3.099	70	20	BGID	
CCOc1ccc(NC(=O)[C@@H]2CC2(C)C)c(C)c1	159751656	FLEFRZFFYNSCNY-LBPRGKRZSA-N	247.338	3.378	70	20	BGID	
CC(C)n1ccnc1CN(C)[C@H](C)c1ccco1	160869278	CZFIHDJNTCAPFX-GFCCVEGCSA-N	247.342	3.250	70	20	BGID	
Cc1cccc2c1CC[C@H]2N[C@H]1CCCSC1	159536606	NMZVOASJNOUKGV-SWLSCSKDSA-N	247.407	3.468	70	20	BGID	
CC(C)CSCCCNC(=O)C1(C)CCC1	160684375	KDPDMZCILZIQPA-UHFFFAOYSA-N	243.416	3.072	70	20	BGID	
CS[C@@H]1CC[C@@H](N[C@@H](C)c2cscn2)C1	218263344	BHILCPNGQJBOJF-IVZWLZJFSA-N	242.413	3.078	70	20	BGID	
C[C@@H]1CC[C@H](CC(=O)NCC2(C3CC3)CC2)C1	160091814	RWLNFTKOBIPOEG-NEPJUHHUSA-N	235.371	3.119	70	20	BGID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccncc1	161013617	RDZHQXJBJLFTMF-JSGCOSHPSA-N	246.354	3.122	70	20	BGID	
CCc1ncnc(N[C@@H]2CCCC[C@H]2C)c1F	217955184	NYTIVUMWJAZRAN-MWLCHTKSSA-N	237.322	3.169	70	20	BGID	
C[C@@H]1CCC[C@@H](N[C@H](C)c2cscn2)C1	218235100	AJRKJDPCCWUFJQ-GMTAPVOTSA-N	224.373	3.372	70	20	BGID	
C[C@H](N[C@@H]1CCCC[C@H]1C)c1cscn1	161128841	FTWIMUGUUZMGEZ-OUAUKWLOSA-N	224.373	3.372	70	20	BGID	
c1nc2ccc(NCC3CC3)cc2s1	217525811	SNRGGGUQHSPLPZ-UHFFFAOYSA-N	204.298	3.118	70	20	BGID	
CCCC1(CNC(=O)C[C@@H]2C=CCC2)CC1	160637642	OAOTXWWJPBPTFZ-GFCCVEGCSA-N	221.344	3.039	70	20	BGID	
CC(C)(C)CC(=O)N1CCc2c(F)cccc2C1	160916604	IONYROHPUNHTIX-UHFFFAOYSA-N	249.329	3.147	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1nc(C)c(C)s1	159669050	LQNXKXPFHBPNPJ-SKDRFNHKSA-N	238.356	3.135	70	20	BGID	
Cc1cccc(C(=O)NC(C2CC2)C2CC2)c1F	161429099	KTJUUPDNZDLEGP-UHFFFAOYSA-N	247.313	3.053	70	20	BGID	
CCOc1cc(C)ccc1NC(=O)[C@@H]1CC1(C)C	159464740	WNBMZEUPPDFVAK-NSHDSACASA-N	247.338	3.378	70	20	BGID	
Cc1cc(C)cc(C(=O)N2[C@H](C)CC[C@H]2C)c1	161400724	YBZDVBAWHYWTJM-CHWSQXEVSA-N	231.339	3.316	70	20	BGID	
CS[C@H](C)CC(=O)N1C[C@H](C)c2ccccc21	159448762	IZBWBEUYXZMDJL-WDEREUQCSA-N	249.379	3.278	70	20	BGID	
CCC[C@H](CC)Nc1ncccc1OC	159464366	NVWJTTLMPSEEQR-JTQLQIEISA-N	208.305	3.081	70	20	BGID	
Cc1ccc(SCCc2c(C)noc2C)nc1	160120832	WGMQABZFVPDNIA-UHFFFAOYSA-N	248.351	3.330	70	20	BGID	
CC1(Nc2cc(Cl)nc(C3CC3)n2)CCC1	161057288	DEUWKJGHMNTHMX-UHFFFAOYSA-N	237.734	3.362	70	20	BGID	
COc1ccc(CCSc2ccncc2)cc1	159909827	OIZQJNGFQBPKHB-UHFFFAOYSA-N	245.347	3.425	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)N(C)c1ccccc1	159856129	GPJQDNPTNBJOOD-TZMCWYRMSA-N	217.312	3.086	70	20	BGID	
CSCC[C@H](C)Nc1nc2ccccc2[nH]1	160552353	FYKMLIOZBUMMLW-VIFPVBQESA-N	235.356	3.116	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)N1[C@@H](C)CCC[C@H]1C	160885288	QWEMYEOHKVRMPM-GFQSEFKGSA-N	223.360	3.212	70	20	BGID	
CCc1ccc([C@H](C)NC(=O)NCC(C)C)cc1	217269423	VNNZERHROMOKLQ-LBPRGKRZSA-N	248.370	3.265	70	20	BGID	
C[C@@H](c1ccc(C(C)(C)C)cc1)N(C)C[C@@H](C)O	159536072	WXNFOKJRFFKYGQ-OLZOCXBDSA-N	249.398	3.358	70	20	BGID	
CC(C)CCC1CCN(C(=O)NC(C)C)CC1	160248077	APIRGNUPOSUGIE-UHFFFAOYSA-N	240.391	3.253	70	20	BGID	
CC[C@@H](NC(=O)C1(C)CC1)c1ccc(OC)cc1	159493089	NTUVWZAIRWPLIQ-CYBMUJFWSA-N	247.338	3.063	70	20	BGID	
C[C@H](c1ccco1)N(C(=O)[C@H]1CC1(C)C)C1CC1	160666151	VDZGSCVWVXUBHC-ZYHUDNBSSA-N	247.338	3.378	70	20	BGID	
CC(C)COCCN[C@@H](C)[C@H](C)c1ccccc1	160673177	APLZJPGGPDZWJU-GJZGRUSLSA-N	249.398	3.441	70	20	BGID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccco1	160990733	HESGSSSOUWBANJ-VXGBXAGGSA-N	235.327	3.320	70	20	BGID	
C[C@H](N[C@H]1CCC[C@H](N(C)C)C1)C1CCCC1	161121277	RREYDCZZKHKWQB-QEJZJMRPSA-N	238.419	3.028	70	20	BGID	
COCCS[C@H](C)c1ccccc1C	161266966	YOXOBGWXQLGFIJ-LLVKDONJSA-N	210.342	3.436	70	20	BGID	
COc1cccnc1NC1CCC(C)CC1	159455916	MEFIXOMSVCMULF-UHFFFAOYSA-N	220.316	3.081	70	20	BGID	
CC(C)c1ccc([C@@H](C)S(=O)(=O)Cl)cc1	88251310	PZVAGGCFNGILJX-SECBINFHSA-N	246.759	3.440	70	20	BGID	
CC(C)C1(CNc2ncnc3c2CCCC3)CC1	217813226	NHUIREPDYFFEKE-UHFFFAOYSA-N	245.370	3.204	70	20	BGID	
CCC(CC)NC(=O)c1ccc(C(C)C)nc1	159537029	JPIMPLPQVFZKLF-UHFFFAOYSA-N	234.343	3.123	70	20	BGID	
C[C@H](NC[C@@H](C)C(C)(C)C)c1cscn1	161200471	HEXJURMFDHNPKG-ZJUUUORDSA-N	226.389	3.476	70	20	BGID	
C/C=C/C[S@](=O)c1ncc(C(C)(C)C)s1	160500494	WQJLDUHUEFNQNQ-LLYBFZRZSA-N	243.397	3.124	70	20	BGID	
CC[C@@H](C(=O)NC1CC=CC1)c1ccccc1	160868973	DWCWJWKGOAOVPT-CQSZACIVSA-N	229.323	3.015	70	20	BGID	
Cc1cc(F)cc(N[C@H](C)CCn2cccn2)c1	159404574	LNNBPMDBSVQAGT-GFCCVEGCSA-N	247.317	3.221	70	20	BGID	
CC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C)nc1	161314709	SFTVIKDSMOIWLP-AAEUAGOBSA-N	247.342	3.090	70	20	BGID	
CC[C@@H](C)[C@H](C)NC(=O)c1cccc(C)c1F	161478392	IDEWKWFXPOFVHC-KOLCDFICSA-N	237.318	3.299	70	20	BGID	
CC[C@@H](C)[C@H](C)NC(=O)c1ccc(Cl)o1	218104661	MUAXXUOOBDEFMO-SFYZADRCSA-N	229.707	3.097	70	20	BGID	
CCCN(CCC)Cc1cc(O)cc(F)c1	159815046	GDDLGECVMVATCO-UHFFFAOYSA-N	225.307	3.153	70	20	BGID	
Cc1ccc(OCC(=O)CCC2CCCC2)nc1	160426156	YGEIXFFCOJIBIX-UHFFFAOYSA-N	247.338	3.308	70	20	BGID	
CC[C@H](C)CN(C)C(=O)C[C@H](C)c1ccncc1	160536019	OYARYTJIHCKCFR-STQMWFEESA-N	248.370	3.080	70	20	BGID	
Cc1ccsc1CCCC(=O)N(C)C(C)C	161023698	AWSLBNYVOJWJGP-UHFFFAOYSA-N	239.384	3.246	70	20	BGID	
CC(C)CC(=O)N[C@H]1CCCc2sccc21	160166845	SIQOQHWOVWBLTD-NSHDSACASA-N	237.368	3.288	70	20	BGID	
Cc1ccc(CN(C)Cc2cccnc2C)cc1	160640479	QVIDCVQHMZSEJQ-UHFFFAOYSA-N	240.350	3.330	70	20	BGID	
C[C@@H]1CC[C@@H](NC(=O)NC2(C)CCC2)[C@H](C)C1	161215157	BWOSARMMHCTLID-IJLUTSLNSA-N	238.375	3.053	70	20	BGID	
CCc1ncnc(N[C@@H]2CCC[C@@H](C)C2)c1F	217968431	RUGQTMVLDJPLSH-NXEZZACHSA-N	237.322	3.169	70	20	BGID	
CC1(C)CCN(c2nc(C(C)(C)C)ns2)C1	159746940	DHLYUZDZHURGDS-UHFFFAOYSA-N	239.388	3.072	70	20	BGID	
C[C@H](N[C@H]1CCCC[C@H]1C)c1cscn1	161128606	FTWIMUGUUZMGEZ-VWYCJHECSA-N	224.373	3.372	70	20	BGID	
C[C@H](NCc1ccsc1)c1cscn1	161155886	WJFXMJQZVXQOHL-QMMMGPOBSA-N	224.354	3.055	70	20	BGID	
CCc1noc([C@H](C)N(CC)C[C@@H](C)CC)n1	160523698	SIBSOQFPPIZSHJ-QWRGUYRKSA-N	239.363	3.061	70	20	BGID	
Cc1oc2ccccc2c1CNc1ncccn1	161241032	RXJHQGOEYJDPBM-UHFFFAOYSA-N	239.278	3.143	70	20	BGID	
CC[C@H](Nc1cnn(CC)c1)c1ccc(F)cn1	161317930	FPLCLHQHPAOOLM-LBPRGKRZSA-N	248.305	3.000	70	20	BGID	
CCCC[C@H](NCCC(C)(C)O)C1CCC1	159675852	NEOPKVJYJVURTP-ZDUSSCGKSA-N	227.392	3.096	70	20	BGID	
C[C@@H]1CCC[C@@H](C(=O)NCC2(C3CC3)CC2)C1	159686586	NGQSWUJDPIFBBT-VXGBXAGGSA-N	235.371	3.119	70	20	BGID	
Cc1cc2c(N[C@@H]3CCC(C)(C)C3)nccn2n1	160185267	NEPJOIXYUOABII-LLVKDONJSA-N	244.342	3.028	70	20	BGID	
CC(C)N(Cc1cnc2ccccn12)C1CCC1	160566783	VGHJSWQOSYQMRQ-UHFFFAOYSA-N	243.354	3.097	70	20	BGID	
C[C@H](NCc1cccs1)c1cscn1	161139336	HENADQCIKRPQCC-QMMMGPOBSA-N	224.354	3.055	70	20	BGID	
CC(C)C[C@H]1CCC[C@H](S(=O)(=O)Cl)C1	230791366	QPOQVAQAQFDYPU-ZJUUUORDSA-N	238.780	3.160	70	20	BGID	
CC(C)(C)[C@@H]1CCCC[C@H]1S(=O)(=O)Cl	88251636	FKERCIRIVNMVFY-RKDXNWHRSA-N	238.780	3.160	70	20	BGID	
Cc1cc(C)c(CS[C@H](C)CO)c(C)c1	160740285	CZBYUQZGFKTVFY-GFCCVEGCSA-N	224.369	3.226	70	20	BGID	
C[C@@H](N[C@H]1CCC[C@H](N(C)C)C1)c1ccccc1	161032314	JLOMSGGBYSSRLP-KBMXLJTQSA-N	246.398	3.210	70	20	BGID	
Cc1n[nH]cc1CN(C)Cc1cccc(Cl)c1	161136595	MNQPGGMZHHPJMI-UHFFFAOYSA-N	249.745	3.004	70	20	BGID	
Cc1cccc(C(=O)N2CCC[C@@H]2C(C)C)c1F	161508388	LJOXECUPTARLQG-CYBMUJFWSA-N	249.329	3.395	70	20	BGID	
C[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1	217739265	YPDWQWQBDAGNIT-AAEUAGOBSA-N	217.312	3.451	70	20	BGID	
CC[C@H](C)[C@@H](C)NC(=O)c1ccc(Cl)o1	218104565	MUAXXUOOBDEFMO-JGVFFNPUSA-N	229.707	3.097	70	20	BGID	
CC1=C(C(=O)Nc2ccc(C)cc2F)CCCO1	160622787	CNSXXVXLZAZEKT-UHFFFAOYSA-N	249.285	3.157	70	20	BGID	
CC(=O)c1cc(F)ccc1N1C[C@H]2CCC[C@H]2C1	159909167	RTECMPKAPCFPKZ-TXEJJXNPSA-N	247.313	3.265	70	20	BGID	
CCc1nnc([C@H](C)N(CC)C[C@@H](C)CC)o1	160515682	AQXHFTSMHSRHGL-QWRGUYRKSA-N	239.363	3.061	70	20	BGID	
CC[C@@H](SC)c1nc(CC(C)C)no1	161286605	JTGRNQDYKXIIRU-MRVPVSSYSA-N	214.334	3.082	70	20	BGID	
CCOC(C)(C)CNc1nc2ccccc2o1	159526897	XPNHQFOODTWIAR-UHFFFAOYSA-N	234.299	3.055	70	20	BGID	
CCCCC(=O)N[C@H]1CCCc2sccc21	159954530	DIYXVPBQHCAXNR-NSHDSACASA-N	237.368	3.432	70	20	BGID	
CC(C)C[C@H](C)NC(=S)NC1CCCCC1	159574320	WKIAKTBSWRCCCM-NSHDSACASA-N	242.432	3.218	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)Nc1nc(C)c(C)s1	159669237	LQNXKXPFHBPNPJ-JOYOIKCWSA-N	238.356	3.135	70	20	BGID	
CC[C@H](C)CN(CC)Cc1cnc2ccccn12	160953378	WXFGDKBRYWOZOL-ZDUSSCGKSA-N	245.370	3.202	70	20	BGID	
CSCC[C@@H](C)Nc1nc2ccccc2n1C	161085846	YNTRFKLYKIOCTG-SNVBAGLBSA-N	249.383	3.127	70	20	BGID	
Cc1cccc(C(=O)N2CCCCCC2)c1F	161384239	YGBREJKGYFRGQU-UHFFFAOYSA-N	235.302	3.150	70	20	BGID	
CC(C)c1nsc(N[C@@H](C)C2CCC2)n1	160066480	QJIKHKYYXYLHAH-QMMMGPOBSA-N	225.361	3.262	70	20	BGID	
CCCN(CC1CC1)C(=O)[C@@H]1C[C@]1(C)CC	160829653	WFIPWXODXJRGAR-JSGCOSHPSA-N	223.360	3.071	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1c(C)cc(C)nc1C	160788709	CYKQWAHHRIGVNJ-IUODEOHRSA-N	246.354	3.382	70	20	BGID	
CC[C@H](C)NC[C@@H]1CCc2ccccc21	160986605	ZJPUKJZNJNCZEF-AAEUAGOBSA-N	203.329	3.105	70	20	BGID	
CCCN(C)C(=O)[C@H](CC)c1ccc(F)cc1	159510087	YPXPOOPAMXDIIG-CYBMUJFWSA-N	237.318	3.188	70	20	BGID	
CCCC[C@H](C)Nc1ncccc1OC	159469281	KTACIFPLFYSGRQ-JTQLQIEISA-N	208.305	3.081	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)NCc1cccc(C)c1	160934852	UXIKGMVZCTZBCJ-HIFRSBDPSA-N	231.339	3.047	70	20	BGID	
CCC(C)(CC)C(=O)Nc1ccc(C(C)=O)cn1	159512721	SXCXSSWCNUIGFK-UHFFFAOYSA-N	248.326	3.049	70	20	BGID	
O=C(COc1cccc(Cl)c1)c1ccoc1	159964395	VSEWCCUXMCHIKD-UHFFFAOYSA-N	236.654	3.195	70	20	BGID	
Cc1cc(C)nc(NC[C@@H]2CCC[C@@H](C)C2)n1	217929836	RPVXRTMCDDXDHR-ZWNOBZJWSA-N	233.359	3.332	70	20	BGID	
CC[C@H]1CCN(c2nc(C(C)(C)C)ns2)C1	159927107	BZGNVKMZHWPKFZ-VIFPVBQESA-N	239.388	3.072	70	20	BGID	
Cc1ccc(SCc2ccnn2C)cc1C	161244248	FCZAHMQEYFFHJV-UHFFFAOYSA-N	232.352	3.329	70	20	BGID	
C[C@@H]1CCC[C@@H](CN(C)CCc2ccncc2)C1	161251877	YZMGTJDJOHMLFA-GDBMZVCRSA-N	246.398	3.382	70	20	BGID	
CCC(CC)(CC)CNC(=O)N1CCC[C@H]1C	159687908	JCPFDEDEWQCLSW-GFCCVEGCSA-N	240.391	3.397	70	20	BGID	
CC[C@H](C)N(C)CCCc1cccc(OC)c1	160340779	UKBPLJBFJBOHOB-ZDUSSCGKSA-N	235.371	3.358	70	20	BGID	
Nc1ccnc(-c2cc(Cl)ccc2Cl)n1	161431928	JZDMMWCGAILINJ-UHFFFAOYSA-N	240.093	3.033	70	20	BGID	
O=C(N[C@@H]1CCCc2sccc21)c1ccoc1	160171041	AALYEIWSTLVBGX-LLVKDONJSA-N	247.319	3.149	70	20	BGID	
CC1(C)CCC[C@H](NC(=O)NC2CCCC2)C1	160720488	FFPOVLDCSMVJIA-LBPRGKRZSA-N	238.375	3.197	70	20	BGID	
CCCCC(=O)N[C@H](CC)c1c(C)noc1C	160482204	KMNCCJVUYSUJIL-LLVKDONJSA-N	238.331	3.049	70	20	BGID	
Fc1nc(F)c(F)c(N[C@@H]2C=CCCC2)c1F	160722360	WQUKHIDVEJCAQC-ZCFIWIBFSA-N	246.207	3.159	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)N1CCc2sccc2C1	160512585	PWAIRCUIRWZUND-SMDDNHRTSA-N	249.379	3.069	70	20	BGID	
Cc1cc(C(=O)NC2CC=CC2)c(C)n1C(C)C	161000470	MXFKBQHLHJCLQY-UHFFFAOYSA-N	246.354	3.134	70	20	BGID	
CC[C@H]1CCC[C@H]1NC(=O)c1cscc1C	159711223	WCFADXDZSSEEDN-CMPLNLGQSA-N	237.368	3.365	70	20	BGID	
CCCC1(CNc2ncnc(CC)c2F)CC1	218068734	VQZCJVFZDTYXTM-UHFFFAOYSA-N	237.322	3.170	70	20	BGID	
CC[C@@H](C)N(C)c1nc(C(C)(C)C)ns1	159944984	BKSDCZZTJZWRRN-MRVPVSSYSA-N	227.377	3.070	70	20	BGID	
COCCCc1nc(C(C)(C)C)cs1	159540342	QJNVFNSVJXPTKX-UHFFFAOYSA-N	213.346	3.020	70	20	BGID	
CCc1ccccc1C(=O)N[C@@H](C)[C@H](C)CC	160228612	CNTUHVFDMBQZGG-NEPJUHHUSA-N	233.355	3.413	70	20	BGID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC(C)(C)C	160569063	LPFHKBBMXFFAAL-UWVGGRQHSA-N	237.368	3.075	70	20	BGID	
CC1(C)C[C@@H]1C(=O)N[C@H]1CCCc2sccc21	160009141	YABVXOJKMSVBBC-MNOVXSKESA-N	249.379	3.288	70	20	BGID	
C[C@H]1CCC[C@@H](CNC(=O)N2CCCCC2)C1	218048308	HBPRCGRFDNCTBM-QWHCGFSZSA-N	238.375	3.008	70	20	BGID	
CC1(Nc2nc3ccccc3o2)CCC1	159972818	NTLUYFJFKYTUJY-UHFFFAOYSA-N	202.257	3.182	70	20	BGID	
Cc1ccc(C)c(N[C@@H](C)CCn2cccn2)c1	159385977	LGFBVNCVSASDLU-AWEZNQCLSA-N	243.354	3.391	70	20	BGID	
CSc1ccc(CS[C@H](C)CO)cc1	160777070	WZMNFZXVASEBRZ-SECBINFHSA-N	228.382	3.023	70	20	BGID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H](C)C1CC1	160825379	QHNRYRKGBHSZRR-OUCADQQQSA-N	237.387	3.460	70	20	BGID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)CC1CC1	161228457	DFGIEUIGBOKCPZ-STQMWFEESA-N	223.360	3.214	70	20	BGID	
Cc1ccc(C(=O)N2[C@H]3C=CC[C@H]2CC3)c(C)c1	218736854	ZRROFVJAMHWHCU-KBPBESRZSA-N	241.334	3.237	70	20	BGID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccoc1	161103204	VQUZOOKNEPBIPQ-AAEUAGOBSA-N	235.327	3.320	70	20	BGID	
CCc1ncnc(N[C@H]2CCC[C@@H](C)C2)c1F	217968501	RUGQTMVLDJPLSH-ZJUUUORDSA-N	237.322	3.169	70	20	BGID	
COC(C)(C)CNc1nccc2ccccc12	160620259	VDXCYRIVAUDGPZ-UHFFFAOYSA-N	230.311	3.072	70	20	BGID	
O=C(CCl)N(c1ccccc1)C1CCCC1	145677653	KNCQCVVIGWFLFC-UHFFFAOYSA-N	237.730	3.201	70	20	BGID	
C[C@H]1CCCC[C@@H]1NC(=O)NCC1CCCC1	217570218	APZHLOAWTKXACQ-AAEUAGOBSA-N	238.375	3.055	70	20	BGID	
CC[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](C)O	159536368	YFIDACSFRVKWIY-ZWNOBZJWSA-N	241.762	3.104	70	20	BGID	
CC[C@H](C)CN(C)C(=O)C[C@@H](C)c1ccncc1	160535762	OYARYTJIHCKCFR-QWHCGFSZSA-N	248.370	3.080	70	20	BGID	
C[C@H](N[C@H]1CCC[C@H](N(C)C)C1)c1ccccc1	161032181	JLOMSGGBYSSRLP-BPUTZDHNSA-N	246.398	3.210	70	20	BGID	
CCCC[C@@H](c1ccccc1)S(=O)(=O)Cl	88251524	SDUJBCVKSFROJN-NSHDSACASA-N	246.759	3.487	70	20	BGID	
CCCn1nccc1CNc1cc(C)cc(F)c1	160172600	AFMFLFSQPBTXBC-UHFFFAOYSA-N	247.317	3.353	70	20	BGID	
Cc1cccc(C(=O)N[C@@H](C)C2CCC2)c1F	160200888	ZRKHKYFGAZMADS-JTQLQIEISA-N	235.302	3.053	70	20	BGID	
CC(C)CCC(=O)CSc1ccncc1	159892174	DHJZKNOIPAEFJC-UHFFFAOYSA-N	223.341	3.179	70	20	BGID	
CCSCCN1CC[C@@H]2CCCC[C@@H]21	159971541	FWRLFYBWLOCURG-RYUDHWBXSA-N	213.390	3.004	70	20	BGID	
CCC[C@H](C(=O)N1CCCC[C@@H]1C)C(C)C	161146541	LEVPSEHBPWJBAP-STQMWFEESA-N	225.376	3.460	70	20	BGID	
CC(C)COCCN[C@@H](C)[C@@H](C)c1ccccc1	160672889	APLZJPGGPDZWJU-CABCVRRESA-N	249.398	3.441	70	20	BGID	
C[C@@H]1CCN(c2nc(C(C)(C)C)ns2)[C@@H]1C	159827478	GZTOCMBYUOZXFQ-RKDXNWHRSA-N	239.388	3.070	70	20	BGID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)C(C)C	160937891	VVYZBYLHBBUSQU-VXGBXAGGSA-N	211.349	3.070	70	20	BGID	
COc1cccnc1NCc1sccc1C	159446651	RSPSPSPLRJNCHV-UHFFFAOYSA-N	234.324	3.072	70	20	BGID	
Cc1cccc2c1CCN2CCCOC(C)C	159790251	FHCRFFFJZNVBOL-UHFFFAOYSA-N	233.355	3.173	70	20	BGID	
CC[C@H]1C[C@@H](N[C@H](C)c2ccccc2)CCO1	159802590	AKPYIYDQCMXAKN-SNPRPXQTSA-N	233.355	3.295	70	20	BGID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccco1	160990498	HESGSSSOUWBANJ-NEPJUHHUSA-N	235.327	3.320	70	20	BGID	
CCCC[C@H](CC)CC(=O)NC1CC=CC1	161007044	LCFHAFRXTQBORU-LBPRGKRZSA-N	223.360	3.428	70	20	BGID	
COc1ccc(OCCSCCCF)cc1	161028011	SLEMMOKZLFBDOV-UHFFFAOYSA-N	244.331	3.167	70	20	BGID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C1CCC1	161271995	KMCPGAYMDVMHAQ-YPMHNXCESA-N	223.360	3.214	70	20	BGID	
CCCC[C@@H](CC)CNC(=O)c1cccc(O)c1	218083967	ILKNNNGFDBIKCD-GFCCVEGCSA-N	249.354	3.338	70	20	BGID	
F[B-](F)(F)[C]1C=CC(OC(F)(F)F)=C[CH-]1	2048543704	JBBXGDIBHSNSQI-UHFFFAOYSA-N	228.908	3.142	70	20	BGID	
CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H](C)C2)C1	160322130	XQQJILHWCRENBG-MJBXVCDLSA-N	237.387	3.461	70	20	BGID	
C[C@H](NC[C@H]1CC=CCC1)c1cscn1	161173774	DDQCJEXQYQOIFT-QWRGUYRKSA-N	222.357	3.150	70	20	BGID	
CCCN(CCO)Cc1cc2ccccc2s1	161204541	SMKRZWRSZICLDR-UHFFFAOYSA-N	249.379	3.106	70	20	BGID	
CCc1ncnc(N[C@H]2CCCC[C@H]2C)c1F	217955254	NYTIVUMWJAZRAN-KOLCDFICSA-N	237.322	3.169	70	20	BGID	
CCCCCn1ccc(=O)c2ccccc21	159694905	TTXAOYYRYDZOQS-UHFFFAOYSA-N	215.296	3.192	70	20	BGID	
CSC(C)(C)CNc1nc2ccccc2[nH]1	160555121	XMRLCTFZPUVLJN-UHFFFAOYSA-N	235.356	3.116	70	20	BGID	
c1csc(COc2ccc3c(c2)CCC3)n1	161135723	KDIVZNFVVRONSF-UHFFFAOYSA-N	231.320	3.211	70	20	BGID	
Cc1cccc(C(=O)NCC2CCCC2)c1F	161449030	UTMAYFWDRWJUIM-UHFFFAOYSA-N	235.302	3.054	70	20	BGID	
COc1cccnc1N[C@H](C)CCC(C)C	159466702	HQOPDUHQGWSOSW-LLVKDONJSA-N	222.332	3.327	70	20	BGID	
CC[C@H](C)OCC(=O)Nc1c(C)cc(C)cc1C	160062810	PCBQBXLMJXHLHK-ZDUSSCGKSA-N	249.354	3.365	70	20	BGID	
Cc1ccc(SCc2nnc(C)n2C)cc1C	160974667	MIAJBOIMLGPMBT-UHFFFAOYSA-N	247.367	3.033	70	20	BGID	
C[C@@H]1CCC[C@@H](C)N1CCCN1CCCCC1	161353001	QQOPJHHOYHFZTK-HUUCEWRRSA-N	238.419	3.125	70	20	BGID	
CO[C@@H]1CCCC[C@H]1N[C@@H]1CCC[C@@H](C)C1	218004041	MNNGBCDVRRCJBD-AAVRWANBSA-N	225.376	3.112	70	20	BGID	
C[C@H](N[C@H](C)c1ccnc(Cl)c1)C1CC1	160129985	PIQDXICJOSWLKW-DTWKUNHWSA-N	224.735	3.184	70	20	BGID	
C[C@H](N[C@@H]1CCCC1(C)C)c1cscn1	161219786	KJKVLTOFLQMDKB-GXSJLCMTSA-N	224.373	3.372	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)N(C)c1ccccc1	159856514	GPJQDNPTNBJOOD-JSGCOSHPSA-N	217.312	3.086	70	20	BGID	
CC1(C)CCC[C@H](NC(=O)N2CCCCC2)C1	160721263	QZPICCYQESECJL-LBPRGKRZSA-N	238.375	3.151	70	20	BGID	
CC[C@@H](N[C@@H](C)COC)c1ccc(F)cc1F	160656987	HIDOWTGUBAIIRZ-TVQRCGJNSA-N	243.297	3.040	70	20	BGID	
CC(C)n1cccc1C(=O)N[C@@H]1CCCC[C@H]1C	161151509	DJHDWPGMYVAZQM-CHWSQXEVSA-N	248.370	3.378	70	20	BGID	
FC(F)CNC1CCC2(CCCC2)CC1	161368854	LZPGVBWJZVSCLP-UHFFFAOYSA-N	217.303	3.344	70	20	BGID	
CCN(Cc1cnc2ccccn12)[C@@H](C)C(C)C	160434942	JINRGFZRHNPAHL-ZDUSSCGKSA-N	245.370	3.201	70	20	BGID	
CS[C@H](C)CC(=O)NC[C@H]1CCC[C@H](C)C1	160938826	GMYMRMBIWAUHMG-TUAOUCFPSA-N	243.416	3.071	70	20	BGID	
CC[C@H](C)C(=O)N[C@H]1CCCc2sccc21	160212034	CZTGFYUMSZLDLH-ONGXEEELSA-N	237.368	3.288	70	20	BGID	
Cc1cccc2c1CC[C@@H]2N[C@@H]1CCCSC1	159536291	NMZVOASJNOUKGV-DOMZBBRYSA-N	247.407	3.468	70	20	BGID	
Cc1cnccc1NC(=O)[C@H](C)c1cccs1	159391058	UZNKHQIZQBZPJE-SNVBAGLBSA-N	246.335	3.194	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)N1CCc2sccc2C1	160512471	PWAIRCUIRWZUND-RISCZKNCSA-N	249.379	3.069	70	20	BGID	
COc1ccc(C)cc1[C@H](C)OC(=O)C1CC1	160139141	LXHQMINSMRQTMI-JTQLQIEISA-N	234.295	3.018	70	20	BGID	
CCN(C)C(=O)N1CCC[C@H](C(C)(C)C)CC1	160603998	HPSCEOSERIVSSJ-LBPRGKRZSA-N	240.391	3.206	70	20	BGID	
O=C(NC1CC=CC1)C12CC3CC(CC(C3)C1)C2	160904090	KALOJCXWLQFUKN-UHFFFAOYSA-N	245.366	3.038	70	20	BGID	
C[C@@H](CO)SCCSc1ccc(F)cc1	161191514	YGEJKZZNHTWTDK-VIFPVBQESA-N	246.372	3.032	70	20	BGID	
C[C@@H](Nc1nc2ccccc2n1C)C1CCC1	161092057	OVSBKCXETUQKRG-SNVBAGLBSA-N	229.327	3.174	70	20	BGID	
CC(C)(C)CNCc1cc(F)cc(F)c1	161005593	BRHZURFEOQDLSO-UHFFFAOYSA-N	213.271	3.101	70	20	BGID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)CC(C)C	161273302	JUTDWZPMMOILRG-STQMWFEESA-N	225.376	3.460	70	20	BGID	
CC[C@@H](Nc1ccc(C)nc1)c1ccc(F)cn1	161350722	DKGUJNVVCOYDQB-CYBMUJFWSA-N	245.301	3.487	70	20	BGID	
Cc1cccc(C(=O)NCc2cccs2)c1F	161398333	HBKAVYYZBZPEKJ-UHFFFAOYSA-N	249.310	3.126	70	20	BGID	
CCN(CC(C)C)C(=O)C[C@@H](C)c1ccncc1	159677641	OEQOAHMSLQMCMK-CYBMUJFWSA-N	248.370	3.080	70	20	BGID	
C[C@@H]1CCC[C@H](CNc2cncc(Cl)n2)C1	217928243	ZETQGFSOVGHEIO-ZJUUUORDSA-N	239.750	3.368	70	20	BGID	
CCc1cccc(C)c1NC(=O)CO[C@@H](C)CC	160066433	HIBKWMWQZAOTJD-LBPRGKRZSA-N	249.354	3.311	70	20	BGID	
CC(C)N(CCOCC1CC1)C1CCCC1	160322681	STGJFUUULTYYOO-UHFFFAOYSA-N	225.376	3.066	70	20	BGID	
CCCCN(CC)Cc1nccn1C(C)C	160762590	KDRWCRPTNCOPMM-UHFFFAOYSA-N	223.364	3.086	70	20	BGID	
CCC1CCN(C(=O)c2cccc(C)c2F)CC1	161483459	GYPITQFDTVETEC-UHFFFAOYSA-N	249.329	3.396	70	20	BGID	
CCCn1nccc1CNc1ccccc1CC	159969728	JBUGPUSULFSHRV-UHFFFAOYSA-N	243.354	3.468	70	20	BGID	
CCC(CC)Nc1ncccc1OC(C)C	159461672	AQNZNFQFTFMRKV-UHFFFAOYSA-N	222.332	3.469	70	20	BGID	
CCOCCC1(C(=O)Nc2ccccc2)CCC1	161170910	KHMWHBKQEYTNOS-UHFFFAOYSA-N	247.338	3.222	70	20	BGID	
Cc1ccc(NC(=O)N[C@H]2CCC[C@@H](C)C2)cn1	161491447	QCLVVUGHSYZTCK-PWSUYJOCSA-N	247.342	3.090	70	20	BGID	
C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1	217739175	YPDWQWQBDAGNIT-YPMHNXCESA-N	217.312	3.451	70	20	BGID	
CCc1ncnc(NCCCC(C)C)c1F	217967327	GBTCBGXSAIYAJO-UHFFFAOYSA-N	225.311	3.026	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)NCc1ccccc1C	159841221	VXXZPJGOVKEDKU-UKRRQHHQSA-N	231.339	3.047	70	20	BGID	
COCc1ccccc1CNc1ccnc(C)c1	160917158	CCBOVRKGQHKMCP-UHFFFAOYSA-N	242.322	3.149	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)N(C)C1CCC(C)CC1	159999243	FCMOCXZSYXPZBY-DVTFPSANSA-N	237.387	3.460	70	20	BGID	
Cc1ccsc1CCCC(=O)N(C)C1CC1	161325731	LDCZOXDSBDZQBL-UHFFFAOYSA-N	237.368	3.000	70	20	BGID	
CCO[C@H](C)c1nccn1C[C@H](C)CC	161454320	LAYXFVZXUGDOGE-GHMZBOCLSA-N	210.321	3.027	70	20	BGID	
Cc1ccc(NC(=O)N[C@H]2CCC[C@H](C)C2)cn1	161491203	QCLVVUGHSYZTCK-JQWIXIFHSA-N	247.342	3.090	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)NCc1cccc(C)c1	160935066	UXIKGMVZCTZBCJ-ZFWWWQNUSA-N	231.339	3.047	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1nc(C)c(C)s1	159669341	LQNXKXPFHBPNPJ-CABZTGNLSA-N	238.356	3.135	70	20	BGID	
CCc1ccc([C@@H](C)N[C@H](C)C2CC2)o1	160146952	GDILJZTXFQWROS-NXEZZACHSA-N	207.317	3.291	70	20	BGID	
Cc1ccccc1CN(C)Cc1cncs1	160518029	IHDFJPGPUFQHGX-UHFFFAOYSA-N	232.352	3.084	70	20	BGID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccco1	160990870	HESGSSSOUWBANJ-NWDGAFQWSA-N	235.327	3.320	70	20	BGID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)CC(C)C	161273435	JUTDWZPMMOILRG-CHWSQXEVSA-N	225.376	3.460	70	20	BGID	
Cc1cccc(C(=O)N(C)[C@H](C)C(C)C)c1F	161436759	OSEUYEFFAIVMDH-LLVKDONJSA-N	237.318	3.251	70	20	BGID	
CC(C)OCCN1c2ccccc2CC[C@H]1C	216633559	VICSDLYPSSOPHY-CYBMUJFWSA-N	233.355	3.253	70	20	BGID	
Cc1cccc(C(=O)N(C)CCC(C)C)c1F	161445698	SYBJSNTYQILKIN-UHFFFAOYSA-N	237.318	3.252	70	20	BGID	
CC(C)c1ccc([C@H](C)S(=O)(=O)Cl)cc1	88251312	PZVAGGCFNGILJX-VIFPVBQESA-N	246.759	3.440	70	20	BGID	
CCC(CC)CNC(=O)N(CC)CC(C)C	160556241	DIXKMCZPPMGOBT-UHFFFAOYSA-N	228.380	3.110	70	20	BGID	
CCC[C@@H](C(=O)N(C)Cc1cccnc1)C(C)C	161059448	PLSSNADYUJKWGW-CQSZACIVSA-N	248.370	3.112	70	20	BGID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)CC1CC1	161228699	DFGIEUIGBOKCPZ-QWHCGFSZSA-N	223.360	3.214	70	20	BGID	
CC(C)OCCN1c2ccccc2CC[C@@H]1C	216633514	VICSDLYPSSOPHY-ZDUSSCGKSA-N	233.355	3.253	70	20	BGID	
C[C@H]1CCN(c2nc(C(C)(C)C)ns2)[C@@H]1C	159827635	GZTOCMBYUOZXFQ-DTWKUNHWSA-N	239.388	3.070	70	20	BGID	
CC(C)(C)CCCNC(=O)NC1(C)CCC1	161450751	BZGBNHKITDSBTI-UHFFFAOYSA-N	226.364	3.055	70	20	BGID	
CCCC[C@H](c1ccccc1)S(=O)(=O)Cl	88251525	SDUJBCVKSFROJN-LLVKDONJSA-N	246.759	3.487	70	20	BGID	
CC(C)c1ccc(C(=O)N2CCC[C@H](C)C2)cn1	160925286	GRVBJXFAMHBGHW-LBPRGKRZSA-N	246.354	3.077	70	20	BGID	
C1CCC(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1	159523983	WJIKOHNNEJMOMG-KFWWJZLASA-N	249.398	3.114	70	20	BGID	
CCOCCCSCc1c(CC)noc1C	159811766	JYIRBLFXUPDYKU-UHFFFAOYSA-N	243.372	3.205	70	20	BGID	
CC(C)OCCNc1c(F)cccc1Cl	160380326	OSEFVRGVNXZNAE-UHFFFAOYSA-N	231.698	3.316	70	20	BGID	
CCc1ccccc1C(=O)NCC1(C2CC2)CC1	160159580	CWZXWDUGYZQJLS-UHFFFAOYSA-N	243.350	3.169	70	20	BGID	
CCN(Cc1ccccn1)c1cccc(F)c1	159450896	VFBXXWXYERULMD-UHFFFAOYSA-N	230.286	3.247	70	20	BGID	
CCCCN(CCSCC)CC(F)(F)F	159920833	KMWKKVVAOAXUCG-UHFFFAOYSA-N	243.338	3.404	70	20	BGID	
CCCn1nccc1CNc1cccc(CC)c1	159970582	HTSGCJDKWZTCMG-UHFFFAOYSA-N	243.354	3.468	70	20	BGID	
CCC[C@@H](C(=O)N1CCC(C)CC1)C(C)C	160563154	HFYHDUZAVUUQAJ-CYBMUJFWSA-N	225.376	3.317	70	20	BGID	
O=C(Nc1scnc1-c1ccccc1)C1CC1	161434243	CHEAQUMIQFHRSA-UHFFFAOYSA-N	244.319	3.159	70	20	BGID	
CC(C)c1cccc(NC(=O)[C@@H]2CCCCO2)c1	159989594	FGXQYXUSCLRCAV-AWEZNQCLSA-N	247.338	3.318	70	20	BGID	
C[C@H](NC[C@H](C)C(C)(C)C)c1cscn1	161200333	HEXJURMFDHNPKG-UWVGGRQHSA-N	226.389	3.476	70	20	BGID	
CCCCOCCN1CC[C@@H]2CCCC[C@@H]21	160559186	QKNMVOCLVUWYEI-KBPBESRZSA-N	225.376	3.068	70	20	BGID	
Cc1cccc(OCCNc2ccnc(C)c2)c1	160915726	UJPJVJURDZPJEP-UHFFFAOYSA-N	242.322	3.189	70	20	BGID	
CC(C)OCCNc1nccc2ccccc12	160603759	BHOLGVCUYFMWRE-UHFFFAOYSA-N	230.311	3.072	70	20	BGID	
CCC(C)(C)C1CCC(NC(=O)C(F)F)CC1	218690388	ZRAPXDCSDQYMJX-UHFFFAOYSA-N	247.329	3.363	70	20	BGID	
CCCCCCN[C@@H](C)c1cscn1	161133567	XLCMJLAMSOMAOD-JTQLQIEISA-N	212.362	3.374	70	20	BGID	
C[C@H](N[C@@H]1CCCC[C@@H]1C)c1cscn1	161128973	FTWIMUGUUZMGEZ-GARJFASQSA-N	224.373	3.372	70	20	BGID	
CCC[C@H](CC)NC(=O)C[C@@H](C)c1ccncc1	160265411	VPOJJKXFCJMQNS-OCCSQVGLSA-N	248.370	3.270	70	20	BGID	
CC(C)C[C@@H](c1ccccc1)S(=O)(=O)Cl	88251140	OVPXXIXCFBOWLL-NSHDSACASA-N	246.759	3.342	70	20	BGID	
Cc1cc(NC2(C)CCC2)nc(C(C)C)n1	159971340	JJGZTXAELDZTEP-UHFFFAOYSA-N	219.332	3.263	70	20	BGID	
CCC[C@@H](C)N(C)Cc1cc(O)cc(F)c1	159820516	SDKBWWCSSKAHCL-SNVBAGLBSA-N	225.307	3.152	70	20	BGID	
Cc1ccc(C)c(N[C@H](C)CCn2cccn2)c1	159386117	LGFBVNCVSASDLU-CQSZACIVSA-N	243.354	3.391	70	20	BGID	
Cc1cccc(N(C)C(=O)c2cc(C)c(C)o2)c1	159854585	JFEHAMXAVGZRIF-UHFFFAOYSA-N	243.306	3.481	70	20	BGID	
CCN(Cc1ccc(Cl)cc1)C(=O)C(C)C	217775620	BIBLMUCJVAIGSH-UHFFFAOYSA-N	239.746	3.345	70	20	BGID	
COc1cc(NC(=O)c2ccccc2)ccc1F	160557906	AYLRUEYFJKFPEH-UHFFFAOYSA-N	245.253	3.087	70	20	BGID	
Cc1ccc(NC(=O)NCC2(C)CCCC2)cn1	161464919	XSCMGJBSOIPJTB-UHFFFAOYSA-N	247.342	3.092	70	20	BGID	
C[C@@H](C(=O)NCC1(C2CC2)CC1)c1cccs1	159722960	VOGJHOVCJZNDRI-SNVBAGLBSA-N	249.379	3.158	70	20	BGID	
Cc1ccc(SCc2ccnn2C)cc1	161207443	OPFFJJAIPXYBAH-UHFFFAOYSA-N	218.325	3.021	70	20	BGID	
C[C@H](Nc1nc(C2CC2)ns1)C1CCC1	160055230	MCVKXABYEXILHU-ZETCQYMHSA-N	223.345	3.016	70	20	BGID	
C[C@H](c1ccccc1)N(C)CCCN1CCCC1	161298341	QTEXBKSAKHSPDT-OAHLLOKOSA-N	246.398	3.165	70	20	BGID	
CCOc1ccccc1N(C)Cc1ccncc1	159428189	ONVKWPYMQUPMNC-UHFFFAOYSA-N	242.322	3.117	70	20	BGID	
CCc1cnc(NC(=O)C(C)(CC)CC)s1	159362274	LBMMUFTYUAJORH-UHFFFAOYSA-N	240.372	3.470	70	20	BGID	
COc1cccnc1N[C@H]1CCC[C@@H](C)C1	159455401	QOIJXCIXUNLDEU-MNOVXSKESA-N	220.316	3.081	70	20	BGID	
CCCCCn1ccnc1[C@H](C)OCC	159880422	JYCMLGOTSWTVBS-NSHDSACASA-N	210.321	3.171	70	20	BGID	
Cn1ccc(-c2nc3cc(Cl)ccc3n2C)c1	160266931	JUAXDIIFANNPLB-UHFFFAOYSA-N	245.713	3.232	70	20	BGID	
CC1(NC/C=C/c2ccccc2)CCC1	160000931	DVMIJTQVHCFXDG-WEVVVXLNSA-N	201.313	3.232	70	20	BGID	
CCC(C)(CC)C(=O)N[C@@H](C)C1CCC1	159508402	KRFRNFMCSLUJDJ-JTQLQIEISA-N	211.349	3.118	70	20	BGID	
Cc1noc(C)c1CN1CC[C@@H]2CCCC[C@@H]21	159658313	GIYLHEXKLQMXQO-JSGCOSHPSA-N	234.343	3.056	70	20	BGID	
Cc1cc2c(N[C@H]3CCC(C)(C)C3)nccn2n1	160185406	NEPJOIXYUOABII-NSHDSACASA-N	244.342	3.028	70	20	BGID	
CSCCCOc1ccc2[nH]ccc2c1	160026320	MKVSQDDBJXCDBR-UHFFFAOYSA-N	221.325	3.300	70	20	BGID	
CC(C)OC(=O)O[C@H](C)Sc1ccncc1	160037833	VFGBILIFECXKKQ-VIFPVBQESA-N	241.312	3.081	70	20	BGID	
CC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1CC	161270826	XCTSOBRIBRGSFD-RWMBFGLXSA-N	225.376	3.460	70	20	BGID	
CCCCCNC(=O)NCCc1ccc(C)cc1	217307811	OHJPFHYHXJDEOO-UHFFFAOYSA-N	248.370	3.027	70	20	BGID	
CC[C@H](NCc1ccc(CN(C)C)cc1)C1CC1	160894302	BKNJPXVZUXZIOT-INIZCTEOSA-N	246.398	3.026	70	20	BGID	
CC1CCN(C(=O)c2ccc(C(C)C)nc2)CC1	161009648	DYTYBSADPNRBEV-UHFFFAOYSA-N	246.354	3.077	70	20	BGID	
C[C@@H]1CC=CC[C@@H]1COC(=O)C[C@@H]1C=CCC1	218547462	AOOSXMITAOYSSX-MGPQQGTHSA-N	234.339	3.488	70	20	BGID	
CC[C@H]1CCC[C@@H]1NC(=O)CCCCSC	159583562	WHNRCLLXZLRUBY-RYUDHWBXSA-N	243.416	3.215	70	20	BGID	
CCc1onc(C)c1NC(=O)C(C)(CC)CC	159511375	DFZGBLVVYURJKG-UHFFFAOYSA-N	238.331	3.310	70	20	BGID	
CC[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](C)O	159536264	YFIDACSFRVKWIY-MFKMUULPSA-N	241.762	3.104	70	20	BGID	
COc1cc(N[C@@H](C)c2ccccn2)ccc1F	160052452	NQUJFXAKXJLJCK-JTQLQIEISA-N	246.285	3.402	70	20	BGID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cccnc1	161014312	UMOYZXTZRYWBFA-GXTWGEPZSA-N	246.354	3.122	70	20	BGID	
CCSCCN1CCC[C@@H]1C1CCC1	160455046	KPNJZRKQDJYCCC-GFCCVEGCSA-N	213.390	3.004	70	20	BGID	
CCC(C)(C)C(=O)OCc1nc(C)sc1C	161038804	OMKKSALPVISLCK-UHFFFAOYSA-N	241.356	3.239	70	20	BGID	
Fc1nc(F)c(F)c(N[C@H]2C=CCCC2)c1F	160722245	WQUKHIDVEJCAQC-LURJTMIESA-N	246.207	3.159	70	20	BGID	
C[C@@H](Nc1ncnc2ccsc12)C1CCC1	160067676	WPTZMHJJJQDPCV-MRVPVSSYSA-N	233.340	3.292	70	20	BGID	
CC1(C)C[C@@H](Nc2nccc3occc23)CCO1	160717448	SRDSDENIQYVKQQ-JTQLQIEISA-N	246.310	3.197	70	20	BGID	
Cc1cc2ncn(CC3CCC3)c2cc1C	159541243	WYRDVUKMSFOCHH-UHFFFAOYSA-N	214.312	3.453	70	20	BGID	
CC(C)c1nsc(N[C@H](C)C2CCC2)n1	160066588	QJIKHKYYXYLHAH-MRVPVSSYSA-N	225.361	3.262	70	20	BGID	
Cc1ccc(N[C@H](C)CCn2cccn2)c(C)c1	159362363	BDHLVXXYMSKDOQ-CQSZACIVSA-N	243.354	3.391	70	20	BGID	
Cc1ccc(NC(=O)N2[C@H]3C=CC[C@H]2CC3)cc1	218754487	RHBNWVGJOPREBH-KBPBESRZSA-N	242.322	3.320	70	20	BGID	
Cc1cccc(NC(=O)N2[C@H]3C=CC[C@H]2CC3)c1	218754275	RFVRBXFXQPADGR-KBPBESRZSA-N	242.322	3.320	70	20	BGID	
CCCN(C)C(=O)C1CCC(C)(C)CC1	159547419	RGHSCOIPQKCAJE-UHFFFAOYSA-N	211.349	3.071	70	20	BGID	
c1sc(C2CC2)nc1CN1CCCCCC1	161242496	AZVKTASPWKXCRV-UHFFFAOYSA-N	236.384	3.397	70	20	BGID	
O=C(Cc1cccs1)OCC1CCCCC1	217508495	YNMSXSMAXSTWFZ-UHFFFAOYSA-N	238.352	3.414	70	20	BGID	
Cc1ccc(CN2CCCC[C@@H]2CCO)c(C)c1	159728518	DXDRFTHCSYZVDW-MRXNPFEDSA-N	247.382	3.040	70	20	BGID	
CCCn1nccc1CNc1ccc(F)cc1C	159970312	YNARMOKCQISJDZ-UHFFFAOYSA-N	247.317	3.353	70	20	BGID	
CC[C@H](NC(=O)C1(C)CC1)c1ccc(OC)cc1	159492940	NTUVWZAIRWPLIQ-ZDUSSCGKSA-N	247.338	3.063	70	20	BGID	
O=C(CCC1CCCC1)NCC1(C2CC2)CC1	159723228	WIVBCTCYAKJARH-UHFFFAOYSA-N	235.371	3.263	70	20	BGID	
Cc1cc(NC(=O)[C@@H](C)c2ccsc2)ccn1	159926377	QEFASUHKCGTUQP-JTQLQIEISA-N	246.335	3.194	70	20	BGID	
CC(C)(C)CCCNC(=O)CNc1ccccc1	160537126	IHKFALPTOVLHIA-UHFFFAOYSA-N	248.370	3.041	70	20	BGID	
CC(C)c1cc(N[C@H](C)C2CCC2)ncn1	160055886	OYAXKOWPPFSOLN-SNVBAGLBSA-N	219.332	3.201	70	20	BGID	
COc1ccc(CCNc2ccnc(C)c2)cc1	160911359	YFUUMIRAWGBOJX-UHFFFAOYSA-N	242.322	3.053	70	20	BGID	
C[C@@H](N[C@@H]1CCC[C@H](N(C)C)C1)C1CCCC1	161121144	RREYDCZZKHKWQB-YUELXQCFSA-N	238.419	3.028	70	20	BGID	
CCCCCNC(=O)NCCc1cccc(C)c1	217404909	HFKZJRGOPAFMBY-UHFFFAOYSA-N	248.370	3.027	70	20	BGID	
CC(C)C(=O)N1C[C@@H](C)CSc2ccccc21	159500943	ZNBCNHDLBQKZLJ-LLVKDONJSA-N	249.379	3.417	70	20	BGID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccco1	160990631	HESGSSSOUWBANJ-RYUDHWBXSA-N	235.327	3.320	70	20	BGID	
O=S(=O)(Cl)[C@@H]1CCCCc2ccccc21	88251350	KPLQLPFKBXYHMK-LLVKDONJSA-N	244.743	3.023	70	20	BGID	
Cc1nc(N[C@H](C)C2CCC2)sc1C	160068826	ZAHMWFCZVCSXAZ-MRVPVSSYSA-N	210.346	3.360	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21	160291687	VKSOJIRMOSKWSA-SQWLQELKSA-N	243.350	3.226	70	20	BGID	
C[C@H](CC(=O)NCC1(C2CC2)CC1)C(C)(C)C	159872536	GJDTWWQJXYYHJA-LLVKDONJSA-N	237.387	3.365	70	20	BGID	
CCc1c(C)nn(-c2cccc(OC)c2)c1C	161002272	CIGKVVHSAICHQN-UHFFFAOYSA-N	230.311	3.060	70	20	BGID	
CC1(C)CCC[C@@H](NC(=O)N2CCCCC2)C1	160721401	QZPICCYQESECJL-GFCCVEGCSA-N	238.375	3.151	70	20	BGID	
CC(=O)c1ccccc1O[C@@H]1C=CCCC1	161120213	XCMWWAKHAGYFKW-GFCCVEGCSA-N	216.280	3.377	70	20	BGID	
Cc1ccc(C)c(CSCc2ccnn2C)c1	161375311	QMSQVGIRHKWONB-UHFFFAOYSA-N	246.379	3.470	70	20	BGID	
CCC[C@@H](C(=O)NCCC(C)C)C(C)C	161385251	PJQCUNDEECNLTI-GFCCVEGCSA-N	213.365	3.221	70	20	BGID	
CCc1ccccc1C(=O)N1CCCCCC1	160088032	DCSJBDOTBUUKIN-UHFFFAOYSA-N	231.339	3.265	70	20	BGID	
C[C@H](N[C@@H]1CCC[C@H](N(C)C)C1)C1CCCC1	161121019	RREYDCZZKHKWQB-CFVMTHIKSA-N	238.419	3.028	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)N(C1CCCC1)C1CC1	160994468	WXNBZKUNFAMCPE-UKRRQHHQSA-N	235.371	3.356	70	20	BGID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)CC(C)C	161273556	JUTDWZPMMOILRG-QWHCGFSZSA-N	225.376	3.460	70	20	BGID	
CC[C@@H](C)Cn1nc(C2CC2)nc1C1CC1	161424395	XZIOGZVRUYSHKM-SECBINFHSA-N	219.332	3.079	70	20	BGID	
CCCc1nsc(N[C@H](CC)CSC)n1	217384257	QKDVBIWNCOYWFY-MRVPVSSYSA-N	245.417	3.044	70	20	BGID	
CC(C)CC(CC(C)C)S(=O)(=O)Cl	88251195	PSFORERDFDOBLX-UHFFFAOYSA-N	226.769	3.016	70	20	BGID	
CCCCCn1cc(NC(=O)C(C)(C)C)cn1	159709203	BNWXXIAXGUCXNN-UHFFFAOYSA-N	237.347	3.058	70	20	BGID	
CCCn1nccc1CNc1ccc(F)c(C)c1	160138907	YHRYMOVFHWWPNH-UHFFFAOYSA-N	247.317	3.353	70	20	BGID	
C/C=C/CSCc1c(CC)noc1C	159776078	OMLDGVJUINADHL-GQCTYLIASA-N	211.330	3.355	70	20	BGID	
Cc1cccc([C@H]2CCCN2CC(F)(F)F)n1	159982423	OHBNGYIOIHXSTC-LLVKDONJSA-N	244.260	3.089	70	20	BGID	
C[C@@H](N[C@H](C)C1CC1)c1ccnc(Cl)c1	160130279	PIQDXICJOSWLKW-RKDXNWHRSA-N	224.735	3.184	70	20	BGID	
Cc1ccc(NC(=O)N(C)[C@@H](C)C2(C)CC2)cn1	161424657	KLYGUHLYRKZBLE-NSHDSACASA-N	247.342	3.042	70	20	BGID	
CCCCCOc1cccc(C(=O)NC2CC2)c1	159620186	IPMBHCXKHAPPJQ-UHFFFAOYSA-N	247.338	3.148	70	20	BGID	
Cc1csc(CSc2ccncc2)n1	159913803	HOYANSIQTIJUNL-UHFFFAOYSA-N	222.338	3.139	70	20	BGID	
Cc1ccccc1SCc1ccnn1C	161345573	NOSDOSWCFUWXQL-UHFFFAOYSA-N	218.325	3.021	70	20	BGID	
CCCCCCC[C@H](C)S(=O)(=O)Cl	88251452	RYZGWYPDPNOYQW-VIFPVBQESA-N	226.769	3.304	70	20	BGID	
CCOC(=O)[C@@H]1CCC[C@@H]1c1ccccc1	217753556	FKPBSGFVYRCYDV-CHWSQXEVSA-N	218.296	3.133	70	20	BGID	
CCC[C@@H](C(=O)NCc1ccccc1)C(C)C	160597090	LVFFYUQZSXHTLO-CQSZACIVSA-N	233.355	3.375	70	20	BGID	
CC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1CC	161270479	XCTSOBRIBRGSFD-XQQFMLRXSA-N	225.376	3.460	70	20	BGID	
CCCN(CCC)C(=O)c1ccc(C(C)C)nc1	160768758	MFRMNHFZEGBVAD-UHFFFAOYSA-N	248.370	3.467	70	20	BGID	
CC[C@H](NCC(C)(C)O)c1ccc(Cl)s1	160647401	UKXBBZCZNCDPBW-QMMMGPOBSA-N	247.791	3.213	70	20	BGID	
COC(=O)c1ccc(OC2CCC2)cc1Cl	159506112	RCPKFYASYHKROA-UHFFFAOYSA-N	240.686	3.058	70	20	BGID	
O=C(NCCCF)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	160042199	JIFJKQDFZSRIEP-RWMBFGLXSA-N	241.350	3.069	70	20	BGID	
CC(C)n1ccnc1CN1CCC[C@H](C)CC1	160867157	DHSDAZDABTUHMP-ZDUSSCGKSA-N	235.375	3.086	70	20	BGID	
C1CCC([C@H]2CCCN2CCOCC2CC2)C1	159506026	SPCFMHMFGIFXRW-OAHLLOKOSA-N	237.387	3.068	70	20	BGID	
C[C@@H](CC(=O)NCC1(C2CC2)CC1)C(C)(C)C	159872399	GJDTWWQJXYYHJA-NSHDSACASA-N	237.387	3.365	70	20	BGID	
CCCN(CC1CC1)C(=O)[C@@H]1C[C@@]1(C)CC	160829389	WFIPWXODXJRGAR-GXTWGEPZSA-N	223.360	3.071	70	20	BGID	
CC(C)N(CCSCc1ccon1)C(C)C	160949105	KXZQJHKTTNKWBL-UHFFFAOYSA-N	242.388	3.027	70	20	BGID	
Cc1ccc(F)c(C(=O)Nc2ccccc2O)c1	217402694	WRONLZDOJCASIG-UHFFFAOYSA-N	245.253	3.092	70	20	BGID	
Cc1c(F)cccc1NC(=O)[C@@H]1CC1(C)C	159616401	XMGQJGFWSVJDQB-VIFPVBQESA-N	221.275	3.119	70	20	BGID	
CC[C@H]1CCCN(C(=O)CCCCSC)C1	159722428	LROIHDPPEADOIG-LBPRGKRZSA-N	243.416	3.168	70	20	BGID	
CC(C)c1ccc(CN(C)C(=O)C(F)F)cc1	217597115	JBLBVTQAISAMKQ-UHFFFAOYSA-N	241.281	3.034	70	20	BGID	
CC1(Nc2ncnc3sccc23)CCC1	159975923	SKYPBEDHKJLYQG-UHFFFAOYSA-N	219.313	3.046	70	20	BGID	
CC(C)c1cccc(NC(=O)[C@H]2CCCCO2)c1	159989723	FGXQYXUSCLRCAV-CQSZACIVSA-N	247.338	3.318	70	20	BGID	
C[C@@H](NCc1cccs1)c1cscn1	161139460	HENADQCIKRPQCC-MRVPVSSYSA-N	224.354	3.055	70	20	BGID	
O=C(Nc1ccccc1F)N1[C@H]2C=CC[C@H]1CC2	218755527	TWPWNUFSQUVACQ-QWRGUYRKSA-N	246.285	3.151	70	20	BGID	
CCC(CC)CNC(=O)C[C@H](C)c1ccncc1	160451361	HLHCFGJEOLBAGT-LBPRGKRZSA-N	248.370	3.128	70	20	BGID	
COc1cccc(CCCN(C)[C@H](C)C2CC2)c1	159650227	MFWCPWZNMDFFAB-CYBMUJFWSA-N	247.382	3.358	70	20	BGID	
O=C(COc1ccc(Cl)cc1)CC1CC1	160374640	FSNQWUSXDRGYKK-UHFFFAOYSA-N	224.687	3.088	70	20	BGID	
CCC(CC)NC(=O)c1cccc(C)c1F	161391946	XUIKMESURCHJNT-UHFFFAOYSA-N	223.291	3.053	70	20	BGID	
CCOCCCN(C)[C@H](C)c1ccccc1F	159362692	UWODGFILIHORQN-GFCCVEGCSA-N	239.334	3.245	70	20	BGID	
COC[C@H](NCCC(C)(C)C)c1ccc(C)o1	159672374	YIMNJSWUNIXIGR-LBPRGKRZSA-N	239.359	3.301	70	20	BGID	
CCOc1ccc(N[C@H](C)C2CC2)cc1F	159423805	XMAWUKLWLJACJT-SECBINFHSA-N	223.291	3.435	70	20	BGID	
CC[C@H](CSC)N(C)C(=O)C(C)(CC)CC	159524423	TXPRPWSBVZAGQN-LLVKDONJSA-N	245.432	3.413	70	20	BGID	
CC1(C)C[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1	160251017	KEPXVXXSBXNSPJ-QWHCGFSZSA-N	235.371	3.214	70	20	BGID	
CCCN(CCC)C(=O)[C@@H]1C[C@@]1(C)CC	160886624	PXBVOSXPAGBMMV-WCQYABFASA-N	211.349	3.071	70	20	BGID	
CC(C)n1cccc1C(=O)N[C@@H]1CCCC[C@@H]1C	161151636	DJHDWPGMYVAZQM-QWHCGFSZSA-N	248.370	3.378	70	20	BGID	
C[C@@H]1Cc2ccccc2[C@H]1N[C@@H]1CCCSC1	159564905	QIBGQKCZYIRPLX-KYOSRNDESA-N	247.407	3.405	70	20	BGID	
CC[C@@H]1CCC[C@H]1NC(=O)C[C@H]1C=CCC1	159782716	KLNMQLGDTBFNFJ-YNEHKIRRSA-N	221.344	3.038	70	20	BGID	
Cc1ccc(C(=O)CCN2CC[C@H](C)[C@@H]2C)cc1	160001108	DRVDMIXIRSQHMW-KBPBESRZSA-N	245.366	3.298	70	20	BGID	
CCc1ncnc(N[C@H](C)CC(C)C)c1F	218077298	NQAUQIVMFPJEPO-SECBINFHSA-N	225.311	3.025	70	20	BGID	
Cc1noc(C)c1CSCc1nccs1	161238676	PHORGWDUYRVXMG-UHFFFAOYSA-N	240.353	3.181	70	20	BGID	
CC(C)(C)[C@H]1CCCC[C@@H]1S(=O)(=O)Cl	88251634	FKERCIRIVNMVFY-IUCAKERBSA-N	238.780	3.160	70	20	BGID	
CCCCCOc1cccc(C(=O)N(C)CC)c1	159694344	GTRWVWVIPNZCAL-UHFFFAOYSA-N	249.354	3.348	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)Nc1c(C)cc(C)nc1C	160788980	CYKQWAHHRIGVNJ-SWLSCSKDSA-N	246.354	3.382	70	20	BGID	
CN(Cc1ccn(C)c1)Cc1ccccc1Cl	160818670	BIJVWSLEDQZXTF-UHFFFAOYSA-N	248.757	3.311	70	20	BGID	
CCC[C@@H](C(=O)N1CCCCCC1)C(C)C	160451402	WHABEWZSOCMPSY-CYBMUJFWSA-N	225.376	3.461	70	20	BGID	
CCCCCNC(=O)[C@H](CCC)C(C)C	160471255	SIRQHWOVQQYQLD-GFCCVEGCSA-N	213.365	3.365	70	20	BGID	
CCC[C@@H](C)C(=O)N1CCc2c(F)cccc2C1	161001641	MQMYSQFVSXTPKB-LLVKDONJSA-N	249.329	3.147	70	20	BGID	
CC(C)CCn1nc(C2CC2)nc1C1CC1	161488198	DWAWMJUWVFQSOV-UHFFFAOYSA-N	219.332	3.079	70	20	BGID	
COc1cccnc1N[C@H]1CCCC[C@H]1C	159465320	GHYRKVIHRVMDSW-MNOVXSKESA-N	220.316	3.081	70	20	BGID	
CCC[C@@H](C(=O)N1CCC[C@H](C)C1)C(C)C	160962310	NAQCRHLEKNGOMQ-QWHCGFSZSA-N	225.376	3.317	70	20	BGID	
Cc1cc(NC(=O)[C@@H](C)c2cccs2)ccn1	159925933	MKTKKNYCKCYXJH-JTQLQIEISA-N	246.335	3.194	70	20	BGID	
COc1cc(NC[C@H]2C[C@H]3C=C[C@H]2C3)ccc1F	160137233	BAHLTUVKTNDFFJ-SDDRHHMPSA-N	247.313	3.458	70	20	BGID	
CC[C@H](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C)C1	218002954	XPECEGXXRUWBDB-YNEHKIRRSA-N	240.391	3.253	70	20	BGID	
CCCC[C@@H](CC)CC(=O)NC1CC=CC1	161006917	LCFHAFRXTQBORU-GFCCVEGCSA-N	223.360	3.428	70	20	BGID	
COc1cccnc1N[C@@H](C)CCC(C)C	159466847	HQOPDUHQGWSOSW-NSHDSACASA-N	222.332	3.327	70	20	BGID	
Fc1ccc2oc(N[C@@H]3C=CCCC3)nc2c1	160720998	NHBJRUGLIQYATO-SNVBAGLBSA-N	232.258	3.488	70	20	BGID	
COCCS[C@@H](C)c1ccccc1C	161267084	YOXOBGWXQLGFIJ-NSHDSACASA-N	210.342	3.436	70	20	BGID	
C[C@@H](Sc1ccncc1)C(F)(F)F	159934641	ZJAAMYMKZSJGGW-ZCFIWIBFSA-N	207.220	3.125	70	20	BGID	
CCCCN(C)C(=O)c1cc(F)c(C)cc1F	161028008	RONLIEUNQHZGLY-UHFFFAOYSA-N	241.281	3.145	70	20	BGID	
CCCCCn1nccc1-c1ccncc1	159662928	AMNWYBAABXAREP-UHFFFAOYSA-N	215.300	3.135	70	20	BGID	
CC[C@@H]1CCCC[C@H]1NCCCn1ccnc1C	161412555	NPGCDNCPTIGXKL-HUUCEWRRSA-N	249.402	3.140	70	20	BGID	
COCc1ccc(CNc2cccc(F)c2C)o1	159605603	ZELQYZIWZNKJSH-UHFFFAOYSA-N	249.285	3.486	70	20	BGID	
CN(CCC1CC1)c1nc(C(C)(C)C)ns1	160046328	TUPXHOYGNMJIRH-UHFFFAOYSA-N	239.388	3.072	70	20	BGID	
COc1cc(NCc2ccc(C)cn2)ccc1F	160071018	AUQVXWQEEYMQFK-UHFFFAOYSA-N	246.285	3.150	70	20	BGID	
C[C@H](NC(=O)C(F)(F)F)C1CCCCCC1	160671405	PBHMVDKNDJQSIB-QMMMGPOBSA-N	237.265	3.024	70	20	BGID	
Cc1c(F)cccc1N[C@H](C)CCn1cccn1	159406532	QFECXVANZDNEHA-LLVKDONJSA-N	247.317	3.221	70	20	BGID	
CCCC(CCC)SCc1nnc(C)n1C	161041855	LETIENPVLJOBGH-UHFFFAOYSA-N	241.404	3.326	70	20	BGID	
Cc1ccsc1CN[C@@H](C)c1cscn1	161169133	NUKJPGWHWSEFPG-VIFPVBQESA-N	238.381	3.364	70	20	BGID	
Cc1cc(C)cc(C(=O)N2[C@@H](C)CC[C@H]2C)c1	161400446	YBZDVBAWHYWTJM-BETUJISGSA-N	231.339	3.316	70	20	BGID	
Cc1ccc(CCNC(=O)[C@@H]2CC2(C)C)c(C)c1	161474880	GBEQYWLKKOOMNH-AWEZNQCLSA-N	245.366	3.008	70	20	BGID	
CCC[C@H]1CCCN(C(=O)NC2CCCC2)C1	161431239	YYGFNPJBRHANMY-LBPRGKRZSA-N	238.375	3.151	70	20	BGID	
CCCC(=O)N(C)[C@@H]1CCCC[C@H]1CC	160939785	HHQLXWNXMUFCLS-VXGBXAGGSA-N	211.349	3.214	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)N(C)Cc1ccc(C)cc1	159485626	CPEFLDKKYCSPNB-GOEBONIOSA-N	245.366	3.390	70	20	BGID	
CC1=C(C(=O)NCCC2=CCCCC2)CCCO1	159606151	IOBGEIKTGIHKOT-UHFFFAOYSA-N	249.354	3.078	70	20	BGID	
CC[C@H](C(=O)N(C)C1CCC1)c1ccc(F)cc1	160515881	BTXDWESEIRKXMI-AWEZNQCLSA-N	249.329	3.330	70	20	BGID	
O=C(CSc1ccccc1)C1CCC1	161288923	LOYFRDOGAXQHKV-UHFFFAOYSA-N	206.310	3.148	70	20	BGID	
CC[C@@H](C)OC(=O)c1ccc(Cl)nc1Cl	217922073	YRFFWJPQDOJPKY-ZCFIWIBFSA-N	248.109	3.344	70	20	BGID	
C[C@@H](C(=O)N1CCc2c(Cl)cccc21)C1CC1	161440663	YNUBFRORDHGLQV-SECBINFHSA-N	249.741	3.275	70	20	BGID	
Cc1cccc([C@@H](C)Nc2cc(C)n(C)n2)c1	159576282	PHWWELLAOBUNMN-GFCCVEGCSA-N	229.327	3.210	70	20	BGID	
CSc1ccc(NC(=O)C2=CCCC2)cc1	159731768	UPORGEADOGSKSG-UHFFFAOYSA-N	233.336	3.457	70	20	BGID	
CC1CCC(N(C)C(=O)C2=CCCC2)CC1	159591251	GJGBXJPMDHQRPK-UHFFFAOYSA-N	221.344	3.134	70	20	BGID	
COc1ccc(CN(C)C2CCC2)cc1Cl	159684311	KXPGSUTUVOWLCO-UHFFFAOYSA-N	239.746	3.333	70	20	BGID	
C[C@H](Cc1ccccc1F)Nc1nccs1	160884648	LIBIDSTXYPGDCB-SECBINFHSA-N	236.315	3.325	70	20	BGID	
CC[C@@H]1CCC[C@H](NC(=O)NC2(C)CCC2)C1	161463677	MSLDTWODPZDTNM-NEPJUHHUSA-N	238.375	3.197	70	20	BGID	
COc1cccnc1NC1CCCCCC1	159455247	SKXFTMAHWRZUPI-UHFFFAOYSA-N	220.316	3.225	70	20	BGID	
CC(=O)Nc1ccccc1-c1csc(C)n1	218590779	OPWKFCPBWNTHNW-UHFFFAOYSA-N	232.308	3.077	70	20	BGID	
Cc1cccc([C@H](C)N(C)C[C@@H]2CCC[C@@H]2O)c1	159769464	JUHBWLUVYRPURH-BPUTZDHNSA-N	247.382	3.149	70	20	BGID	
CC[C@@H](C)OCC(=O)N(C)c1cc(C)ccc1C	159912929	DMXFCKVYBVKWKC-CYBMUJFWSA-N	249.354	3.081	70	20	BGID	
COc1cc(NC(C2CC2)C2CC2)ccc1F	159944638	AVKYTHCFWQTNRP-UHFFFAOYSA-N	235.302	3.435	70	20	BGID	
Cc1nc2ccccn2c1CN(C)CC(C)(C)C	159593644	MFKDCNRDUCFYPL-UHFFFAOYSA-N	245.370	3.121	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)NCc1cccc(C)c1	160934959	UXIKGMVZCTZBCJ-DZGCQCFKSA-N	231.339	3.047	70	20	BGID	
CSc1ccc(OCc2nccs2)cc1	161186215	YVJGBXJEMVPEAT-UHFFFAOYSA-N	237.349	3.444	70	20	BGID	
CCC(CC)NC(=O)NC1CCCCCC1	217305001	LPDKSIAOCGVIPV-UHFFFAOYSA-N	226.364	3.197	70	20	BGID	
CC(C)=CCOC(=O)CCc1ccc(F)cc1	217402486	FDRNUNUABVXNTN-UHFFFAOYSA-N	236.286	3.268	70	20	BGID	
CC1(CNc2cc(Cl)nc(C3CC3)n2)CC1	218055637	ZMTJHJDNIIPFDI-UHFFFAOYSA-N	237.734	3.219	70	20	BGID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccnc1	161014118	UMOYZXTZRYWBFA-JSGCOSHPSA-N	246.354	3.122	70	20	BGID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)C1CCC1	161272353	KMCPGAYMDVMHAQ-WCQYABFASA-N	223.360	3.214	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)N(C1CCCC1)C1CC1	160994849	WXNBZKUNFAMCPE-ZFWWWQNUSA-N	235.371	3.356	70	20	BGID	
CCCC(CCC)SCc1nncn1C	161041995	RTWTXOMBDUPRLH-UHFFFAOYSA-N	227.377	3.017	70	20	BGID	
CC[C@H](C)CN(C)Cc1cc(O)cc(F)c1	159818452	XNEMRHXNNQSHAF-JTQLQIEISA-N	225.307	3.009	70	20	BGID	
Cc1ccc(F)cc1N[C@H](C)CCn1cccn1	159390350	KDEOSZSSEDCBFT-GFCCVEGCSA-N	247.317	3.221	70	20	BGID	
CC1(C)C[C@H]1C(=O)N1CCC[C@H]1C1CCCC1	160251165	KEPXVXXSBXNSPJ-STQMWFEESA-N	235.371	3.214	70	20	BGID	
C[C@@H](NC(=S)Nc1ccccc1)C1CCC1	160038420	REKLAIFLCHGVCJ-SNVBAGLBSA-N	234.368	3.162	70	20	BGID	
CCC[C@@H](c1ccccc1)S(=O)(=O)Cl	88251490	BAJGFIAGJGXYIK-JTQLQIEISA-N	232.732	3.096	70	20	BGID	
CC[C@H](CSC)Nc1nc(Cl)cs1	217380443	FJTFEVAJUIMUHL-ZCFIWIBFSA-N	236.793	3.350	70	20	BGID	
Cc1cc(C)cc(C(=O)N2[C@H]3C=CC[C@H]2CC3)c1	218733683	OKCIDNREIMYLOL-GJZGRUSLSA-N	241.334	3.237	70	20	BGID	
Cc1ccccc1[C@@H](C)N(C)CCOCC1CC1	159513288	OLIJZGHFJZIEOA-CQSZACIVSA-N	247.382	3.414	70	20	BGID	
CCc1ccccc1C(=O)N[C@@H](C)[C@@H](C)CC	160228359	CNTUHVFDMBQZGG-RYUDHWBXSA-N	233.355	3.413	70	20	BGID	
C1=CC[C@@H](NC/C=C\c2ccccc2)CC1	217786049	ZKRLSKWHKCNQAZ-YYRKOSNBSA-N	213.324	3.398	70	20	BGID	
CC[C@H]1CCC[C@H]1NC(=O)c1ccccc1C	159531393	CBZISANGSRNKHL-GXTWGEPZSA-N	231.339	3.304	70	20	BGID	
CCN(CC)C(=O)N1CC=C(C(C)(C)C)CC1	160770914	HRDJPHFZZIKFIV-UHFFFAOYSA-N	238.375	3.126	70	20	BGID	
CCCN(CC)C(=O)c1cccc(C)c1F	161445273	JHNMJILCOOHIFO-UHFFFAOYSA-N	223.291	3.006	70	20	BGID	
CC(C)CNC(=O)Nc1c(F)cccc1Cl	217313057	RETREWCMURWRNJ-UHFFFAOYSA-N	244.697	3.257	70	20	BGID	
O=C(N[C@H]1CCCc2sccc21)c1ccoc1	160171170	AALYEIWSTLVBGX-NSHDSACASA-N	247.319	3.149	70	20	BGID	
c1ccc2[nH]c(NCCC3CCC3)nc2c1	160555527	GJHWFCZCDQFLLO-UHFFFAOYSA-N	215.300	3.165	70	20	BGID	
CC(C)C(=O)N[C@@H](C)C1CCCCCC1	160671285	INNFLGAUTNLFJC-NSHDSACASA-N	211.349	3.118	70	20	BGID	
Cc1ccc(C(C)(C)C(=O)NC2CC=CC2)cc1	160810564	GHZAMFVKYQQXNO-UHFFFAOYSA-N	243.350	3.107	70	20	BGID	
CC[C@@H](C)NCC(F)(F)c1ccccc1	161164960	XGVMZUGWIIZSTK-SNVBAGLBSA-N	213.271	3.167	70	20	BGID	
CC(C)CCS[C@H](C)C(=O)OC(C)(C)C	217792406	DKEYIGYKCYQGSQ-SNVBAGLBSA-N	232.389	3.496	70	20	BGID	
O=C(Nc1ccc(F)cc1)N1[C@H]2C=CC[C@H]1CC2	218752265	QHKDFQYOAHWOSC-STQMWFEESA-N	246.285	3.151	70	20	BGID	
Cc1cc(N[C@H](C)c2ccc(F)cc2)nn1C	159572661	YXTPXVLOWGDPNL-SNVBAGLBSA-N	233.290	3.041	70	20	BGID	
CCC[C@H](C(=O)N1CCCCCC1)C(C)C	160451254	WHABEWZSOCMPSY-ZDUSSCGKSA-N	225.376	3.461	70	20	BGID	
CC(C)[C@H](C)CC(=O)N1[C@@H](C)CC[C@H]1C	161490302	ZHROGFSXTVYPJZ-UTUOFQBUSA-N	211.349	3.068	70	20	BGID	
CC[C@H](C)[C@@H](C)NC(=O)c1cccc(C)c1F	161478273	IDEWKWFXPOFVHC-GXSJLCMTSA-N	237.318	3.299	70	20	BGID	
CC(C)NC(=S)Nc1cc(F)cc(Cl)c1	217468430	XQUGHMNQEDRNMO-UHFFFAOYSA-N	246.738	3.174	70	20	BGID	
C[C@@H]1CC=CC[C@H]1COC(=O)C[C@@H]1C=CCC1	218547613	AOOSXMITAOYSSX-MCIONIFRSA-N	234.339	3.488	70	20	BGID	
C[C@@H](NCCCC(F)(F)F)c1cscn1	161217368	XJABVZXGADOQNI-SSDOTTSWSA-N	238.278	3.136	70	20	BGID	
CC[C@H](N[C@@H](C)COC)c1ccc(F)cc1F	160656861	HIDOWTGUBAIIRZ-ZANVPECISA-N	243.297	3.040	70	20	BGID	
Cc1ccc(SCc2ccnn2C)c(C)c1	161245034	YUNRHXPGRHPSSP-UHFFFAOYSA-N	232.352	3.329	70	20	BGID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccccn1	160937232	LDGDMNVPXPAZBL-JSGCOSHPSA-N	246.354	3.122	70	20	BGID	
CCC(CC)NC(=O)Nc1cc(Cl)ccn1	217305036	WNYBJWRNJNYZKD-UHFFFAOYSA-N	241.722	3.045	70	20	BGID	
Cc1ccc(CNC2(C)CCC2)cc1F	160002533	AYOJNDLAODDIAE-UHFFFAOYSA-N	207.292	3.166	70	20	BGID	
C1CCC(Cn2nc(C3CC3)nc2C2CC2)C1	161447482	AQJUZSQSVBRBSM-UHFFFAOYSA-N	231.343	3.223	70	20	BGID	
COCCCCN[C@H]1C[C@H](C)CC[C@@H]1C(C)C	217745226	LTUHQASJVKJVDY-KFWWJZLASA-N	241.419	3.463	70	20	BGID	
CC(C)=CCN1CCC[C@@H]1c1cccc(C)n1	159860044	MDYBIBIAMMVUKF-OAHLLOKOSA-N	230.355	3.493	70	20	BGID	
CC[C@H](SC)c1nc(CC(C)C)no1	161286506	JTGRNQDYKXIIRU-QMMMGPOBSA-N	214.334	3.082	70	20	BGID	
CS[C@H](C)CC(=O)N1C[C@@H](C)c2ccccc21	159448623	IZBWBEUYXZMDJL-GHMZBOCLSA-N	249.379	3.278	70	20	BGID	
CS[C@@H](C)CC(=O)N(C1CC1)[C@@H](C)C(C)C	161036881	MUFAAJDYFJZOGM-QWRGUYRKSA-N	243.416	3.164	70	20	BGID	
CN(C(=O)C1CCC(C)(C)CC1)C1CCC1	160735733	XXVZFVCDAWWDMH-UHFFFAOYSA-N	223.360	3.214	70	20	BGID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)C(C)C	161024118	HGZXBRWQBOIXJN-MNOVXSKESA-N	237.368	3.027	70	20	BGID	
c1cc2sccc2c(NCc2cncs2)n1	159559800	DJBGFXIXRPNTHI-UHFFFAOYSA-N	247.348	3.365	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)N1[C@@H](C)CCC[C@H]1C	160885517	QWEMYEOHKVRMPM-KZVDOYCCSA-N	223.360	3.212	70	20	BGID	
CC[C@@H](CSC)N(C)C(=O)C(C)(CC)CC	159524286	TXPRPWSBVZAGQN-NSHDSACASA-N	245.432	3.413	70	20	BGID	
CCC[C@H](C)CC(=O)NCC1(C2CC2)CC1	159851519	KWDAPPSRDZZDOF-NSHDSACASA-N	223.360	3.119	70	20	BGID	
CCN(CCCc1cccc(OC)c1)C(C)C	159980217	VQMQFLVUAZARES-UHFFFAOYSA-N	235.371	3.358	70	20	BGID	
c1cnn([C@@H]2CCCN(CCC3CCCC3)C2)c1	160251897	STNOBKBSOKFJRT-OAHLLOKOSA-N	247.386	3.100	70	20	BGID	
CCOC(C)(C)CNc1nccc2ccccc12	159544087	BTOWTSVEOSICBG-UHFFFAOYSA-N	244.338	3.462	70	20	BGID	
CC(C)NCc1ccc(SC(F)F)cc1	161246996	KTQAYNGYOVLBPI-UHFFFAOYSA-N	231.311	3.499	70	20	BGID	
COc1cccnc1N[C@@H]1CCCC[C@@H]1C	159465751	GHYRKVIHRVMDSW-WDEREUQCSA-N	220.316	3.081	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1cc(F)cc(F)c1	160280349	OZTLYDZTDJMRLA-DGCLKSJQSA-N	239.265	3.340	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)NCCc1ccccc1C	159838753	QSXVUUDWVAYMHH-HOCLYGCPSA-N	245.366	3.090	70	20	BGID	
Cc1ccc(F)c(C(=O)NCC2(C3CC3)CC2)c1	159993239	FAVSCONEGLGZPP-UHFFFAOYSA-N	247.313	3.054	70	20	BGID	
C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccco1	160219901	MKLSAPOCTJHENN-YUMQZZPRSA-N	221.222	3.271	70	20	BGID	
CC[C@H](C)C(=O)Nc1cccc(OCCF)c1	160608649	VRBAMYUHTSPNLE-JTQLQIEISA-N	239.290	3.020	70	20	BGID	
CS[C@H](C)CC(=O)NC[C@H]1CCCC[C@H]1C	161110139	KUSZCFQDDACIDG-IJLUTSLNSA-N	243.416	3.071	70	20	BGID	
Cc1cc(N[C@H](C)c2ccccc2F)nn1C	159579668	RHUURSAXYPCMNX-SNVBAGLBSA-N	233.290	3.041	70	20	BGID	
CC1(C)CCC(C(=O)Nc2ccncc2)CC1	159924585	XMMRGJWONMIJHV-UHFFFAOYSA-N	232.327	3.237	70	20	BGID	
CC(C)NC1CCN(CCC2CCCC2)CC1	160497630	SQSKTDHDKKNBHY-UHFFFAOYSA-N	238.419	3.029	70	20	BGID	
C[C@@H](CCO)SC/C=C\c1ccccc1	217942118	LSCFFIXTMZUSNK-JECSTDCCSA-N	222.353	3.204	70	20	BGID	
C[C@H]1CC[C@@H](C)N1c1nc(C(C)(C)C)ns1	159951328	FSHIKGKUDPTLKA-DTORHVGOSA-N	239.388	3.213	70	20	BGID	
C[C@H]1CCN(Cc2cccnc2Cl)C[C@@H]1C	160980771	BFZYDIRJHZKEJQ-QWRGUYRKSA-N	238.762	3.213	70	20	BGID	
C[C@H](N[C@H](CCO)c1ccccc1)C1CCCC1	161084116	UHSVWAPUIORQAG-XJKSGUPXSA-N	247.382	3.278	70	20	BGID	
CC1=C(C(=O)Nc2cc(C)ccc2F)CCCO1	160628526	MZKMHWFVTDATES-UHFFFAOYSA-N	249.285	3.157	70	20	BGID	
Cc1ccc(C)c(C(=O)NCC2(C3CC3)CC2)c1	159931445	ONOXXLIHLVAAAT-UHFFFAOYSA-N	243.350	3.223	70	20	BGID	
CCCN(CC1CC1)C(=O)[C@H]1C[C@@]1(C)CC	160829523	WFIPWXODXJRGAR-TZMCWYRMSA-N	223.360	3.071	70	20	BGID	
COCC[C@@H](C)Oc1ccc(Cl)c(F)c1	161028226	OLNCKNRKEDWAME-MRVPVSSYSA-N	232.682	3.283	70	20	BGID	
CCc1ccc(OCC(=O)OC2CCCC2)cc1	218474428	IAHYRGHLMZICIM-UHFFFAOYSA-N	248.322	3.114	70	20	BGID	
CCC(CC)(CC)CNC(=O)N1CCC[C@@H]1C	159687747	JCPFDEDEWQCLSW-LBPRGKRZSA-N	240.391	3.397	70	20	BGID	
C/C=C(/C)C(=O)N[C@H]1CCCc2sccc21	160124671	VLGBUPFGBVVQBW-QSADENFPSA-N	235.352	3.208	70	20	BGID	
CC[C@@H](NCc1cn2c(C)cccc2n1)C(C)C	160323276	HFINGZWFFYFMCU-CQSZACIVSA-N	245.370	3.167	70	20	BGID	
CCC[C@H](C(=O)N(C)Cc1ccco1)C(C)C	160830716	RQXRYRXNFSDCES-ZDUSSCGKSA-N	237.343	3.310	70	20	BGID	
CC(=O)N1CCCC[C@H]1CCCc1ccccc1	161363885	ZORBGQKENBSHON-INIZCTEOSA-N	245.366	3.410	70	20	BGID	
Cc1cccc(C(=O)NCC2(C3CC3)CC2)c1C	160229979	PFHWLGYMOJVRQF-UHFFFAOYSA-N	243.350	3.223	70	20	BGID	
Cc1cc(C(=O)N2CCCCCC2)cc(C)c1F	160453389	HULYOIDVPHGKFW-UHFFFAOYSA-N	249.329	3.459	70	20	BGID	
Cc1ccsc1CN[C@H](C)c1cscn1	161169253	NUKJPGWHWSEFPG-SECBINFHSA-N	238.381	3.364	70	20	BGID	
CC(C)[C@H](C)NCC1(c2ccc(F)cc2)CC1	161354381	QTACGGQMISWJFM-LBPRGKRZSA-N	235.346	3.491	70	20	BGID	
CCN(CC(C)C)C(=O)C[C@H](C)c1ccncc1	159677772	OEQOAHMSLQMCMK-ZDUSSCGKSA-N	248.370	3.080	70	20	BGID	
CC(C)[C@H](C)NC[C@H]1CCc2ccccc21	160967242	KFGRUCYDKGIEAA-GXTWGEPZSA-N	217.356	3.351	70	20	BGID	
CCCN(CC1CC1)C(=O)c1cccc(C)c1F	161396783	PIKMIKADQMUJIT-UHFFFAOYSA-N	249.329	3.396	70	20	BGID	
CC(C)C[C@@H](C)NC(=S)Nc1ccccc1	159573634	VSJIJWQBCJSFLN-LLVKDONJSA-N	236.384	3.408	70	20	BGID	
Cc1cc(C)cc(CNC2(C)CCC2)c1	160000659	RSIXQRMCCASPES-UHFFFAOYSA-N	203.329	3.336	70	20	BGID	
CCC[C@H](C(=O)NCCc1ccco1)C(C)C	160550620	MFRZBCFSDURUPX-ZDUSSCGKSA-N	237.343	3.011	70	20	BGID	
Cc1cc(C(=O)N(C2CCCC2)C2CC2)oc1C	160676605	SNFZQPWCQBBTDF-UHFFFAOYSA-N	247.338	3.444	70	20	BGID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)C1CC=CC1	161218213	JMFGDLQBRWYGMO-GXTWGEPZSA-N	235.371	3.380	70	20	BGID	
CN(CC1CCC1)c1nc(C(C)(C)C)ns1	159428789	HPJAFDHPQNTHSO-UHFFFAOYSA-N	239.388	3.072	70	20	BGID	
C[C@H](Nc1nccc(C(F)(F)F)n1)C1CCC1	159982568	YYLIOYZXTBFLIH-ZETCQYMHSA-N	245.248	3.096	70	20	BGID	
COc1cc(N[C@H](C)c2ccccn2)ccc1F	160052597	NQUJFXAKXJLJCK-SNVBAGLBSA-N	246.285	3.402	70	20	BGID	
C/C=C/C=C/C(=O)N[C@@H]1CCCc2sccc21	160172419	PQONUVZHMKQPGL-LENVYROZSA-N	247.363	3.374	70	20	BGID	
CC(C)n1cccc1C(=O)N1CCCC[C@H]1C	161145719	DTVSSNXMVAQMBG-GFCCVEGCSA-N	234.343	3.084	70	20	BGID	
CCCC[C@@H](SCC(C)C)C(=O)OC	160690680	CIGRDPCIARTTQW-SNVBAGLBSA-N	218.362	3.107	70	20	BGID	
CC1CC(Nc2cc(Cl)nc(C3CC3)n2)C1	161055799	WBZRXGKSBXJCEQ-UHFFFAOYSA-N	237.734	3.218	70	20	BGID	
CC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C)nc1	161314967	SFTVIKDSMOIWLP-WCQYABFASA-N	247.342	3.090	70	20	BGID	
CC[C@H](C)N(C)c1nc(C(C)(C)C)ns1	159945121	BKSDCZZTJZWRRN-QMMMGPOBSA-N	227.377	3.070	70	20	BGID	
CCCCC(=O)N[C@@H](CC)c1c(C)noc1C	160482079	KMNCCJVUYSUJIL-NSHDSACASA-N	238.331	3.049	70	20	BGID	
CC(C)Oc1cccnc1N[C@H](C)C(C)C	159461292	DXACDQUAWMMSHM-LLVKDONJSA-N	222.332	3.325	70	20	BGID	
Cc1cccc([C@H](C)NC(=O)C(C)(C)C)c1	160324249	ZHSOQBQJQIALCF-NSHDSACASA-N	219.328	3.218	70	20	BGID	
C[C@@H]1CCCC[C@H]1NC(=O)NCC1CCCC1	217570311	APZHLOAWTKXACQ-DGCLKSJQSA-N	238.375	3.055	70	20	BGID	
CC[C@@H](CC(=O)NCC1(C2CC2)CC1)C(C)C	160188646	MWFZHTDPXAVKPS-LBPRGKRZSA-N	237.387	3.365	70	20	BGID	
CC(C)(C)CCCn1c(=O)oc2ccccc21	218408154	YQEGROHLBOWNAA-UHFFFAOYSA-N	233.311	3.421	70	20	BGID	
CCOC(=O)C(C)(C)c1csc(C(C)C)n1	159760197	JWXVHGGTLQGHCU-UHFFFAOYSA-N	241.356	3.107	70	20	BGID	
CC[C@@H](CC1CCCC1)C(=O)NC1CC=CC1	160805712	IILLVMGJUIHVCH-ZDUSSCGKSA-N	235.371	3.428	70	20	BGID	
CCc1noc(C)c1CNc1ccc(OC)cc1	159365097	ZOZDETKJNRPCBD-UHFFFAOYSA-N	246.310	3.166	70	20	BGID	
CC(C)n1ccnc1CN(C)c1ccccc1	160672250	UKGURWLGGGQJHT-UHFFFAOYSA-N	229.327	3.100	70	20	BGID	
C[C@@H](NC[C@@]1(C)CCCS1)c1cscn1	161225321	FANIQWNHZARUAJ-MWLCHTKSSA-N	242.413	3.079	70	20	BGID	
O=C(OCC1CCCC1)c1cnccc1Cl	161408385	HSABQVOJICNXEZ-UHFFFAOYSA-N	239.702	3.082	70	20	BGID	
CC(C)C[C@H](C)CC(=O)NCC1(C2CC2)CC1	160034207	VBXMAYKBPKFQHJ-LBPRGKRZSA-N	237.387	3.365	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)N(CC(C)C)C1CC1	161004844	MGXMOLFXYPDZEU-JSGCOSHPSA-N	223.360	3.070	70	20	BGID	
CCCNC1(c2ccccc2)CCCC1	217748549	BUOWDSAFPNAPPC-UHFFFAOYSA-N	203.329	3.456	70	20	BGID	
CCNC(=S)NCCCCCCC(C)C	217763364	LUUYRMXTUYFYMZ-UHFFFAOYSA-N	230.421	3.077	70	20	BGID	
CC[C@@H]1C[C@H]1Nc1cc(Cl)nc(C2CC2)n1	218019555	SWUGWNIZHHWDSM-VXNVDRBHSA-N	237.734	3.218	70	20	BGID	
C[C@@H](Cc1ccccc1F)Nc1nccs1	160884507	LIBIDSTXYPGDCB-VIFPVBQESA-N	236.315	3.325	70	20	BGID	
CCN(C(=O)[C@H]1C[C@]1(C)CC)c1ccccc1	159857502	DEHARMIRDYRJOP-HIFRSBDPSA-N	231.339	3.476	70	20	BGID	
O=C(CCCC1CCCC1)NC1CC=CC1	160924985	VLUZFQDYEZVLAX-UHFFFAOYSA-N	221.344	3.182	70	20	BGID	
CCC(C)(C)NCc1cc(F)cc(F)c1	161466930	RWMVTHOTJVSNFJ-UHFFFAOYSA-N	213.271	3.243	70	20	BGID	
CC(C)[C@H](C)CC(=O)N1[C@@H](C)CC[C@@H]1C	161490393	ZHROGFSXTVYPJZ-WOPDTQHZSA-N	211.349	3.068	70	20	BGID	
CC[C@@H](C)CSCc1nc(C2CC2)no1	161497721	OVYLKXGBNHTNGS-MRVPVSSYSA-N	226.345	3.226	70	20	BGID	
CC[C@H](C)c1ccc(OCc2nnc(C)o2)cc1	217401703	PQEKYOVBPPPTHT-JTQLQIEISA-N	246.310	3.471	70	20	BGID	
Cc1ccc(NC(=O)NC2CCCCCC2)cn1	161300372	PMVJYQCVSKHDKK-UHFFFAOYSA-N	247.342	3.234	70	20	BGID	
COc1cc(NCc2ncccc2C)ccc1F	160285188	GKJKAEVPTYPLID-UHFFFAOYSA-N	246.285	3.150	70	20	BGID	
C[C@H]1CCCN(C(=O)N(C)C2CCCCC2)C1	160296674	GKXXEJUMRNOANC-LBPRGKRZSA-N	238.375	3.103	70	20	BGID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccncc1	161013852	RDZHQXJBJLFTMF-GXTWGEPZSA-N	246.354	3.122	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)NCc1ccc(F)c(C)c1	160398075	JYKAGURRHHJVCB-IUODEOHRSA-N	249.329	3.187	70	20	BGID	
Fc1ccc2oc(N[C@H]3C=CCCC3)nc2c1	160720858	NHBJRUGLIQYATO-JTQLQIEISA-N	232.258	3.488	70	20	BGID	
CC[C@H](NCc1ccccc1)c1ccc(F)cn1	161305971	NYQFWAWXJJKJDP-AWEZNQCLSA-N	244.313	3.462	70	20	BGID	
CC[C@@H](NCc1ccc(OC(C)C)nc1)C1CC1	160100625	IUNCNQXVOIYTAY-CQSZACIVSA-N	248.370	3.147	70	20	BGID	
CCCC[C@@H](CC)C(=O)NC1CC=CC1	160845713	PEZGRPOEPZYSEW-LLVKDONJSA-N	209.333	3.038	70	20	BGID	
C[C@H](c1ccc(F)cc1)N(C)C(=O)C1=CCCC1	160218746	XKVFTLSZQACVSW-LLVKDONJSA-N	247.313	3.455	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)NCc1ccccc1C	159841466	VXXZPJGOVKEDKU-DZGCQCFKSA-N	231.339	3.047	70	20	BGID	
C[C@H](Nc1ncnc2ccsc12)C1CCC1	160067553	WPTZMHJJJQDPCV-QMMMGPOBSA-N	233.340	3.292	70	20	BGID	
CC(C)c1cc(-c2nc(C(C)(C)C)no2)no1	160813714	QWUAQZGUSPSDRM-UHFFFAOYSA-N	235.287	3.146	70	20	BGID	
CCN(CCCN1CCCCC1)C1CCCC1	161276771	ULJWPHHCPXRXEM-UHFFFAOYSA-N	238.419	3.127	70	20	BGID	
CC[C@H]1CCC[C@@H]1NC(=O)c1oc(C)cc1C	159711487	WUJJICYUCXDTQW-RYUDHWBXSA-N	235.327	3.205	70	20	BGID	
C/C=C(/C=C\C(=O)NC1CCCCC1)CC	216799416	VYQCLQKBISDDBG-ILIPMWHGSA-N	221.344	3.348	70	20	BGID	
Cc1cc(C)nc(NC[C@@H]2CCC[C@H](C)C2)n1	217929997	RPVXRTMCDDXDHR-GXFFZTMASA-N	233.359	3.332	70	20	BGID	
CSCCCOc1ccc(F)cc1C	159969161	UMBUNAXQNHSTCG-UHFFFAOYSA-N	214.305	3.266	70	20	BGID	
Cc1cc(C(=O)N2CCC[C@@H](C)C2)cc(C)c1F	160964616	FJQYUZHHCHSQHU-SNVBAGLBSA-N	249.329	3.315	70	20	BGID	
COc1ccc(CN(C)C(C)C)cc1Cl	161240764	PXJDOABAHOWMAO-UHFFFAOYSA-N	227.735	3.189	70	20	BGID	
C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc2[nH]ccc2c1	161410013	HFIZREBCYSGSMB-GHMZBOCLSA-N	242.322	3.181	70	20	BGID	
O=C(NC1CCCCC1)C(F)=C1CCCC1	218172074	BFTNCQLGXUYEHH-UHFFFAOYSA-N	225.307	3.233	70	20	BGID	
Cc1cnccc1NC(=O)[C@@H](C)c1cccs1	159390920	UZNKHQIZQBZPJE-JTQLQIEISA-N	246.335	3.194	70	20	BGID	
C[C@H](C1CC1)N(C)Cc1csc(C2CC2)n1	161462087	DJBYKDKBICXPII-SECBINFHSA-N	236.384	3.251	70	20	BGID	
CCCC(=O)O[C@@H](c1ccccn1)C(F)(F)F	159855071	YYVJPWCLROOREO-JTQLQIEISA-N	247.216	3.028	70	20	BGID	
CCc1ncnc(N[C@@H](C)[C@@H](C)CC)c1F	217988401	UYSSFLLHUPNYNB-IUCAKERBSA-N	225.311	3.025	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)NCc1ccc(C)c(F)c1	160283806	TVTSXAIYYVVVOO-IUODEOHRSA-N	249.329	3.187	70	20	BGID	
CN(CCSc1ccncc1)c1ccccc1	159915584	HSIQHECCVAIRAT-UHFFFAOYSA-N	244.363	3.310	70	20	BGID	
C[C@@H](Nc1ncnc2ccccc12)C1CCC1	159963472	KPJWZGBCIJYSTD-SNVBAGLBSA-N	227.311	3.230	70	20	BGID	
CCOCCCN(C)[C@@H](C)c1ccccc1F	159362554	UWODGFILIHORQN-LBPRGKRZSA-N	239.334	3.245	70	20	BGID	
CC(C)[C@H](C)NC[C@H](C)COCc1ccccc1	161298139	CPKFRRLAVOFKGC-GJZGRUSLSA-N	249.398	3.473	70	20	BGID	
CS[C@H](C)CC(=O)Nc1cccc(F)c1F	161405238	XVSNGESPBGYYQH-SSDOTTSWSA-N	245.294	3.045	70	20	BGID	
Cc1cc(C)nc(NC[C@H]2CCC[C@@H](C)C2)n1	217929926	RPVXRTMCDDXDHR-MFKMUULPSA-N	233.359	3.332	70	20	BGID	
Cc1ccccc1C[C@H](C)NC(=O)[C@@H]1CC1(C)C	159393678	TXPBCAVXIGMFNP-JSGCOSHPSA-N	245.366	3.088	70	20	BGID	
C[C@H]1C[C@@H]1c1ccc(CN[C@H](C)C2CC2)o1	217636394	AHUFOPICRCOIHP-CWSCBRNRSA-N	219.328	3.291	70	20	BGID	
Cc1ccc([C@H](C)NC(=O)NC2(C)CCC2)cc1	159668436	IMVPUUJTYWGGPB-LBPRGKRZSA-N	246.354	3.298	70	20	BGID	
CC(C)n1cccc1C(=O)N1CCCCCC1	160449174	BFLLKBXSEUBLSV-UHFFFAOYSA-N	234.343	3.085	70	20	BGID	
C[C@H](NCCCC(F)(F)F)c1cscn1	161217247	XJABVZXGADOQNI-ZETCQYMHSA-N	238.278	3.136	70	20	BGID	
CCCCN(CC)c1ccc(C(=O)N(C)C)cc1	159575360	MMUCHADVKBGJFC-UHFFFAOYSA-N	248.370	3.015	70	20	BGID	
O=C(N[C@H]1CCCc2sccc21)C1CCCC1	159855626	VIUYTYGJDBPJKP-LBPRGKRZSA-N	249.379	3.432	70	20	BGID	
CCCN(CCC)C(=O)[C@@H]1C[C@]1(C)CC	160886875	PXBVOSXPAGBMMV-AAEUAGOBSA-N	211.349	3.071	70	20	BGID	
C[C@@H]1CCCN(C(=O)N(C)C2CCCCC2)C1	160296555	GKXXEJUMRNOANC-GFCCVEGCSA-N	238.375	3.103	70	20	BGID	
CCC[C@H]1CCC[C@H](S(=O)(=O)Cl)CC1	114438854	DBHBDHKVQRMWCX-UWVGGRQHSA-N	238.780	3.304	70	20	BGID	
C[C@@H]1CC[C@@H](CC(=O)NCC2(C3CC3)CC2)C1	160092064	RWLNFTKOBIPOEG-VXGBXAGGSA-N	235.371	3.119	70	20	BGID	
CC(C)CC1(C(=O)NC2CC=CC2)CCCC1	160763736	MZHAMZLCHWWZHK-UHFFFAOYSA-N	235.371	3.428	70	20	BGID	
c1ccc2c(c1)CC[C@H]2CNC(C1CC1)C1CC1	160966813	ZCRRSVBIOAQURR-HNNXBMFYSA-N	241.378	3.495	70	20	BGID	
Cc1nc(CN2CC[C@@H]3CCCC[C@@H]32)oc1C	159705118	IUUCVSXSSSBDBM-STQMWFEESA-N	234.343	3.056	70	20	BGID	
CC[C@H](C)CNc1ncccc1OC(C)C	159450726	AZPKTYZFVBAMSS-NSHDSACASA-N	222.332	3.327	70	20	BGID	
CC[C@@H](NCCOc1ccccc1C)C1CC1	161361251	QWPRDUZLFXQXCZ-CQSZACIVSA-N	233.355	3.152	70	20	BGID	
CC[C@H](C)[C@H](C)NC(=O)c1cccc(C)c1F	161478512	IDEWKWFXPOFVHC-ONGXEEELSA-N	237.318	3.299	70	20	BGID	
CC(C)Oc1ccc(CN[C@@H](C)C2(C)CC2)cn1	160091152	JHFYHSKHHITUJQ-LBPRGKRZSA-N	248.370	3.147	70	20	BGID	
Cc1ccc(C(=O)N[C@@H](C)C2CCC2)c(F)c1	160198097	RJTMUIADTGVTTK-JTQLQIEISA-N	235.302	3.053	70	20	BGID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)CCSC	160785190	XSPRMCWOIZWMFR-NWDGAFQWSA-N	243.416	3.167	70	20	BGID	
CC(C)Oc1cccnc1N[C@@H](C)C(C)C	159461399	DXACDQUAWMMSHM-NSHDSACASA-N	222.332	3.325	70	20	BGID	
CC[C@H](C)C[C@H](C)NC(=O)N1CCC[C@@H](C)C1	218003110	XPECEGXXRUWBDB-XQQFMLRXSA-N	240.391	3.253	70	20	BGID	
Cc1cccc(C(=O)N(C)[C@@H](C)C2CC2)c1F	161453664	IRMXYVLLVPOYOX-JTQLQIEISA-N	235.302	3.005	70	20	BGID	
CC(C)CCOCCSc1ccncc1	159997656	QPXXMLPAEUYTPF-UHFFFAOYSA-N	225.357	3.236	70	20	BGID	
CC[C@@H](CSC)NC(=O)C(C)(CC)CC	159430993	KKUXJKGKYVSRFC-JTQLQIEISA-N	231.405	3.071	70	20	BGID	
COc1cccnc1NCC1CCCCC1	159447088	CHSHAPQROIFIMP-UHFFFAOYSA-N	220.316	3.082	70	20	BGID	
CC(C)CNCC(F)(F)c1ccccc1	161389846	HODUEXOQDNQGBV-UHFFFAOYSA-N	213.271	3.024	70	20	BGID	
Cc1cccc(C(=O)NC2(C)CCCC2)c1F	161510618	VQBSUIYXDUBRRM-UHFFFAOYSA-N	235.302	3.197	70	20	BGID	
CCc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1	160519205	VVGHROVNHJRHIF-CHWSQXEVSA-N	245.366	3.367	70	20	BGID	
CCCCCOc1ccc(OC)cc1C(C)=O	159578726	VZUNYEQWJFBXCA-UHFFFAOYSA-N	236.311	3.467	70	20	BGID	
CC(C)(C)CCOC(=O)c1cnccc1Cl	161407661	WVZOYRVMOFKYCN-UHFFFAOYSA-N	241.718	3.328	70	20	BGID	
CC[C@@H]1CCC[C@H]1NC(=O)c1ccccc1C	159531258	CBZISANGSRNKHL-TZMCWYRMSA-N	231.339	3.304	70	20	BGID	
Cc1nn(C)cc1CN(C(C)C)C1CCCCC1	159767221	CYFLHVBFYULDJO-UHFFFAOYSA-N	249.402	3.272	70	20	BGID	
CCCC[C@@H](CC)CS[C@H](C)CO	160767311	RUCMEPRKKVRNDV-GHMZBOCLSA-N	204.379	3.317	70	20	BGID	
Cc1n[nH]cc1CN(C)Cc1ccc(Cl)cc1	160814516	FVXIPRKADIGBRP-UHFFFAOYSA-N	249.745	3.004	70	20	BGID	
CC[C@@H](C)NC[C@H]1CCc2ccccc21	160986725	ZJPUKJZNJNCZEF-DGCLKSJQSA-N	203.329	3.105	70	20	BGID	
CCOc1ccccc1OCc1nccs1	161122018	FRMSGZWYCPENTP-UHFFFAOYSA-N	235.308	3.121	70	20	BGID	
CCCCCOc1ccc(OC)c(OC)c1	159832143	UPSOIZBWVCOYFD-UHFFFAOYSA-N	224.300	3.273	70	20	BGID	
CC(C)C(=O)Nc1scnc1-c1ccccc1	161411676	PZRASHBQQBNDOV-UHFFFAOYSA-N	246.335	3.405	70	20	BGID	
CC(C)c1ccc(NC(=O)C(F)F)cc1	217618654	CNFIPIDWBSFIQO-UHFFFAOYSA-N	213.227	3.014	70	20	BGID	
CC[C@H](CC(=O)NCC1(C2CC2)CC1)C(C)C	160188786	MWFZHTDPXAVKPS-GFCCVEGCSA-N	237.387	3.365	70	20	BGID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCSC	160785060	XSPRMCWOIZWMFR-VXGBXAGGSA-N	243.416	3.167	70	20	BGID	
CCCCN(C)C(=O)c1ccc(C(C)C)nc1	160944936	ZDIGKKHLJBDNSY-UHFFFAOYSA-N	234.343	3.077	70	20	BGID	
Cc1nnc(NC2CCC(C(C)C)CC2)s1	217816898	DTVNLMPNUJYKPC-UHFFFAOYSA-N	239.388	3.473	70	20	BGID	
CC[C@@H](C)C(=O)N[C@H]1CCCc2sccc21	160211899	CZTGFYUMSZLDLH-KOLCDFICSA-N	237.368	3.288	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)N1CCc2sccc2C1	160512714	PWAIRCUIRWZUND-FZMZJTMJSA-N	249.379	3.069	70	20	BGID	
CCN(Cc1nccn1CC)C1CCCCC1	160762286	ODYUDJAOYYVUJQ-UHFFFAOYSA-N	235.375	3.058	70	20	BGID	
Cc1cc(C(=O)N2CCCC[C@@H]2C)cc(C)c1F	161148380	AZHUILDUDLLKJW-LBPRGKRZSA-N	249.329	3.457	70	20	BGID	
Cc1cc(C)cc(C(=O)N2[C@@H](C)CC[C@@H]2C)c1	161400573	YBZDVBAWHYWTJM-STQMWFEESA-N	231.339	3.316	70	20	BGID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H](C)SC	161168586	QUJOETKPRWFGGK-UTUOFQBUSA-N	243.416	3.165	70	20	BGID	
CCC(CC)CNC(=O)N1CCCC[C@H]1CC	160592001	URTPBHVEKFKUHQ-CYBMUJFWSA-N	240.391	3.397	70	20	BGID	
CC[C@H](NCc1cn2c(C)cccc2n1)C(C)C	160323185	HFINGZWFFYFMCU-AWEZNQCLSA-N	245.370	3.167	70	20	BGID	
Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](C)C2)cn1	161491093	QCLVVUGHSYZTCK-CMPLNLGQSA-N	247.342	3.090	70	20	BGID	
C[C@H]1CC[C@H](CC(=O)NCC2(C3CC3)CC2)C1	160091932	RWLNFTKOBIPOEG-RYUDHWBXSA-N	235.371	3.119	70	20	BGID	
COc1cc(NC[C@@H]2C[C@H]3C=C[C@H]2C3)ccc1F	160137113	BAHLTUVKTNDFFJ-SRVKXCTJSA-N	247.313	3.458	70	20	BGID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccoc1	161103326	VQUZOOKNEPBIPQ-DGCLKSJQSA-N	235.327	3.320	70	20	BGID	
CC(C)N(Cc1csnn1)C1CCCCC1	159771317	PGHKSOQIVCHSOI-UHFFFAOYSA-N	239.388	3.081	70	20	BGID	
CCC(CC)CNC(=O)N(CC)C1CCCC1	160555669	JAYPXHILPLHSON-UHFFFAOYSA-N	240.391	3.397	70	20	BGID	
CC1(C(=O)Nc2cc(C(C)(C)C)ccc2O)CC1	160942926	XRZVYEROLJLMPT-UHFFFAOYSA-N	247.338	3.428	70	20	BGID	
CC(C)c1ccc(SCc2nncn2C)cc1	161022323	FCWLSRGTRZXKKG-UHFFFAOYSA-N	247.367	3.231	70	20	BGID	
CC(C)OC(=O)c1ccc(F)c(Cl)c1F	218181556	JAKHGLXAQAIUDB-UHFFFAOYSA-N	234.629	3.183	70	20	BGID	
C[C@H](Nc1ncnc2ccccc12)C1CCC1	159963344	KPJWZGBCIJYSTD-JTQLQIEISA-N	227.311	3.230	70	20	BGID	
C[C@@H](N[C@@H]1CCCC1(C)C)c1cscn1	161219885	KJKVLTOFLQMDKB-MWLCHTKSSA-N	224.373	3.372	70	20	BGID	
CC[C@H](SC)c1nc(C(C)(C)C)no1	161256216	HEPXPPBGXCYWGH-ZETCQYMHSA-N	214.334	3.181	70	20	BGID	
Cc1ccc([C@@H](C)NC(=O)NC2(C)CCC2)cc1	159668313	IMVPUUJTYWGGPB-GFCCVEGCSA-N	246.354	3.298	70	20	BGID	
Cc1ccc(F)cc1NC(=O)N1CCCCC1	160301675	YFMFSBAQPHMFEE-UHFFFAOYSA-N	236.290	3.152	70	20	BGID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccccn1	160937478	LDGDMNVPXPAZBL-GXTWGEPZSA-N	246.354	3.122	70	20	BGID	
CCCSCCC(=O)N(C)c1ccccc1	160099975	BMORQKXPRZHQEH-UHFFFAOYSA-N	237.368	3.183	70	20	BGID	
C[C@H]1CCC[C@@H](CNc2ccccn2)C1	217921317	KVFVPYLESADDJP-NWDGAFQWSA-N	204.317	3.320	70	20	BGID	
Cc1cc(C(=O)OC2CCCC2)sc1C	218475965	CVEZBKZLCNPGAY-UHFFFAOYSA-N	224.325	3.464	70	20	BGID	
C[C@H](N[C@H](C)C1CC1)c1ccnc(Cl)c1	160130153	PIQDXICJOSWLKW-BDAKNGLRSA-N	224.735	3.184	70	20	BGID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccoc1	161103447	VQUZOOKNEPBIPQ-WCQYABFASA-N	235.327	3.320	70	20	BGID	
CC[C@@H](C)CN(C)C(=O)C[C@@H](C)c1ccncc1	160535618	OYARYTJIHCKCFR-CHWSQXEVSA-N	248.370	3.080	70	20	BGID	
Cc1ccc(CNC(=O)NC2(C)CCC2)c(C)c1	159594644	BRFXHQNHTHVZPI-UHFFFAOYSA-N	246.354	3.045	70	20	BGID	
Cc1ccc(C(=O)CCN2CC[C@@H](C)[C@@H]2C)cc1	160001248	DRVDMIXIRSQHMW-KGLIPLIRSA-N	245.366	3.298	70	20	BGID	
CCc1ccc([C@H](C)N[C@H](C)C2CC2)o1	160147074	GDILJZTXFQWROS-ZJUUUORDSA-N	207.317	3.291	70	20	BGID	
CCCn1c(-c2ccn(C)c2)nc2ccccc21	160263360	UCCGSZXVMNYWNG-UHFFFAOYSA-N	239.322	3.452	70	20	BGID	
C[C@@H]1CCC[C@H](CNc2ccccn2)C1	217921403	KVFVPYLESADDJP-NEPJUHHUSA-N	204.317	3.320	70	20	BGID	
CCCC(C)(C)NC(=O)c1cc(C)c(C)o1	159610995	DWWAZMFTUBXLBP-UHFFFAOYSA-N	223.316	3.205	70	20	BGID	
CC(C)[C@H](C)NC[C@H](C)N(C)Cc1ccccc1	160860649	OWTLGCDBEMSAOF-GJZGRUSLSA-N	248.414	3.141	70	20	BGID	
CCCCCOC(=O)c1ccccc1C(C)=O	218357307	RYSMREJYCRRENA-UHFFFAOYSA-N	234.295	3.236	70	20	BGID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccoc1	161103118	VQUZOOKNEPBIPQ-YPMHNXCESA-N	235.327	3.320	70	20	BGID	
CC1(C)[C@@H]2C[C@@H]1CC=C2COC(=O)C1CCC1	218540532	CBUQNVLGYLSMCY-QWHCGFSZSA-N	234.339	3.322	70	20	BGID	
CCc1noc(C)c1CSCCOC(C)C	159772425	DBGDYZICSFVDKO-UHFFFAOYSA-N	243.372	3.204	70	20	BGID	
CCCCC(=O)N[C@@H]1CCCc2sccc21	159954404	DIYXVPBQHCAXNR-LLVKDONJSA-N	237.368	3.432	70	20	BGID	
CCCCN(C)c1ccncc1Br	159950198	VEUCZXMEDILOKB-UHFFFAOYSA-N	243.148	3.080	70	20	BGID	
CS[C@@H](C)CC(=O)N1C[C@H](C)c2ccccc21	159449065	IZBWBEUYXZMDJL-QWRGUYRKSA-N	249.379	3.278	70	20	BGID	
CCC(CC)CNC(=O)N1C[C@@H](C)C[C@@H](C)C1	160592245	OPGVTXPTQBBQOT-TXEJJXNPSA-N	240.391	3.110	70	20	BGID	
CCC(C)(CC)C(=O)Nc1ccnc(C)c1	159516494	ZICYHVKQFRAWEK-UHFFFAOYSA-N	220.316	3.155	70	20	BGID	
C[C@H]1CCC[C@H](CNc2ccccn2)C1	217921490	KVFVPYLESADDJP-RYUDHWBXSA-N	204.317	3.320	70	20	BGID	
C[C@H]1CCC[C@@H](CN(C)CCc2ccncc2)C1	161251999	YZMGTJDJOHMLFA-GOEBONIOSA-N	246.398	3.382	70	20	BGID	
Cc1ccc(C(=O)Oc2ccc(F)cc2)c(F)c1	217633551	LSZXSZAKBCJRCJ-UHFFFAOYSA-N	248.228	3.492	70	20	BGID	
C[C@H](C(=O)N1CCc2c(Cl)cccc21)C1CC1	161440532	YNUBFRORDHGLQV-VIFPVBQESA-N	249.741	3.275	70	20	BGID	
CC[C@H](C)N(C)c1nc2cc(F)ccc2o1	160441203	JDFUQNGPUDCVLH-QMMMGPOBSA-N	222.263	3.202	70	20	BGID	
CC[C@@H](C)C(=O)N1CCc2c(Cl)cccc21	161501948	MOYWCXVWQDZBHP-SECBINFHSA-N	237.730	3.275	70	20	BGID	
CCC[C@@H](CC)Nc1ncccc1OC	159464243	NVWJTTLMPSEEQR-SNVBAGLBSA-N	208.305	3.081	70	20	BGID	
C[C@H](N[C@H](C)CC(F)(F)F)c1ccco1	160220023	MKLSAPOCTJHENN-SFYZADRCSA-N	221.222	3.271	70	20	BGID	
C[C@@H](N[C@H]1CCC[C@H](N(C)C)C1)C1CCCC1	161121418	RREYDCZZKHKWQB-SNPRPXQTSA-N	238.419	3.028	70	20	BGID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1C1CC1	161326711	ZTYTZWWMIFDIFF-NGFQHRJXSA-N	249.398	3.460	70	20	BGID	
CC(C)C[C@@H]1CCC[C@@H](S(=O)(=O)Cl)C1	230791359	QPOQVAQAQFDYPU-VHSXEESVSA-N	238.780	3.160	70	20	BGID	
CCC[C@@H](C)CC(=O)NCC1(C2CC2)CC1	159851401	KWDAPPSRDZZDOF-LLVKDONJSA-N	223.360	3.119	70	20	BGID	
Cc1cc(NC(=O)C2(C)CC2)c2ccccc2n1	160955517	GHJVANRBXSUAAX-UHFFFAOYSA-N	240.306	3.282	70	20	BGID	
CCOCCCN(C(C)C)C1CCCCC1	160120995	UEJVGRWNRHLIBQ-UHFFFAOYSA-N	227.392	3.456	70	20	BGID	
C[C@H](CN[C@H](C)c1cscn1)C(C)(C)C	161200722	HEXJURMFDHNPKG-NXEZZACHSA-N	226.389	3.476	70	20	BGID	
Cc1cccc2c1CC[C@@H]2N[C@H]1CCCSC1	159536474	NMZVOASJNOUKGV-WFASDCNBSA-N	247.407	3.468	70	20	BGID	
CC[C@@H](c1ccccc1)N(C)CCOCC1CC1	159756400	ZWZHBOJXBVQUEH-INIZCTEOSA-N	247.382	3.496	70	20	BGID	
CC[C@@H]1CCC[C@@H]1NC(=O)CCCCSC	159583461	WHNRCLLXZLRUBY-NEPJUHHUSA-N	243.416	3.215	70	20	BGID	
O=C(CC1CC1)N[C@@H]1CCCc2sccc21	159893583	PBYHOKZYKNJLOT-LLVKDONJSA-N	235.352	3.042	70	20	BGID	
CC(C)CCNc1ncccc1OC(C)C	160196429	AHGUZSPVBHNROW-UHFFFAOYSA-N	222.332	3.327	70	20	BGID	
CSC[C@H](C)NC(=O)C1CCC(C)(C)CC1	160549985	GKBHHRDYPPLBSG-JTQLQIEISA-N	243.416	3.071	70	20	BGID	
CC[C@@H](NCCCOC)c1ccc(F)cc1F	160653788	MAUGTQKJJVAMME-CYBMUJFWSA-N	243.297	3.042	70	20	BGID	
C[C@H]1CC[C@@H](C)N1c1nc2cc(F)ccc2o1	161409328	KJCPBKFEUQLAOQ-DTORHVGOSA-N	234.274	3.344	70	20	BGID	
O=C(CC1CCCCC1)N1[C@H]2C=CC[C@H]1CC2	218734727	VFLCDJIEHHZJTD-KBPBESRZSA-N	233.355	3.276	70	20	BGID	
CCN(CC(C)C)C(=O)c1c(C)oc(C)c1C	160052035	OTMLCKKCYQHZIH-UHFFFAOYSA-N	237.343	3.323	70	20	BGID	
CCc1noc(C)c1CNc1ccccc1	159366201	VCDPDNSIAKHQTG-UHFFFAOYSA-N	216.284	3.158	70	20	BGID	
CCCCN(C)C(=O)c1ccccc1CC	160757979	MGKLUZHEYKEINU-UHFFFAOYSA-N	219.328	3.121	70	20	BGID	
Cc1cc(NCCc2ccc(F)cc2)ccn1	160913025	PBORLESYVPYAMZ-UHFFFAOYSA-N	230.286	3.184	70	20	BGID	
CCC(C)(CC)C(=O)N1CC[C@H](C)[C@@H](C)C1	159407956	XCAPXVUQAKCNDC-RYUDHWBXSA-N	225.376	3.317	70	20	BGID	
CC[C@H]1C[C@H](N[C@H](C)c2ccccc2)CCO1	159802346	AKPYIYDQCMXAKN-YUELXQCFSA-N	233.355	3.295	70	20	BGID	
CC(C)CCN(C)C(=O)C[C@H](C)c1ccncc1	159677501	VGHMIWUAJRLPJU-ZDUSSCGKSA-N	248.370	3.080	70	20	BGID	
CCCC[C@H](CC)CS[C@H](C)CO	160767431	RUCMEPRKKVRNDV-MNOVXSKESA-N	204.379	3.317	70	20	BGID	
C[C@H]1CCC[C@H](CN(C)CCc2ccncc2)C1	161251767	YZMGTJDJOHMLFA-HOCLYGCPSA-N	246.398	3.382	70	20	BGID	
COC(=O)c1ccc(CSC(C)C)s1	159759698	LXSLUXQEBDYFCF-UHFFFAOYSA-N	230.354	3.176	70	20	BGID	
CCC[C@H](C)N(C)Cc1cc(O)cc(F)c1	159820641	SDKBWWCSSKAHCL-JTQLQIEISA-N	225.307	3.152	70	20	BGID	
CC(C)(C)OC(=O)NCCSC(C)(C)C	218015692	YXUWNPAVCDGVEO-UHFFFAOYSA-N	233.377	3.043	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1C	161006371	PBZKDYMIKOOTNY-KYEXWDHISA-N	237.387	3.460	70	20	BGID	
Cn1c(NCCC(C)(C)C)nc2ccccc21	161082056	HKUYFJUGBCOLMW-UHFFFAOYSA-N	231.343	3.421	70	20	BGID	
CCSCC[C@@H](C)N[C@H](C)c1cscn1	161216502	QNTPHSCEGIIMPT-NXEZZACHSA-N	244.429	3.325	70	20	BGID	
FCCNCc1c(Cl)cccc1Cl	217889813	NWYNWXXAHAWWQT-UHFFFAOYSA-N	222.090	3.053	70	20	BGID	
CSc1ccc(NC(=O)C2(C)CC2)cc1	159730983	ODQYUWQJAZMFHK-UHFFFAOYSA-N	221.325	3.147	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(F)cc(F)c1	160280717	OZTLYDZTDJMRLA-AAEUAGOBSA-N	239.265	3.340	70	20	BGID	
COC(=O)c1cccc(CSCCCF)c1	161101400	VRURWGCJNZALGZ-UHFFFAOYSA-N	242.315	3.066	70	20	BGID	
C[C@@H](NCc1ccsc1)c1cscn1	161156012	WJFXMJQZVXQOHL-MRVPVSSYSA-N	224.354	3.055	70	20	BGID	
COc1cc(NCc2occc2C)ccc1F	159907653	SNIPDKQFOYUQRQ-UHFFFAOYSA-N	235.258	3.348	70	20	BGID	
CC(C)(C)NC(=O)N1CC=C(C(C)(C)C)CC1	160801242	DNMFETJHSUUGRK-UHFFFAOYSA-N	238.375	3.173	70	20	BGID	
CC(C)CCC[C@H](NCCO)c1ccccc1	159716233	AJMALNYIZISHHT-HNNXBMFYSA-N	235.371	3.136	70	20	BGID	
CCC(C)(C)C(=O)Nc1cc(C2CC2)nc(C)n1	160184796	DZPRBFOUUTVCGG-UHFFFAOYSA-N	247.342	3.037	70	20	BGID	
CC[C@@H](C)C(=O)Nc1cccc(OCCF)c1	160608523	VRBAMYUHTSPNLE-SNVBAGLBSA-N	239.290	3.020	70	20	BGID	
Cc1cccc(C(=O)N2CCC[C@H]2C(C)C)c1F	161508506	LJOXECUPTARLQG-ZDUSSCGKSA-N	249.329	3.395	70	20	BGID	
CCCC[C@H](C)C(=O)N(CCC)CCC	218528740	XYFGNUPXRMZPNT-LBPRGKRZSA-N	213.365	3.461	70	20	BGID	
CC(C)OCCCN(C)c1ccccc1F	160020130	ZGWRNIWQIVIREW-UHFFFAOYSA-N	225.307	3.077	70	20	BGID	
CCCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C	161470956	HCZZOGBIHPWXOU-UHFFFAOYSA-N	247.298	3.025	70	20	BGID	
CC[C@H](Nc1ccc(C)nc1)c1ccc(F)cn1	161350599	DKGUJNVVCOYDQB-ZDUSSCGKSA-N	245.301	3.487	70	20	BGID	
CCCNC(=O)NCCCCCCC(C)C	217922200	GHJUURJZBXWGIB-UHFFFAOYSA-N	228.380	3.302	70	20	BGID	
Cc1cnccc1NC(=O)[C@H](C)c1ccsc1	159392061	MYRXHSCLWNCZCW-SNVBAGLBSA-N	246.335	3.194	70	20	BGID	
Cc1nc(NC(=O)CCC(C)C)cc(C2CC2)n1	160166601	KCCCVQMHIBNJIT-UHFFFAOYSA-N	247.342	3.037	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)N(C)Cc1cccc(F)c1	159477431	OEKQPRFOHUOFAV-ZFWWWQNUSA-N	249.329	3.220	70	20	BGID	
CCOCCCN1CCC[C@H]1C1CCCC1	159506634	GESWEOCCMFVNBW-AWEZNQCLSA-N	225.376	3.068	70	20	BGID	
CCCCCNC(=O)NCCC1CCCCC1	217305133	XMENCTXQKMPXKH-UHFFFAOYSA-N	240.391	3.446	70	20	BGID	
O=C(Nc1cc(F)cc(F)c1)C1=CCCC1	160235934	HSZUTWZDUVNPAW-UHFFFAOYSA-N	223.222	3.014	70	20	BGID	
C[C@H](N[C@H]1CCC[C@@H](C)C1)c1cscn1	161169641	AJRKJDPCCWUFJQ-VWYCJHECSA-N	224.373	3.372	70	20	BGID	
C[C@@H](NC[C@@H]1CC=CCC1)c1cscn1	161174097	DDQCJEXQYQOIFT-GHMZBOCLSA-N	222.357	3.150	70	20	BGID	
CC(C)(C)C[C@H](CO)Nc1nc2ccccc2o1	161423541	ARIFNLBXGWRCGF-SNVBAGLBSA-N	248.326	3.037	70	20	BGID	
CC[C@H](c1ccccc1)N(C)C[C@@H]1CCC[C@@H]1O	159477802	JPGKJQJSGGOEAH-XHSDSOJGSA-N	247.382	3.231	70	20	BGID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cscc1C	159710896	WCFADXDZSSEEDN-PWSUYJOCSA-N	237.368	3.365	70	20	BGID	
Cc1ccc(NC(=O)N[C@H](C)CCC(C)C)cn1	161300640	VAIYXXRJYDZQKD-GFCCVEGCSA-N	249.358	3.336	70	20	BGID	
CCNC(=O)Nc1cc(Cl)c(C)cc1Cl	159471349	OUZUEEWJLKGZPD-UHFFFAOYSA-N	247.125	3.443	70	20	BGID	
CC(C)C[C@H](C)NC(=S)Nc1ccccc1	159573765	VSJIJWQBCJSFLN-NSHDSACASA-N	236.384	3.408	70	20	BGID	
CCOc1ccc(OCc2nccs2)cc1	161124195	WGZSNCMXHQHOTR-UHFFFAOYSA-N	235.308	3.121	70	20	BGID	
COCCSCc1c(C)cccc1C	161312757	XBSWWGWXIWQMOW-UHFFFAOYSA-N	210.342	3.183	70	20	BGID	
COCCCN(c1ccccc1C)C(C)C	216926653	SVULNBNHYVIWIM-UHFFFAOYSA-N	221.344	3.246	70	20	BGID	
c1ccc(-c2cnn(Cc3nccs3)c2)cc1	161281318	WJKGVDUDXNZPIS-UHFFFAOYSA-N	241.319	3.055	70	20	BGID	
CO[C@@H]1CCCC[C@H]1N[C@@H]1CCCC[C@@H]1C	217863943	OLQHVRZNHAUOHK-REWJHTLYSA-N	225.376	3.112	70	20	BGID	
O=C(c1ccc(Cl)cc1)N1[C@H]2C=CC[C@H]1CC2	218693184	VFHJWWWCQCKIED-STQMWFEESA-N	247.725	3.273	70	20	BGID	
COc1ccc(CNc2ccnc(C)c2)cc1	160911957	UYKMEOMYNCSSSE-UHFFFAOYSA-N	228.295	3.011	70	20	BGID	
COc1cccnc1NC[C@@H](C)C(C)(C)C	160259613	SICMROACMMAOML-SNVBAGLBSA-N	222.332	3.184	70	20	BGID	
CCCCN(CC)C(=O)[C@@H]1C[C@@]1(C)CC	160735532	KXJAKKRLKZVMEU-WCQYABFASA-N	211.349	3.071	70	20	BGID	
C[C@H](CNc1nc2ccccc2n1C)C1CC1	161082588	YAYKMIZTANVMBV-SNVBAGLBSA-N	229.327	3.031	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1nc(C)c(C)s1	159668920	LQNXKXPFHBPNPJ-BXKDBHETSA-N	238.356	3.135	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(Cl)cn1	159879827	UAPGOJZRSIPYBB-CABZTGNLSA-N	238.718	3.110	70	20	BGID	
O=C(CC1CCC1)N[C@@H]1CCCc2sccc21	160267810	IUCYCEDZCDANFX-GFCCVEGCSA-N	249.379	3.432	70	20	BGID	
CCCC[S@](=O)c1ncc(C(C)(C)C)s1	160487114	JRZNDUDQSYPHPR-OAHLLOKOSA-N	245.413	3.348	70	20	BGID	
Cc1cc(C(=O)N2CCC[C@H](C)C2)cc(C)c1F	160964496	FJQYUZHHCHSQHU-JTQLQIEISA-N	249.329	3.315	70	20	BGID	
CC(C)[C@@H](C)NCC1(c2ccc(F)cc2)CC1	161354233	QTACGGQMISWJFM-GFCCVEGCSA-N	235.346	3.491	70	20	BGID	
CCCC[C@@H](C)CI	113680299	FXYMWEXIZCQUFK-SSDOTTSWSA-N	226.101	3.248	70	20	BGID	
Cc1cc(N[C@@H](C)c2ccc(F)cc2)nn1C	159572546	YXTPXVLOWGDPNL-JTQLQIEISA-N	233.290	3.041	70	20	BGID	
CC[C@H](NCCOc1ccccc1C)C1CC1	161361106	QWPRDUZLFXQXCZ-AWEZNQCLSA-N	233.355	3.152	70	20	BGID	
CCCCCOC(=O)c1cc(F)cnc1Cl	218160756	NPIXMHOCGQGGFE-UHFFFAOYSA-N	245.681	3.221	70	20	BGID	
CCC(C)(CC)C(=O)N1CC[C@H](C)[C@H](C)C1	159407685	XCAPXVUQAKCNDC-NWDGAFQWSA-N	225.376	3.317	70	20	BGID	
F[B-](F)(F)c1ccccc1-c1ccccc1	1875251725	BCVQVENKLPMKRS-UHFFFAOYSA-N	221.010	3.408	70	20	BGID	
COc1cccc(CCCN(C)[C@@H](C)C2CC2)c1	159650094	MFWCPWZNMDFFAB-ZDUSSCGKSA-N	247.382	3.358	70	20	BGID	
C[C@H](Nc1ncnc2sccc12)C1CCC1	160027636	LLTBKZPKCWDCPE-QMMMGPOBSA-N	233.340	3.292	70	20	BGID	
C[C@H](CC(=O)N(C)CC(C)(C)C)c1ccncc1	160363608	KPWUYEFQOILYOO-GFCCVEGCSA-N	248.370	3.080	70	20	BGID	
Cc1ccc(SCC(=O)C2CCC2)cc1	161292966	UPGOLPBTEQNUGA-UHFFFAOYSA-N	220.337	3.456	70	20	BGID	
COc1ccc(CN2CCCCCCC2)cc1	217391403	CWWFSCZNGWPZPC-UHFFFAOYSA-N	233.355	3.461	70	20	BGID	
C[C@H](O)CN(C)[C@@H](C)c1ccc(C(C)(C)C)cc1	159535980	WXNFOKJRFFKYGQ-STQMWFEESA-N	249.398	3.358	70	20	BGID	
CN(CCCC1CCCC1)C[C@@H]1CCC[C@@H]1O	159762788	NXTCMKXNCRXSIK-GJZGRUSLSA-N	239.403	3.050	70	20	BGID	
C/C=C/C=C/C(=O)N[C@H]1CCCc2sccc21	160172545	PQONUVZHMKQPGL-CVDZTHMFSA-N	247.363	3.374	70	20	BGID	
CCCSCc1ccc(C(=O)OC)s1	159707471	QFNGBRXAGNBLFR-UHFFFAOYSA-N	230.354	3.178	70	20	BGID	
CCCC[C@H](CC)CS[C@@H](C)CO	160767188	RUCMEPRKKVRNDV-QWRGUYRKSA-N	204.379	3.317	70	20	BGID	
Fc1cccc(NCCSc2ccccc2)n1	218112397	OVUREQUPBYDZLE-UHFFFAOYSA-N	248.326	3.425	70	20	BGID	
C[C@H]1CCC[C@@H](C(=O)NCC2(C3CC3)CC2)C1	159686703	NGQSWUJDPIFBBT-NWDGAFQWSA-N	235.371	3.119	70	20	BGID	
Cc1cccc([C@H](C)NC(=O)c2ccccc2)c1	160326025	MMQCDHDXQTUFBY-ZDUSSCGKSA-N	239.318	3.486	70	20	BGID	
CC1=CCN(c2ncc(Cl)cc2F)CC1	159975330	AOIJIDVCAZMELF-UHFFFAOYSA-N	226.682	3.031	70	20	BGID	
Cc1cccc(C(=O)N(C)[C@H](C)C2CC2)c1F	161453784	IRMXYVLLVPOYOX-SNVBAGLBSA-N	235.302	3.005	70	20	BGID	
CC(C)c1cc(N[C@@H](C)C2CCC2)ncn1	160055751	OYAXKOWPPFSOLN-JTQLQIEISA-N	219.332	3.201	70	20	BGID	
C[C@H](Nc1nc2ccccc2o1)C1CCC1	160061257	BDDKZBXFTQAMPO-VIFPVBQESA-N	216.284	3.428	70	20	BGID	
CCn1cc(CN(C(C)C)C2CCCCC2)cn1	159767976	XNNBJTVRTNTAQX-UHFFFAOYSA-N	249.402	3.446	70	20	BGID	
CCOc1ccccc1N(C)CCCSC	159398227	NOGKNLMEHZNBPL-UHFFFAOYSA-N	239.384	3.275	70	20	BGID	
CCC(C)(C)N(C)Cc1cc(O)cc(F)c1	159843501	UOKIZWLZSYTGQO-UHFFFAOYSA-N	225.307	3.152	70	20	BGID	
C[C@@H](CNc1nc2ccccc2n1C)C1CC1	161082460	YAYKMIZTANVMBV-JTQLQIEISA-N	229.327	3.031	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)N(CC(C)C)C1CC1	161004603	MGXMOLFXYPDZEU-OCCSQVGLSA-N	223.360	3.070	70	20	BGID	
CC[C@H](C)OC(=O)c1ccc(Cl)nc1Cl	217922159	YRFFWJPQDOJPKY-LURJTMIESA-N	248.109	3.344	70	20	BGID	
CC[C@H]1CCC[C@H]1NC(=O)c1cc(C)oc1C	159737274	FDLMFKUZOHPZSU-WCQYABFASA-N	235.327	3.205	70	20	BGID	
CC(C)Oc1ccc(CN[C@H](C)C2(C)CC2)cn1	160091295	JHFYHSKHHITUJQ-GFCCVEGCSA-N	248.370	3.147	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)N1CCc2sccc2C1	160512354	PWAIRCUIRWZUND-BXUZGUMPSA-N	249.379	3.069	70	20	BGID	
CCN(C(=O)c1cccc(C)c1F)C(C)C	161470310	XSBZJOIXLQWOEK-UHFFFAOYSA-N	223.291	3.005	70	20	BGID	
CC[C@H](C)C(=O)N1CCc2c(Cl)cccc21	161502071	MOYWCXVWQDZBHP-VIFPVBQESA-N	237.730	3.275	70	20	BGID	
CCc1ccc([C@@H](C)NC(=O)NCC(C)C)cc1	217269422	VNNZERHROMOKLQ-GFCCVEGCSA-N	248.370	3.265	70	20	BGID	
CCCN(Cc1ccccc1)Cc1c[nH]nc1C	160482186	ABUYDIINAJUXGT-UHFFFAOYSA-N	243.354	3.130	70	20	BGID	
CC(C)(C)C[C@@H](CO)Nc1nccc2occc12	161451924	NJXONHSCMQNNKD-JTQLQIEISA-N	248.326	3.037	70	20	BGID	
CCc1ncnc(NCC2(C(C)C)CC2)c1F	218062811	GOTLJBYTWCXGLD-UHFFFAOYSA-N	237.322	3.026	70	20	BGID	
C1CCC([C@@H]2CCCN2CCOCC2CC2)C1	159505871	SPCFMHMFGIFXRW-HNNXBMFYSA-N	237.387	3.068	70	20	BGID	
Cc1cc(NC[C@@H]2Cc3ccccc32)ccn1	160918398	BLGDSRLPHFWVDW-ZDUSSCGKSA-N	224.307	3.142	70	20	BGID	
Cc1cc(NC[C@@H]2CCC[C@@H](C)C2)nc(C)n1	217929526	YOLLUOVGWHVRCR-ZWNOBZJWSA-N	233.359	3.332	70	20	BGID	
CC[C@H](C)Cn1nc(C2CC2)nc1C1CC1	161424531	XZIOGZVRUYSHKM-VIFPVBQESA-N	219.332	3.079	70	20	BGID	
C[C@@H](C(=O)NCC1(C2CC2)CC1)c1ccsc1	160099991	SJMHXJWJBUSVCB-SNVBAGLBSA-N	249.379	3.158	70	20	BGID	
CCc1ncnc(N[C@H]2CCCC[C@@H]2C)c1F	217955111	NYTIVUMWJAZRAN-ONGXEEELSA-N	237.322	3.169	70	20	BGID	
Cc1cccc([C@H](C)Nc2cc(C)n(C)n2)c1	159576417	PHWWELLAOBUNMN-LBPRGKRZSA-N	229.327	3.210	70	20	BGID	
O=C(CC1CCCCC1)NCC1(C2CC2)CC1	160003538	VNRDLXAOONBCKM-UHFFFAOYSA-N	235.371	3.263	70	20	BGID	
CC(C)n1cccc1C(=O)Nc1ccccc1	160688475	RQTSYBOCZOHJSJ-UHFFFAOYSA-N	228.295	3.321	70	20	BGID	
CC(C)c1nccc(N[C@H]2C=CCCC2)n1	160726328	FJBGXHDGGFYUMP-NSHDSACASA-N	217.316	3.121	70	20	BGID	
C[C@@H](N[C@H](CCO)c1ccccc1)C1CCCC1	161084234	UHSVWAPUIORQAG-CZUORRHYSA-N	247.382	3.278	70	20	BGID	
CC1=C(C(=O)Nc2cscc2C)CCCO1	161174463	XQDMTYSPQXQSDW-UHFFFAOYSA-N	237.324	3.079	70	20	BGID	
c1ccc(-c2nnc(NCC3CC3)s2)cc1	216848750	AMJHRXKNXTUDEM-UHFFFAOYSA-N	231.324	3.027	70	20	BGID	
CCc1ncnc(N[C@H](C)[C@@H](C)CC)c1F	217988489	UYSSFLLHUPNYNB-DTWKUNHWSA-N	225.311	3.025	70	20	BGID	
Cc1cccc([C@H](C)NC(=O)c2ccco2)c1	160324155	REKMOKZJNQHWRM-NSHDSACASA-N	229.279	3.079	70	20	BGID	
Cc1cccc(F)c1NC(=O)N1CCCCC1	160840794	UGHAHPDCVIZXCD-UHFFFAOYSA-N	236.290	3.152	70	20	BGID	
C[C@@H]1CCC[C@H](CNC(=O)NC2CCCC2)C1	218048756	RXYZKRGKZIYJNB-NEPJUHHUSA-N	238.375	3.055	70	20	BGID	
CC1(C)C[C@H]1C(=O)N[C@H]1CCCc2sccc21	160237114	YABVXOJKMSVBBC-QWRGUYRKSA-N	249.379	3.288	70	20	BGID	
Cc1ccc(CN[C@@H](C)CC(F)(F)F)s1	160943581	BRWXZCMTUFVLAF-ZETCQYMHSA-N	237.290	3.487	70	20	BGID	
CS[C@@H](C)CC(=O)N(C1CC1)[C@H](C)C(C)C	161036780	MUFAAJDYFJZOGM-WDEREUQCSA-N	243.416	3.164	70	20	BGID	
C[C@@H]1CCCN(Cc2csc(C3CC3)n2)C1	161258264	TWCABEMDODFKFZ-SNVBAGLBSA-N	236.384	3.252	70	20	BGID	
C[C@H](CO)SCCSc1ccc(F)cc1	161191594	YGEJKZZNHTWTDK-SECBINFHSA-N	246.372	3.032	70	20	BGID	
CCC[C@@H](C(=O)N1CCC[C@@H](C)C1)C(C)C	160962509	NAQCRHLEKNGOMQ-CHWSQXEVSA-N	225.376	3.317	70	20	BGID	
C[C@H](N[C@@H]1CCC[C@H](N(C)C)C1)c1ccccc1	161031933	JLOMSGGBYSSRLP-IMJJTQAJSA-N	246.398	3.210	70	20	BGID	
CS[C@H](C)CC(=O)NC[C@@H]1CCCC[C@H]1C	161110384	KUSZCFQDDACIDG-UTUOFQBUSA-N	243.416	3.071	70	20	BGID	
O=C(OCCC1CC1)c1ccc2c(c1)CCCN2	217736208	CJLGAYLQJXWGDF-UHFFFAOYSA-N	245.322	3.002	70	20	BGID	
CCOCCCN(c1ccccc1)C(C)C	159523278	ZYSIUBLLYUMMOX-UHFFFAOYSA-N	221.344	3.328	70	20	BGID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cc(C)oc1C	159737140	FDLMFKUZOHPZSU-DGCLKSJQSA-N	235.327	3.205	70	20	BGID	
CC[C@@H](C(=O)NCCC1CC1)c1ccc(F)cc1	160538970	OZOHDJABPBFGAP-CQSZACIVSA-N	249.329	3.236	70	20	BGID	
CC(C)c1ccc(C(=O)N2CCC[C@@H](C)C2)cn1	160925148	GRVBJXFAMHBGHW-GFCCVEGCSA-N	246.354	3.077	70	20	BGID	
CC[C@H](C(=O)NC1CC=CC1)c1ccccc1	160868831	DWCWJWKGOAOVPT-AWEZNQCLSA-N	229.323	3.015	70	20	BGID	
CCCC(=O)N(C)[C@H]1CCCC[C@@H]1CC	160939654	HHQLXWNXMUFCLS-RYUDHWBXSA-N	211.349	3.214	70	20	BGID	
CCc1ccc(CNC2(C)CCC2)cc1	160003655	CFHKIKZNBDNVAL-UHFFFAOYSA-N	203.329	3.281	70	20	BGID	
O=C(NC1(c2ccccc2)CCC1)C1=CCCC1	160217389	JQUVCZXFUZMVTH-UHFFFAOYSA-N	241.334	3.292	70	20	BGID	
CCC[C@@H](C)C(=O)N1CC[C@@H]2CCCC[C@@H]21	160422848	KEGMTMSOFDESNZ-AGIUHOORSA-N	223.360	3.214	70	20	BGID	
CC(C)=CC(=O)N[C@H]1CCCc2sccc21	159863050	DLFRYDOZYBZAMQ-NSHDSACASA-N	235.352	3.208	70	20	BGID	
CCC[C@H](C(=O)NCc1ccccc1)C(C)C	160596985	LVFFYUQZSXHTLO-AWEZNQCLSA-N	233.355	3.375	70	20	BGID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)CCSC	160784920	XSPRMCWOIZWMFR-RYUDHWBXSA-N	243.416	3.167	70	20	BGID	
CCN(Cc1ccccn1)c1ccccc1C	159448513	INFWFKRRJPIGTK-UHFFFAOYSA-N	226.323	3.417	70	20	BGID	
Fc1ccc(CN2CCCC2)cc1C(F)(F)F	159663764	ZFKYPSBDZYTVDQ-UHFFFAOYSA-N	247.235	3.440	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)NCc1ccc(F)c(C)c1	160398321	JYKAGURRHHJVCB-SWLSCSKDSA-N	249.329	3.187	70	20	BGID	
CC[C@H](NCCCOC)c1ccc(F)cc1F	160653674	MAUGTQKJJVAMME-ZDUSSCGKSA-N	243.297	3.042	70	20	BGID	
Cc1cnccc1NC(=O)CCC(C)(C)C	159387186	BVVCIBOLMGHXKF-UHFFFAOYSA-N	220.316	3.155	70	20	BGID	
CC[C@@H](C)NCCCCc1nc(C)cs1	160687366	RDHDUPDNZBAKQH-SNVBAGLBSA-N	226.389	3.162	70	20	BGID	
C[C@@H](Nc1nc2ccccc2o1)C1CCC1	160061390	BDDKZBXFTQAMPO-SECBINFHSA-N	216.284	3.428	70	20	BGID	
Cn1nccc1CSc1ccc(Cl)cc1	161199106	DHXHZPZPZJHHFL-UHFFFAOYSA-N	238.743	3.366	70	20	BGID	
CC[C@@H](SC)c1nc(C(C)(C)C)no1	161256355	HEPXPPBGXCYWGH-SSDOTTSWSA-N	214.334	3.181	70	20	BGID	
Cc1ccccc1SCC(=O)C1CCC1	161293242	DSOUDTYGZCESFU-UHFFFAOYSA-N	220.337	3.456	70	20	BGID	
CCN(CC(C)C)C(=O)c1cccc(C)c1F	161445830	PSTFZZRXARDUBB-UHFFFAOYSA-N	237.318	3.252	70	20	BGID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(C)oc1C	159736892	FDLMFKUZOHPZSU-YPMHNXCESA-N	235.327	3.205	70	20	BGID	
CCc1ccc(CNC2(C)CCC2)s1	159998300	REDMMOYRUXCOCC-UHFFFAOYSA-N	209.358	3.343	70	20	BGID	
CCCCCCC(=O)OCC(F)(F)C(F)F	217390740	BZFTYHYQKZTKGG-UHFFFAOYSA-N	244.228	3.400	70	20	BGID	
C[C@H](CCn1cccn1)Nc1ccccc1Cl	159386791	VFYOZHSUWDNQGE-LLVKDONJSA-N	249.745	3.427	70	20	BGID	
CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21	160291430	VKSOJIRMOSKWSA-IIAWOOMASA-N	243.350	3.226	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)NCc1ccccc1C	159841586	VXXZPJGOVKEDKU-ZFWWWQNUSA-N	231.339	3.047	70	20	BGID	
CCC1CCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1	161224800	DGAOPIHJWCPAIX-JSGCOSHPSA-N	237.387	3.461	70	20	BGID	
COc1cc(N[C@H](C)c2ccncc2)ccc1F	159981172	SILDQMLZJYVWLK-SNVBAGLBSA-N	246.285	3.402	70	20	BGID	
O=C(NCCCF)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	160042094	JIFJKQDFZSRIEP-YNEHKIRRSA-N	241.350	3.069	70	20	BGID	
CCC[C@@H](C(=O)N1CCCCC1)C(C)C	160444009	XUPISNLKNJICBA-GFCCVEGCSA-N	211.349	3.071	70	20	BGID	
Cc1cc(NC(=O)CCC(C)(C)C)ccn1	159923631	MDCMMFHDCLSZHQ-UHFFFAOYSA-N	220.316	3.155	70	20	BGID	
COc1cccnc1NCc1cscc1C	160251726	JHEMPYOISIFVNM-UHFFFAOYSA-N	234.324	3.072	70	20	BGID	
CCCN(CC1=CCCOC1)Cc1ccccc1	160480208	DLPNECUQBVHLRK-UHFFFAOYSA-N	245.366	3.245	70	20	BGID	
CC(C)c1nccc(N[C@@H]2C=CCCC2)n1	160726459	FJBGXHDGGFYUMP-LLVKDONJSA-N	217.316	3.121	70	20	BGID	
CC(C)=CCOC(=O)c1ccc(F)c(F)c1	217402723	NBHJRHBOOGCCMV-UHFFFAOYSA-N	226.222	3.088	70	20	BGID	
CCC1(CC)CCN(C(=O)N2CCCC2)CC1	160552745	GZOZSDYVQLQCNJ-UHFFFAOYSA-N	238.375	3.104	70	20	BGID	
CCCCN[C@@H](C)Cc1ccccc1F	160894542	KORDUXTXGZZAFE-NSHDSACASA-N	209.308	3.146	70	20	BGID	
CCCC(=O)N(C)[C@@H]1CCCC[C@@H]1CC	160939521	HHQLXWNXMUFCLS-NWDGAFQWSA-N	211.349	3.214	70	20	BGID	
CCC[C@H](C(=O)N1CCC[C@H](C)C1)C(C)C	160962173	NAQCRHLEKNGOMQ-STQMWFEESA-N	225.376	3.317	70	20	BGID	
CC[C@@H](CSC)NCCCC(C)C	217330777	PYQHPKUXEXDWGL-NSHDSACASA-N	203.395	3.154	70	20	BGID	
CCC[C@@H](C(=O)NCCc1ccco1)C(C)C	160550737	MFRZBCFSDURUPX-CYBMUJFWSA-N	237.343	3.011	70	20	BGID	
C[C@@H](NC[C@]1(C)CCCS1)c1cscn1	161225066	FANIQWNHZARUAJ-KOLCDFICSA-N	242.413	3.079	70	20	BGID	
CCCCN(CC)C(=O)[C@H]1C[C@]1(C)CC	160735861	KXJAKKRLKZVMEU-YPMHNXCESA-N	211.349	3.071	70	20	BGID	
CC(C)(C)c1ccc(NC(=O)C(F)F)cc1	217604636	ZIAFZHRAWISGTC-UHFFFAOYSA-N	227.254	3.188	70	20	BGID	
COc1cccnc1NCc1ccc(C)s1	159448180	LCFBLTOXCHHZFM-UHFFFAOYSA-N	234.324	3.072	70	20	BGID	
CCC(C)(CC)C(=O)NC1Cc2ccccc2C1	159488155	FYZZLBSTKBICFK-UHFFFAOYSA-N	245.366	3.096	70	20	BGID	
CCCCNC(=O)N1CCC(CC)(CC)CC1	160552235	YOPDRNGPHDWNNH-UHFFFAOYSA-N	240.391	3.398	70	20	BGID	
CC[C@H]1CCCC[C@@H]1NCCCn1ccnc1C	161412428	NPGCDNCPTIGXKL-GJZGRUSLSA-N	249.402	3.140	70	20	BGID	
Cc1cc(F)ccc1N[C@H](C)CCn1cccn1	159362825	ZLOZFPBGMLGFHU-GFCCVEGCSA-N	247.317	3.221	70	20	BGID	
CC[C@H]1CCCC[C@H]1NCCCn1ccnc1C	161412686	NPGCDNCPTIGXKL-LSDHHAIUSA-N	249.402	3.140	70	20	BGID	
CC(C)(C)c1nsc(N[C@H]2C=CCCC2)n1	159949598	DHCQNUBOUPDKFF-VIFPVBQESA-N	237.372	3.356	70	20	BGID	
CC(C)[C@@H](CCc1ccccc1)NCC(C)(C)O	160639876	NNFWSLIVRVQMPD-OAHLLOKOSA-N	249.398	3.004	70	20	BGID	
CCC1CCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1	161224909	DGAOPIHJWCPAIX-TZMCWYRMSA-N	237.387	3.461	70	20	BGID	
CC[C@@]1(C)C[C@@H]1C(=O)N(C)Cc1ccc(C)cc1	159485494	CPEFLDKKYCSPNB-ZBFHGGJFSA-N	245.366	3.390	70	20	BGID	
C[C@H]1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1	218006987	OWVRNTVJFYDWTO-RYUDHWBXSA-N	249.329	3.382	70	20	BGID	
CC[C@H]1CCC[C@H]1NC(=O)c1sccc1C	159530299	UMSONIHSDVBGAI-WDEREUQCSA-N	237.368	3.365	70	20	BGID	
CC1(C(=O)N[C@H]2CCCc3sccc32)CCC1	160154520	KESMMEWEKHASKJ-NSHDSACASA-N	249.379	3.432	70	20	BGID	
CC(C)=CCN1CCC[C@H]1c1cccc(C)n1	159859919	MDYBIBIAMMVUKF-HNNXBMFYSA-N	230.355	3.493	70	20	BGID	
CCc1csc(N[C@@H](C)C2CCC2)n1	160065613	PWUBOVDUBNKVMZ-QMMMGPOBSA-N	210.346	3.306	70	20	BGID	
COc1ccc(Nc2nc(C)cs2)cc1F	160647857	SEBHEULKRUNNMY-UHFFFAOYSA-N	238.287	3.343	70	20	BGID	
CCCCNC(=O)[C@H](CCCC)C(C)C	217852612	BLPDSQRNHRSHSO-GFCCVEGCSA-N	213.365	3.365	70	20	BGID	
O=C(OCCCC1CCCCC1)C1CC1	218545655	NISZWIMIWBYBOK-UHFFFAOYSA-N	210.317	3.300	70	20	BGID	
CC(C)CCCN[C@H](C)c1cscn1	161148134	PHWCMRNGZIEQNJ-SNVBAGLBSA-N	212.362	3.230	70	20	BGID	
CC(C)n1cccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1	161325691	YCHNMGAZWHPSTK-BETUJISGSA-N	248.370	3.187	70	20	BGID	
CN(CCC1CCCC1)CCC(F)(F)F	159593906	RQFBOVILHHNWAV-UHFFFAOYSA-N	223.282	3.451	70	20	BGID	
C[C@H](NC(=S)Nc1ccccc1)C1CCC1	160038318	REKLAIFLCHGVCJ-JTQLQIEISA-N	234.368	3.162	70	20	BGID	
O=C(/C=C/c1cccs1)NCC1(C2CC2)CC1	160216616	YELBWGIBCLGRLK-AATRIKPKSA-N	247.363	3.068	70	20	BGID	
CCN(C)C(=O)N1CCC2(CCCCC2)CC1	160532377	PPTSQRXRNZZXDW-UHFFFAOYSA-N	238.375	3.104	70	20	BGID	
C[C@@H](CC(=O)N(C)CC(C)(C)C)c1ccncc1	160363473	KPWUYEFQOILYOO-LBPRGKRZSA-N	248.370	3.080	70	20	BGID	
CCCN(CCC)C(=O)/C=C/c1ccc(O)cc1	216630715	OFONTRLXXWZXMY-JXMROGBWSA-N	247.338	3.054	70	20	BGID	
CCC(=O)Nc1ccccc1-c1csc(C)n1	218569961	SCLSEISQQIOZEX-UHFFFAOYSA-N	246.335	3.467	70	20	BGID	
C[C@H]1CC[C@H](C)N1c1nc(C(C)(C)C)ns1	159951476	FSHIKGKUDPTLKA-IUCAKERBSA-N	239.388	3.213	70	20	BGID	
Cc1ccc(F)c(NC(=O)N2CCCCC2)c1	160341869	XFNVXEROHIUPDS-UHFFFAOYSA-N	236.290	3.152	70	20	BGID	
CC(=O)c1cc(F)ccc1N1C[C@H]2CCC[C@@H]2C1	159909309	RTECMPKAPCFPKZ-VXGBXAGGSA-N	247.313	3.265	70	20	BGID	
c1ccc2c(c1)CC[C@@H]2CNC(C1CC1)C1CC1	160966733	ZCRRSVBIOAQURR-OAHLLOKOSA-N	241.378	3.495	70	20	BGID	
CCCCCOc1c(OC)cccc1OC	159575217	XWBJXDAUOXLTGK-UHFFFAOYSA-N	224.300	3.273	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)N(C)c1ccccc1	159856382	GPJQDNPTNBJOOD-GXTWGEPZSA-N	217.312	3.086	70	20	BGID	
CCCC1(CNC(=O)C(C)(C)CC)CC1	160726641	FTHXSRQSWAUUGH-UHFFFAOYSA-N	211.349	3.119	70	20	BGID	
C[C@@H](CC(F)(F)F)N[C@H](C)c1ccco1	160220121	MKLSAPOCTJHENN-JGVFFNPUSA-N	221.222	3.271	70	20	BGID	
CC[C@]1(C)C[C@H]1C(=O)NCc1ccc(C)c(F)c1	160284043	TVTSXAIYYVVVOO-SWLSCSKDSA-N	249.329	3.187	70	20	BGID	
CC[C@H](NC(C)C)c1ccc(F)cc1F	160649405	WQKPEEYWCZMCLD-LBPRGKRZSA-N	213.271	3.414	70	20	BGID	
CC[C@@]1(C)C[C@H]1C(=O)NCc1ccc(C)c(F)c1	160284169	TVTSXAIYYVVVOO-WFASDCNBSA-N	249.329	3.187	70	20	BGID	
Cc1ccccc1CN(C)Cc1cccnc1C	160527783	BOYMYZFQOPWQKY-UHFFFAOYSA-N	240.350	3.330	70	20	BGID	
O=C(CSc1ccccc1F)C1CCC1	161292527	BHKZYWSQDOXSQV-UHFFFAOYSA-N	224.300	3.287	70	20	BGID	
CS[C@@H](C)CC(=O)N1C[C@@H](C)c2ccccc21	159448920	IZBWBEUYXZMDJL-MNOVXSKESA-N	249.379	3.278	70	20	BGID	
CCCCCN(C(=O)CO[C@@H](C)CC)C(C)C	160019387	AMWGSHLMYDMEOC-ZDUSSCGKSA-N	243.391	3.229	70	20	BGID	
O=C(CCC1CCCC1)CSc1ncc[nH]1	160435125	CDWIEFIUJGCDIE-UHFFFAOYSA-N	238.356	3.041	70	20	BGID	
CC[C@@H](C)CNC(=O)C12CC3CC(CC(C3)C1)C2	216783606	KGGYFLBKLBADKL-UWJCENJNSA-N	249.398	3.365	70	20	BGID	
CC[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1C=CCC1	159782451	KLNMQLGDTBFNFJ-XQQFMLRXSA-N	221.344	3.038	70	20	BGID	
CCOc1ccc(N[C@@H](C)C2CC2)cc1F	159423669	XMAWUKLWLJACJT-VIFPVBQESA-N	223.291	3.435	70	20	BGID	
Cc1cccc(F)c1NCC[C@H]1CCCO1	160313185	HJWSWHFHVNEAJC-LLVKDONJSA-N	223.291	3.115	70	20	BGID	
COc1cccc(Cn2cnc3ccccc32)c1	160807408	XEXNBKDTXPMADQ-UHFFFAOYSA-N	238.290	3.093	70	20	BGID	
CCC[C@H](CC)Nc1ncnc(CC)c1F	217994267	QOWKUMDEEKQBBD-VIFPVBQESA-N	225.311	3.169	70	20	BGID	
Cc1cc(N[C@H](C)c2cccc(F)c2)nn1C	159601395	ODUQMKSJGLCVIH-SNVBAGLBSA-N	233.290	3.041	70	20	BGID	
C[C@@H](c1ccccc1)N(C)CCCN1CCCC1	161298245	QTEXBKSAKHSPDT-HNNXBMFYSA-N	246.398	3.165	70	20	BGID	
C[C@@H]1CCC[C@@H](CNC(=O)NC2CCCC2)C1	218048599	RXYZKRGKZIYJNB-VXGBXAGGSA-N	238.375	3.055	70	20	BGID